USER MOD reduce.3.24.130724 H: found=0, std=0, add=1347, rem=0, adj=43 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: A 25 MET CE :methyl 168:sc= -1.38 (180deg=-1.44) USER MOD Set 1.2: B 663 MET CE :methyl -126:sc= -1.76 (180deg=-7.73!) USER MOD Set 2.1: B 652 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 653 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.67) USER MOD Set 3.1: A 75 ASN : amide:sc= -2.1 X(o=-1.5,f=-1.4) USER MOD Set 3.2: B 648 THR OG1 : rot 57:sc= 0.598 USER MOD Set 4.1: B 637 GLN : amide:sc= -0.504 X(o=-1.9,f=-2.1) USER MOD Set 4.2: B 641 GLN : amide:sc= -1.36 K(o=-1.9,f=-3.4!) USER MOD Set 5.1: B 602 MET CE :methyl 155:sc= -0.52 (180deg=-1.91!) USER MOD Set 5.2: B 607 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 92 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 7.1: A 66 ASN : amide:sc= -0.47 X(o=0.71,f=1.2) USER MOD Set 7.2: A 67 THR OG1 : rot 85:sc= 1.18 USER MOD Set 8.1: A 37 MET CE :methyl -175:sc= 0 (180deg=0) USER MOD Set 8.2: A 55 HIS :FLIP no HD1:sc= -0.107 F(o=-0.79,f=-0.11) USER MOD Set 9.1: A 40 GLN : amide:sc= -1.77 K(o=-2.7,f=-5.2!) USER MOD Set 9.2: B 677 HIS : no HD1:sc= -0.954 K(o=-2.7,f=-4.3) USER MOD Set10.1: A 31 GLN : amide:sc= -0.389 X(o=-0.38,f=0) USER MOD Set10.2: A 34 GLN : amide:sc= 0.00443 K(o=-0.38,f=-1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.019 (180deg=-0.275) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00706 X(o=-0.0071,f=-0.09) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 137:sc= -0.773 (180deg=-2.51!) USER MOD Single : A 27 HIS : no HD1:sc= -0.971 X(o=-0.97,f=-0.59) USER MOD Single : A 28 THR OG1 : rot -130:sc= -0.355 USER MOD Single : A 38 SER OG : rot -47:sc= 0.576 USER MOD Single : A 43 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.011) USER MOD Single : A 44 GLN : amide:sc= -0.444 K(o=-0.44,f=-4!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.00833 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= -0.285 (180deg=-0.317) USER MOD Single : A 73 GLN : amide:sc=-0.000269 X(o=-0.00027,f=-0.00039) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.473 USER MOD Single : B 601 SER OG : rot 180:sc= 0 USER MOD Single : B 603 SER OG : rot 22:sc= 0.181! USER MOD Single : B 604 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 606 MET CE :methyl 171:sc= -0.0109 (180deg=-0.0531) 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= -0.313 K(o=-0.31,f=-1.3) USER MOD Single : B 619 MET CE :methyl -177:sc= 0 (180deg=-0.0177) 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 X(o=0,f=-0.42) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= -0.636 X(o=-0.64,f=-0.2) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 656 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : B 658 GLN : amide:sc= -0.855 K(o=-0.85,f=-4.1!) USER MOD Single : B 660 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.4!) USER MOD Single : B 661 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.22) USER MOD Single : B 670 TYR OH : rot -46:sc= 0.102 USER MOD Single : B 671 HIS : no HD1:sc= -0.0691 X(o=-0.069,f=-0.47) USER MOD Single : B 673 MET CE :methyl 171:sc= 0 (180deg=-0.145) USER MOD Single : B 674 SER OG : rot 32:sc= 0.0321 USER MOD Single : B 675 SER OG : rot -156:sc= 1.01 USER MOD Single : B 676 THR OG1 : rot 180:sc= 0.0697 USER MOD Single : B 680 ASN : amide:sc= -0.518 K(o=-0.52,f=-3.4!) USER MOD Single : B 681 THR OG1 : rot 180:sc= 0.0552 USER MOD Single : B 682 MET CE :methyl -123:sc= -2.92 (180deg=-6.83!) 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= 0.072 USER MOD Single : B 694 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.579 -8.288 16.900 1.00 0.00 N ATOM 2 CA MET A 1 16.766 -9.202 17.694 1.00 0.00 C ATOM 3 C MET A 1 15.280 -8.951 17.457 1.00 0.00 C ATOM 4 O MET A 1 14.780 -7.852 17.698 1.00 0.00 O ATOM 5 CB MET A 1 17.091 -9.048 19.180 1.00 0.00 C ATOM 6 CG MET A 1 18.468 -9.568 19.558 1.00 0.00 C ATOM 7 SD MET A 1 19.044 -8.924 21.140 1.00 0.00 S ATOM 8 CE MET A 1 20.648 -9.711 21.263 1.00 0.00 C ATOM 0 H1 MET A 1 18.545 -8.665 16.817 1.00 0.00 H new ATOM 0 H2 MET A 1 17.164 -8.188 15.952 1.00 0.00 H new ATOM 0 H3 MET A 1 17.609 -7.358 17.364 1.00 0.00 H new ATOM 0 HA MET A 1 16.999 -10.220 17.383 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.022 -7.994 19.451 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.339 -9.577 19.765 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.441 -10.657 19.601 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.181 -9.297 18.779 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.131 -9.410 22.193 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.524 -10.794 21.253 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.267 -9.409 20.418 1.00 0.00 H new ATOM 16 N SER A 2 14.578 -9.977 16.986 1.00 0.00 N ATOM 17 CA SER A 2 13.150 -9.866 16.714 1.00 0.00 C ATOM 18 C SER A 2 12.444 -11.194 16.968 1.00 0.00 C ATOM 19 O SER A 2 12.998 -12.264 16.714 1.00 0.00 O ATOM 20 CB SER A 2 12.918 -9.421 15.268 1.00 0.00 C ATOM 21 OG SER A 2 14.028 -9.746 14.449 1.00 0.00 O ATOM 0 H SER A 2 14.975 -10.895 16.785 1.00 0.00 H new ATOM 0 HA SER A 2 12.734 -9.118 17.389 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.021 -9.900 14.876 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.743 -8.345 15.239 1.00 0.00 H new ATOM 0 HG SER A 2 13.854 -9.453 13.530 1.00 0.00 H new ATOM 26 N LEU A 3 11.217 -11.117 17.472 1.00 0.00 N ATOM 27 CA LEU A 3 10.432 -12.312 17.761 1.00 0.00 C ATOM 28 C LEU A 3 8.969 -12.108 17.384 1.00 0.00 C ATOM 29 O LEU A 3 8.325 -11.163 17.839 1.00 0.00 O ATOM 30 CB LEU A 3 10.542 -12.671 19.244 1.00 0.00 C ATOM 31 CG LEU A 3 10.460 -11.503 20.226 1.00 0.00 C ATOM 32 CD1 LEU A 3 9.745 -11.925 21.501 1.00 0.00 C ATOM 33 CD2 LEU A 3 11.851 -10.972 20.543 1.00 0.00 C ATOM 0 H LEU A 3 10.744 -10.240 17.689 1.00 0.00 H new ATOM 0 HA LEU A 3 10.831 -13.132 17.163 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.749 -13.379 19.485 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.489 -13.187 19.403 1.00 0.00 H new ATOM 0 HG LEU A 3 9.885 -10.703 19.760 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.697 -11.080 22.188 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.735 -12.255 21.259 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.291 -12.743 21.971 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.772 -10.141 21.244 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.451 -11.766 20.988 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.327 -10.629 19.625 1.00 0.00 H new ATOM 44 N LEU A 4 8.448 -13.001 16.550 1.00 0.00 N ATOM 45 CA LEU A 4 7.059 -12.922 16.113 1.00 0.00 C ATOM 46 C LEU A 4 6.374 -14.280 16.223 1.00 0.00 C ATOM 47 O LEU A 4 5.426 -14.570 15.493 1.00 0.00 O ATOM 48 CB LEU A 4 6.986 -12.418 14.669 1.00 0.00 C ATOM 49 CG LEU A 4 7.607 -11.046 14.405 1.00 0.00 C ATOM 50 CD1 LEU A 4 8.919 -11.189 13.649 1.00 0.00 C ATOM 51 CD2 LEU A 4 6.638 -10.161 13.635 1.00 0.00 C ATOM 0 H LEU A 4 8.967 -13.789 16.163 1.00 0.00 H new ATOM 0 HA LEU A 4 6.539 -12.220 16.765 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.478 -13.147 14.025 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.938 -12.384 14.370 1.00 0.00 H new ATOM 0 HG LEU A 4 7.815 -10.573 15.364 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.346 -10.202 13.471 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.616 -11.784 14.239 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.737 -11.684 12.695 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.097 -9.189 13.456 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.397 -10.630 12.681 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.725 -10.030 14.216 1.00 0.00 H new ATOM 62 N ASP A 5 6.858 -15.107 17.144 1.00 0.00 N ATOM 63 CA ASP A 5 6.289 -16.433 17.353 1.00 0.00 C ATOM 64 C ASP A 5 6.101 -16.714 18.841 1.00 0.00 C ATOM 65 O ASP A 5 6.198 -17.858 19.284 1.00 0.00 O ATOM 66 CB ASP A 5 7.190 -17.502 16.730 1.00 0.00 C ATOM 67 CG ASP A 5 6.398 -18.590 16.034 1.00 0.00 C ATOM 68 OD1 ASP A 5 5.759 -18.293 15.003 1.00 0.00 O ATOM 69 OD2 ASP A 5 6.420 -19.741 16.518 1.00 0.00 O ATOM 0 H ASP A 5 7.642 -14.882 17.757 1.00 0.00 H new ATOM 0 HA ASP A 5 5.313 -16.464 16.869 1.00 0.00 H new ATOM 0 HB2 ASP A 5 7.865 -17.033 16.014 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.810 -17.948 17.507 1.00 0.00 H new ATOM 73 N ALA A 6 5.830 -15.663 19.607 1.00 0.00 N ATOM 74 CA ALA A 6 5.627 -15.796 21.045 1.00 0.00 C ATOM 75 C ALA A 6 4.143 -15.888 21.383 1.00 0.00 C ATOM 76 O ALA A 6 3.683 -16.887 21.937 1.00 0.00 O ATOM 77 CB ALA A 6 6.267 -14.628 21.779 1.00 0.00 C ATOM 0 H ALA A 6 5.746 -14.709 19.256 1.00 0.00 H new ATOM 0 HA ALA A 6 6.105 -16.720 21.371 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.107 -14.741 22.851 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.337 -14.610 21.571 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.816 -13.695 21.441 1.00 0.00 H new ATOM 83 N HIS A 7 3.398 -14.839 21.046 1.00 0.00 N ATOM 84 CA HIS A 7 1.965 -14.801 21.315 1.00 0.00 C ATOM 85 C HIS A 7 1.171 -14.737 20.014 1.00 0.00 C ATOM 86 O HIS A 7 0.521 -13.733 19.722 1.00 0.00 O ATOM 87 CB HIS A 7 1.621 -13.601 22.196 1.00 0.00 C ATOM 88 CG HIS A 7 0.375 -13.789 23.005 1.00 0.00 C ATOM 89 ND1 HIS A 7 0.355 -13.733 24.382 1.00 0.00 N ATOM 90 CD2 HIS A 7 -0.900 -14.032 22.622 1.00 0.00 C ATOM 91 CE1 HIS A 7 -0.878 -13.934 24.812 1.00 0.00 C ATOM 92 NE2 HIS A 7 -1.659 -14.117 23.763 1.00 0.00 N ATOM 0 H HIS A 7 3.763 -14.005 20.586 1.00 0.00 H new ATOM 0 HA HIS A 7 1.694 -15.716 21.841 1.00 0.00 H new ATOM 0 HB2 HIS A 7 2.455 -13.404 22.869 1.00 0.00 H new ATOM 0 HB3 HIS A 7 1.505 -12.719 21.566 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.255 -14.139 21.608 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -1.193 -13.947 25.845 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -2.663 -14.293 23.795 1.00 0.00 H new ATOM 99 N ILE A 8 1.227 -15.814 19.237 1.00 0.00 N ATOM 100 CA ILE A 8 0.512 -15.880 17.969 1.00 0.00 C ATOM 101 C ILE A 8 -0.656 -16.856 18.046 1.00 0.00 C ATOM 102 O ILE A 8 -0.647 -17.814 18.818 1.00 0.00 O ATOM 103 CB ILE A 8 1.444 -16.302 16.819 1.00 0.00 C ATOM 104 CG1 ILE A 8 1.856 -17.768 16.979 1.00 0.00 C ATOM 105 CG2 ILE A 8 2.672 -15.404 16.773 1.00 0.00 C ATOM 106 CD1 ILE A 8 2.807 -18.250 15.906 1.00 0.00 C ATOM 0 H ILE A 8 1.761 -16.653 19.464 1.00 0.00 H new ATOM 0 HA ILE A 8 0.132 -14.878 17.769 1.00 0.00 H new ATOM 0 HB ILE A 8 0.905 -16.195 15.878 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.324 -17.901 17.954 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.962 -18.391 16.967 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.320 -15.716 15.954 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.362 -14.371 16.617 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.215 -15.481 17.715 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.055 -19.296 16.083 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.334 -18.150 14.929 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.718 -17.652 15.931 1.00 0.00 H new ATOM 117 N PRO A 9 -1.689 -16.609 17.226 1.00 0.00 N ATOM 118 CA PRO A 9 -2.885 -17.456 17.181 1.00 0.00 C ATOM 119 C PRO A 9 -2.602 -18.825 16.573 1.00 0.00 C ATOM 120 O PRO A 9 -1.446 -19.227 16.437 1.00 0.00 O ATOM 121 CB PRO A 9 -3.847 -16.664 16.292 1.00 0.00 C ATOM 122 CG PRO A 9 -2.965 -15.822 15.435 1.00 0.00 C ATOM 123 CD PRO A 9 -1.768 -15.483 16.279 1.00 0.00 C ATOM 0 HA PRO A 9 -3.276 -17.663 18.177 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.467 -17.328 15.690 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.523 -16.050 16.888 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.668 -16.359 14.534 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.482 -14.919 15.111 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.863 -15.399 15.678 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.897 -14.532 16.795 1.00 0.00 H new ATOM 128 N GLN A 10 -3.663 -19.537 16.207 1.00 0.00 N ATOM 129 CA GLN A 10 -3.528 -20.860 15.613 1.00 0.00 C ATOM 130 C GLN A 10 -4.895 -21.458 15.296 1.00 0.00 C ATOM 131 O GLN A 10 -5.737 -21.612 16.181 1.00 0.00 O ATOM 132 CB GLN A 10 -2.758 -21.789 16.555 1.00 0.00 C ATOM 133 CG GLN A 10 -1.705 -22.631 15.854 1.00 0.00 C ATOM 134 CD GLN A 10 -0.834 -23.404 16.823 1.00 0.00 C ATOM 135 OE1 GLN A 10 -0.650 -24.612 16.684 1.00 0.00 O ATOM 136 NE2 GLN A 10 -0.292 -22.707 17.816 1.00 0.00 N ATOM 0 H GLN A 10 -4.626 -19.219 16.312 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.973 -20.756 14.681 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.277 -21.190 17.328 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.464 -22.450 17.057 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.196 -23.330 15.177 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.076 -21.984 15.243 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.471 -21.706 17.894 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.303 -23.173 18.501 1.00 0.00 H new ATOM 143 N LEU A 11 -5.109 -21.792 14.028 1.00 0.00 N ATOM 144 CA LEU A 11 -6.376 -22.373 13.594 1.00 0.00 C ATOM 145 C LEU A 11 -7.545 -21.464 13.958 1.00 0.00 C ATOM 146 O LEU A 11 -8.674 -21.924 14.127 1.00 0.00 O ATOM 147 CB LEU A 11 -6.570 -23.752 14.225 1.00 0.00 C ATOM 148 CG LEU A 11 -5.842 -24.911 13.544 1.00 0.00 C ATOM 149 CD1 LEU A 11 -6.286 -25.044 12.096 1.00 0.00 C ATOM 150 CD2 LEU A 11 -4.335 -24.716 13.627 1.00 0.00 C ATOM 0 H LEU A 11 -4.423 -21.671 13.283 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.347 -22.478 12.509 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.242 -23.703 15.263 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.637 -23.977 14.238 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.098 -25.833 14.066 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.757 -25.874 11.628 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.359 -25.231 12.060 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.061 -24.122 11.560 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.833 -25.550 13.137 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.061 -23.785 13.131 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.031 -24.673 14.673 1.00 0.00 H new ATOM 161 N VAL A 12 -7.267 -20.169 14.077 1.00 0.00 N ATOM 162 CA VAL A 12 -8.296 -19.194 14.418 1.00 0.00 C ATOM 163 C VAL A 12 -8.956 -18.630 13.165 1.00 0.00 C ATOM 164 O VAL A 12 -10.122 -18.238 13.188 1.00 0.00 O ATOM 165 CB VAL A 12 -7.716 -18.033 15.247 1.00 0.00 C ATOM 166 CG1 VAL A 12 -7.072 -18.556 16.522 1.00 0.00 C ATOM 167 CG2 VAL A 12 -6.717 -17.237 14.422 1.00 0.00 C ATOM 0 H VAL A 12 -6.337 -19.771 13.942 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.044 -19.718 15.014 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.532 -17.367 15.528 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.668 -17.721 17.094 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.819 -19.078 17.120 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.266 -19.245 16.267 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.317 -16.421 15.023 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.902 -17.890 14.108 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.215 -16.829 13.542 1.00 0.00 H new ATOM 177 N ALA A 13 -8.200 -18.591 12.072 1.00 0.00 N ATOM 178 CA ALA A 13 -8.711 -18.076 10.808 1.00 0.00 C ATOM 179 C ALA A 13 -8.304 -18.974 9.644 1.00 0.00 C ATOM 180 O ALA A 13 -7.915 -18.490 8.581 1.00 0.00 O ATOM 181 CB ALA A 13 -8.219 -16.656 10.578 1.00 0.00 C ATOM 0 H ALA A 13 -7.232 -18.910 12.037 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.800 -18.067 10.862 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.609 -16.285 9.630 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.565 -16.015 11.389 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.129 -16.649 10.550 1.00 0.00 H new ATOM 187 N SER A 14 -8.394 -20.283 9.853 1.00 0.00 N ATOM 188 CA SER A 14 -8.030 -21.250 8.823 1.00 0.00 C ATOM 189 C SER A 14 -8.880 -21.055 7.572 1.00 0.00 C ATOM 190 O SER A 14 -8.427 -21.306 6.456 1.00 0.00 O ATOM 191 CB SER A 14 -8.195 -22.676 9.350 1.00 0.00 C ATOM 192 OG SER A 14 -7.908 -23.629 8.341 1.00 0.00 O ATOM 0 H SER A 14 -8.716 -20.699 10.727 1.00 0.00 H new ATOM 0 HA SER A 14 -6.985 -21.088 8.560 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.532 -22.832 10.201 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.214 -22.818 9.710 1.00 0.00 H new ATOM 0 HG SER A 14 -8.019 -24.533 8.703 1.00 0.00 H new ATOM 197 N GLN A 15 -10.117 -20.609 7.768 1.00 0.00 N ATOM 198 CA GLN A 15 -11.032 -20.382 6.656 1.00 0.00 C ATOM 199 C GLN A 15 -10.455 -19.368 5.673 1.00 0.00 C ATOM 200 O GLN A 15 -10.539 -19.548 4.458 1.00 0.00 O ATOM 201 CB GLN A 15 -12.386 -19.893 7.173 1.00 0.00 C ATOM 202 CG GLN A 15 -13.070 -20.876 8.110 1.00 0.00 C ATOM 203 CD GLN A 15 -13.918 -20.187 9.161 1.00 0.00 C ATOM 204 OE1 GLN A 15 -13.433 -19.337 9.908 1.00 0.00 O ATOM 205 NE2 GLN A 15 -15.194 -20.551 9.223 1.00 0.00 N ATOM 0 H GLN A 15 -10.508 -20.398 8.686 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.170 -21.329 6.134 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.246 -18.945 7.693 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.041 -19.697 6.324 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.697 -21.551 7.528 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.315 -21.488 8.602 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.554 -21.260 8.584 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.814 -20.122 9.910 1.00 0.00 H new ATOM 212 N SER A 16 -9.868 -18.302 6.207 1.00 0.00 N ATOM 213 CA SER A 16 -9.280 -17.257 5.377 1.00 0.00 C ATOM 214 C SER A 16 -8.437 -16.304 6.219 1.00 0.00 C ATOM 215 O SER A 16 -8.964 -15.398 6.865 1.00 0.00 O ATOM 216 CB SER A 16 -10.376 -16.478 4.648 1.00 0.00 C ATOM 217 OG SER A 16 -11.586 -16.488 5.385 1.00 0.00 O ATOM 0 H SER A 16 -9.787 -18.139 7.211 1.00 0.00 H new ATOM 0 HA SER A 16 -8.632 -17.734 4.641 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.051 -15.449 4.490 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.543 -16.914 3.663 1.00 0.00 H new ATOM 0 HG SER A 16 -12.270 -15.982 4.898 1.00 0.00 H new ATOM 222 N ALA A 17 -7.125 -16.515 6.206 1.00 0.00 N ATOM 223 CA ALA A 17 -6.208 -15.675 6.967 1.00 0.00 C ATOM 224 C ALA A 17 -5.758 -14.471 6.145 1.00 0.00 C ATOM 225 O ALA A 17 -5.457 -13.411 6.693 1.00 0.00 O ATOM 226 CB ALA A 17 -5.005 -16.485 7.424 1.00 0.00 C ATOM 0 H ALA A 17 -6.673 -17.261 5.677 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.736 -15.305 7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.329 -15.845 7.991 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.339 -17.308 8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.483 -16.883 6.554 1.00 0.00 H new ATOM 232 N PHE A 18 -5.712 -14.643 4.828 1.00 0.00 N ATOM 233 CA PHE A 18 -5.296 -13.571 3.932 1.00 0.00 C ATOM 234 C PHE A 18 -6.387 -12.512 3.807 1.00 0.00 C ATOM 235 O PHE A 18 -6.106 -11.314 3.802 1.00 0.00 O ATOM 236 CB PHE A 18 -4.958 -14.136 2.550 1.00 0.00 C ATOM 237 CG PHE A 18 -4.668 -13.078 1.524 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.399 -12.533 1.412 1.00 0.00 C ATOM 239 CD2 PHE A 18 -5.664 -12.628 0.673 1.00 0.00 C ATOM 240 CE1 PHE A 18 -3.130 -11.559 0.469 1.00 0.00 C ATOM 241 CE2 PHE A 18 -5.400 -11.654 -0.272 1.00 0.00 C ATOM 242 CZ PHE A 18 -4.131 -11.120 -0.375 1.00 0.00 C ATOM 0 H PHE A 18 -5.958 -15.514 4.358 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.407 -13.103 4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.093 -14.793 2.637 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.790 -14.749 2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.612 -12.873 2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.658 -13.043 0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.137 -11.141 0.392 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.186 -11.311 -0.929 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.922 -10.361 -1.114 1.00 0.00 H new ATOM 251 N ALA A 19 -7.633 -12.963 3.706 1.00 0.00 N ATOM 252 CA ALA A 19 -8.766 -12.055 3.584 1.00 0.00 C ATOM 253 C ALA A 19 -9.023 -11.315 4.892 1.00 0.00 C ATOM 254 O ALA A 19 -9.486 -10.175 4.891 1.00 0.00 O ATOM 255 CB ALA A 19 -10.011 -12.819 3.155 1.00 0.00 C ATOM 0 H ALA A 19 -7.883 -13.952 3.706 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.525 -11.315 2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.850 -12.128 3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.831 -13.295 2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.244 -13.581 3.898 1.00 0.00 H new ATOM 261 N ALA A 20 -8.719 -11.973 6.007 1.00 0.00 N ATOM 262 CA ALA A 20 -8.915 -11.376 7.322 1.00 0.00 C ATOM 263 C ALA A 20 -8.201 -10.033 7.428 1.00 0.00 C ATOM 264 O ALA A 20 -8.802 -9.027 7.809 1.00 0.00 O ATOM 265 CB ALA A 20 -8.424 -12.322 8.408 1.00 0.00 C ATOM 0 H ALA A 20 -8.337 -12.918 6.025 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.982 -11.202 7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.576 -11.864 9.385 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.981 -13.257 8.355 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.363 -12.523 8.263 1.00 0.00 H new ATOM 271 N LYS A 21 -6.917 -10.021 7.089 1.00 0.00 N ATOM 272 CA LYS A 21 -6.121 -8.801 7.145 1.00 0.00 C ATOM 273 C LYS A 21 -6.435 -7.892 5.961 1.00 0.00 C ATOM 274 O LYS A 21 -6.290 -6.673 6.048 1.00 0.00 O ATOM 275 CB LYS A 21 -4.628 -9.140 7.159 1.00 0.00 C ATOM 276 CG LYS A 21 -4.198 -10.035 6.009 1.00 0.00 C ATOM 277 CD LYS A 21 -2.702 -10.297 6.036 1.00 0.00 C ATOM 278 CE LYS A 21 -2.262 -10.874 7.374 1.00 0.00 C ATOM 279 NZ LYS A 21 -0.803 -11.176 7.394 1.00 0.00 N ATOM 0 H LYS A 21 -6.404 -10.844 6.772 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.376 -8.273 8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.053 -8.215 7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.384 -9.630 8.101 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.735 -10.982 6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.470 -9.568 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.438 -10.988 5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.165 -9.368 5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.498 -10.167 8.170 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.824 -11.785 7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.396 -10.864 8.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.659 -12.200 7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.334 -10.675 6.613 1.00 0.00 H new ATOM 289 N ALA A 22 -6.868 -8.493 4.858 1.00 0.00 N ATOM 290 CA ALA A 22 -7.206 -7.736 3.659 1.00 0.00 C ATOM 291 C ALA A 22 -8.231 -6.650 3.966 1.00 0.00 C ATOM 292 O ALA A 22 -8.097 -5.512 3.519 1.00 0.00 O ATOM 293 CB ALA A 22 -7.731 -8.670 2.577 1.00 0.00 C ATOM 0 H ALA A 22 -6.993 -9.501 4.770 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.299 -7.251 3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.980 -8.092 1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.966 -9.406 2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.623 -9.181 2.939 1.00 0.00 H new ATOM 299 N GLY A 23 -9.257 -7.010 4.732 1.00 0.00 N ATOM 300 CA GLY A 23 -10.290 -6.054 5.084 1.00 0.00 C ATOM 301 C GLY A 23 -9.775 -4.949 5.985 1.00 0.00 C ATOM 302 O GLY A 23 -10.308 -3.838 5.985 1.00 0.00 O ATOM 0 H GLY A 23 -9.391 -7.946 5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.700 -5.615 4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.107 -6.574 5.583 1.00 0.00 H new ATOM 306 N LEU A 24 -8.736 -5.252 6.755 1.00 0.00 N ATOM 307 CA LEU A 24 -8.149 -4.276 7.667 1.00 0.00 C ATOM 308 C LEU A 24 -7.343 -3.231 6.900 1.00 0.00 C ATOM 309 O LEU A 24 -7.197 -2.095 7.348 1.00 0.00 O ATOM 310 CB LEU A 24 -7.254 -4.977 8.690 1.00 0.00 C ATOM 311 CG LEU A 24 -7.671 -4.837 10.154 1.00 0.00 C ATOM 312 CD1 LEU A 24 -7.477 -6.152 10.893 1.00 0.00 C ATOM 313 CD2 LEU A 24 -6.883 -3.723 10.828 1.00 0.00 C ATOM 0 H LEU A 24 -8.282 -6.166 6.766 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.961 -3.771 8.191 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.217 -6.038 8.444 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.241 -4.589 8.583 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.729 -4.578 10.187 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.779 -6.033 11.933 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.086 -6.926 10.425 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.427 -6.441 10.851 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.193 -3.637 11.870 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.818 -3.952 10.784 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.073 -2.781 10.314 1.00 0.00 H new ATOM 324 N MET A 25 -6.824 -3.626 5.743 1.00 0.00 N ATOM 325 CA MET A 25 -6.034 -2.722 4.912 1.00 0.00 C ATOM 326 C MET A 25 -6.798 -1.431 4.637 1.00 0.00 C ATOM 327 O MET A 25 -6.333 -0.341 4.970 1.00 0.00 O ATOM 328 CB MET A 25 -5.664 -3.400 3.592 1.00 0.00 C ATOM 329 CG MET A 25 -4.877 -2.505 2.649 1.00 0.00 C ATOM 330 SD MET A 25 -3.175 -3.058 2.426 1.00 0.00 S ATOM 331 CE MET A 25 -2.459 -2.592 4.000 1.00 0.00 C ATOM 0 H MET A 25 -6.935 -4.564 5.359 1.00 0.00 H new ATOM 0 HA MET A 25 -5.121 -2.475 5.453 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.078 -4.295 3.804 1.00 0.00 H new ATOM 0 HB3 MET A 25 -6.576 -3.727 3.093 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.376 -2.477 1.680 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.876 -1.486 3.037 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.477 -3.053 4.103 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.358 -1.508 4.047 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.106 -2.932 4.809 1.00 0.00 H new ATOM 339 N ARG A 26 -7.973 -1.562 4.028 1.00 0.00 N ATOM 340 CA ARG A 26 -8.800 -0.405 3.707 1.00 0.00 C ATOM 341 C ARG A 26 -9.133 0.392 4.966 1.00 0.00 C ATOM 342 O ARG A 26 -9.395 1.592 4.902 1.00 0.00 O ATOM 343 CB ARG A 26 -10.089 -0.849 3.015 1.00 0.00 C ATOM 344 CG ARG A 26 -11.085 -1.516 3.951 1.00 0.00 C ATOM 345 CD ARG A 26 -11.712 -2.745 3.313 1.00 0.00 C ATOM 346 NE ARG A 26 -12.933 -3.155 3.999 1.00 0.00 N ATOM 347 CZ ARG A 26 -14.117 -2.588 3.796 1.00 0.00 C ATOM 348 NH1 ARG A 26 -14.239 -1.593 2.929 1.00 0.00 N ATOM 349 NH2 ARG A 26 -15.183 -3.018 4.460 1.00 0.00 N ATOM 0 H ARG A 26 -8.373 -2.457 3.747 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.236 0.237 3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.561 0.019 2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.840 -1.541 2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.583 -1.801 4.875 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.867 -0.805 4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.937 -2.536 2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.995 -3.566 3.327 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.874 -3.919 4.672 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.423 -1.261 2.416 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.149 -1.159 2.775 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.093 -3.785 5.127 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.092 -2.582 4.303 1.00 0.00 H new ATOM 360 N HIS A 27 -9.123 -0.288 6.108 1.00 0.00 N ATOM 361 CA HIS A 27 -9.425 0.357 7.383 1.00 0.00 C ATOM 362 C HIS A 27 -8.279 1.267 7.816 1.00 0.00 C ATOM 363 O HIS A 27 -8.504 2.370 8.314 1.00 0.00 O ATOM 364 CB HIS A 27 -9.691 -0.697 8.459 1.00 0.00 C ATOM 365 CG HIS A 27 -10.401 -0.156 9.662 1.00 0.00 C ATOM 366 ND1 HIS A 27 -11.063 1.053 9.666 1.00 0.00 N ATOM 367 CD2 HIS A 27 -10.553 -0.670 10.905 1.00 0.00 C ATOM 368 CE1 HIS A 27 -11.589 1.262 10.859 1.00 0.00 C ATOM 369 NE2 HIS A 27 -11.294 0.231 11.630 1.00 0.00 N ATOM 0 H HIS A 27 -8.910 -1.283 6.178 1.00 0.00 H new ATOM 0 HA HIS A 27 -10.319 0.967 7.253 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.285 -1.503 8.028 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.742 -1.133 8.772 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.164 -1.613 11.260 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.163 2.128 11.154 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.571 0.122 12.605 1.00 0.00 H new ATOM 376 N THR A 28 -7.051 0.796 7.625 1.00 0.00 N ATOM 377 CA THR A 28 -5.871 1.565 7.997 1.00 0.00 C ATOM 378 C THR A 28 -5.824 2.895 7.253 1.00 0.00 C ATOM 379 O THR A 28 -5.624 3.948 7.858 1.00 0.00 O ATOM 380 CB THR A 28 -4.576 0.784 7.709 1.00 0.00 C ATOM 381 OG1 THR A 28 -4.639 -0.509 8.321 1.00 0.00 O ATOM 382 CG2 THR A 28 -3.361 1.537 8.228 1.00 0.00 C ATOM 0 H THR A 28 -6.848 -0.115 7.214 1.00 0.00 H new ATOM 0 HA THR A 28 -5.942 1.753 9.068 1.00 0.00 H new ATOM 0 HB THR A 28 -4.479 0.672 6.629 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.821 -0.667 8.838 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.459 0.965 8.012 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.299 2.509 7.739 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.453 1.678 9.305 1.00 0.00 H new ATOM 390 N ILE A 29 -6.010 2.839 5.938 1.00 0.00 N ATOM 391 CA ILE A 29 -5.991 4.039 5.112 1.00 0.00 C ATOM 392 C ILE A 29 -7.253 4.870 5.320 1.00 0.00 C ATOM 393 O ILE A 29 -7.187 6.086 5.492 1.00 0.00 O ATOM 394 CB ILE A 29 -5.857 3.693 3.618 1.00 0.00 C ATOM 395 CG1 ILE A 29 -4.522 2.994 3.351 1.00 0.00 C ATOM 396 CG2 ILE A 29 -5.982 4.950 2.770 1.00 0.00 C ATOM 397 CD1 ILE A 29 -4.561 1.503 3.603 1.00 0.00 C ATOM 0 H ILE A 29 -6.176 1.975 5.422 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.122 4.620 5.420 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.663 3.012 3.344 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.228 3.172 2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.754 3.441 3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.885 4.689 1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.955 5.410 2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.195 5.653 3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.582 1.073 3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.824 1.317 4.644 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.305 1.043 2.953 1.00 0.00 H new ATOM 408 N GLY A 30 -8.403 4.203 5.303 1.00 0.00 N ATOM 409 CA GLY A 30 -9.664 4.894 5.491 1.00 0.00 C ATOM 410 C GLY A 30 -9.685 5.728 6.757 1.00 0.00 C ATOM 411 O GLY A 30 -10.119 6.880 6.741 1.00 0.00 O ATOM 0 H GLY A 30 -8.483 3.196 5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.853 5.538 4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.473 4.164 5.527 1.00 0.00 H new ATOM 415 N GLN A 31 -9.217 5.145 7.855 1.00 0.00 N ATOM 416 CA GLN A 31 -9.186 5.842 9.136 1.00 0.00 C ATOM 417 C GLN A 31 -8.094 6.906 9.150 1.00 0.00 C ATOM 418 O GLN A 31 -8.249 7.961 9.765 1.00 0.00 O ATOM 419 CB GLN A 31 -8.961 4.848 10.277 1.00 0.00 C ATOM 420 CG GLN A 31 -10.248 4.287 10.857 1.00 0.00 C ATOM 421 CD GLN A 31 -10.830 5.167 11.946 1.00 0.00 C ATOM 422 OE1 GLN A 31 -10.670 4.891 13.136 1.00 0.00 O ATOM 423 NE2 GLN A 31 -11.509 6.234 11.543 1.00 0.00 N ATOM 0 H GLN A 31 -8.854 4.192 7.884 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.149 6.333 9.277 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.346 4.024 9.914 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.399 5.340 11.071 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.981 4.170 10.059 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.057 3.293 11.262 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.616 6.424 10.547 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.923 6.864 12.230 1.00 0.00 H new ATOM 430 N ALA A 32 -6.989 6.622 8.468 1.00 0.00 N ATOM 431 CA ALA A 32 -5.872 7.556 8.401 1.00 0.00 C ATOM 432 C ALA A 32 -6.262 8.826 7.652 1.00 0.00 C ATOM 433 O ALA A 32 -5.998 9.935 8.114 1.00 0.00 O ATOM 434 CB ALA A 32 -4.672 6.897 7.737 1.00 0.00 C ATOM 0 H ALA A 32 -6.844 5.753 7.954 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.602 7.835 9.420 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.845 7.606 7.694 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.371 6.023 8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.939 6.589 6.726 1.00 0.00 H new ATOM 440 N GLU A 33 -6.891 8.654 6.493 1.00 0.00 N ATOM 441 CA GLU A 33 -7.315 9.788 5.681 1.00 0.00 C ATOM 442 C GLU A 33 -8.423 10.572 6.377 1.00 0.00 C ATOM 443 O GLU A 33 -8.498 11.795 6.262 1.00 0.00 O ATOM 444 CB GLU A 33 -7.799 9.309 4.309 1.00 0.00 C ATOM 445 CG GLU A 33 -9.063 8.469 4.370 1.00 0.00 C ATOM 446 CD GLU A 33 -9.554 8.055 2.996 1.00 0.00 C ATOM 447 OE1 GLU A 33 -8.708 7.760 2.127 1.00 0.00 O ATOM 448 OE2 GLU A 33 -10.786 8.025 2.791 1.00 0.00 O ATOM 0 H GLU A 33 -7.118 7.742 6.096 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.457 10.446 5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.979 10.176 3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.008 8.726 3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.874 7.578 4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.846 9.033 4.877 1.00 0.00 H new ATOM 453 N GLN A 34 -9.282 9.859 7.098 1.00 0.00 N ATOM 454 CA GLN A 34 -10.387 10.487 7.811 1.00 0.00 C ATOM 455 C GLN A 34 -9.872 11.488 8.840 1.00 0.00 C ATOM 456 O GLN A 34 -10.502 12.515 9.091 1.00 0.00 O ATOM 457 CB GLN A 34 -11.247 9.427 8.501 1.00 0.00 C ATOM 458 CG GLN A 34 -12.684 9.865 8.734 1.00 0.00 C ATOM 459 CD GLN A 34 -13.551 8.751 9.287 1.00 0.00 C ATOM 460 OE1 GLN A 34 -13.194 7.575 9.211 1.00 0.00 O ATOM 461 NE2 GLN A 34 -14.697 9.116 9.849 1.00 0.00 N ATOM 0 H GLN A 34 -9.234 8.846 7.204 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.997 11.022 7.083 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.246 8.520 7.896 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.794 9.171 9.459 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.696 10.707 9.426 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.109 10.219 7.795 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.953 10.102 9.890 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.321 8.410 10.239 1.00 0.00 H new ATOM 468 N ALA A 35 -8.722 11.182 9.432 1.00 0.00 N ATOM 469 CA ALA A 35 -8.121 12.055 10.433 1.00 0.00 C ATOM 470 C ALA A 35 -7.523 13.300 9.786 1.00 0.00 C ATOM 471 O ALA A 35 -7.536 14.382 10.372 1.00 0.00 O ATOM 472 CB ALA A 35 -7.058 11.303 11.219 1.00 0.00 C ATOM 0 H ALA A 35 -8.188 10.336 9.236 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.905 12.375 11.119 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.618 11.967 11.963 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.512 10.448 11.720 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.281 10.954 10.539 1.00 0.00 H new ATOM 478 N ALA A 36 -6.998 13.138 8.575 1.00 0.00 N ATOM 479 CA ALA A 36 -6.396 14.249 7.849 1.00 0.00 C ATOM 480 C ALA A 36 -7.400 15.378 7.641 1.00 0.00 C ATOM 481 O ALA A 36 -7.025 16.546 7.550 1.00 0.00 O ATOM 482 CB ALA A 36 -5.851 13.772 6.511 1.00 0.00 C ATOM 0 H ALA A 36 -6.978 12.248 8.077 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.572 14.637 8.447 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.404 14.612 5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.095 13.005 6.679 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.663 13.356 5.915 1.00 0.00 H new ATOM 488 N MET A 37 -8.678 15.020 7.567 1.00 0.00 N ATOM 489 CA MET A 37 -9.736 16.003 7.370 1.00 0.00 C ATOM 490 C MET A 37 -10.122 16.660 8.692 1.00 0.00 C ATOM 491 O MET A 37 -10.372 17.864 8.749 1.00 0.00 O ATOM 492 CB MET A 37 -10.963 15.345 6.737 1.00 0.00 C ATOM 493 CG MET A 37 -10.627 14.424 5.576 1.00 0.00 C ATOM 494 SD MET A 37 -11.735 14.647 4.170 1.00 0.00 S ATOM 495 CE MET A 37 -11.122 13.389 3.053 1.00 0.00 C ATOM 0 H MET A 37 -9.005 14.057 7.641 1.00 0.00 H new ATOM 0 HA MET A 37 -9.359 16.774 6.698 1.00 0.00 H new ATOM 0 HB2 MET A 37 -11.494 14.776 7.500 1.00 0.00 H new ATOM 0 HB3 MET A 37 -11.643 16.122 6.388 1.00 0.00 H new ATOM 0 HG2 MET A 37 -9.601 14.607 5.258 1.00 0.00 H new ATOM 0 HG3 MET A 37 -10.677 13.388 5.912 1.00 0.00 H new ATOM 0 HE1 MET A 37 -11.648 13.460 2.101 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.054 13.536 2.890 1.00 0.00 H new ATOM 0 HE3 MET A 37 -11.290 12.404 3.488 1.00 0.00 H new ATOM 503 N SER A 38 -10.168 15.860 9.754 1.00 0.00 N ATOM 504 CA SER A 38 -10.526 16.362 11.074 1.00 0.00 C ATOM 505 C SER A 38 -9.432 17.269 11.626 1.00 0.00 C ATOM 506 O SER A 38 -9.713 18.309 12.221 1.00 0.00 O ATOM 507 CB SER A 38 -10.775 15.199 12.036 1.00 0.00 C ATOM 508 OG SER A 38 -9.554 14.622 12.463 1.00 0.00 O ATOM 0 H SER A 38 -9.962 14.862 9.724 1.00 0.00 H new ATOM 0 HA SER A 38 -11.442 16.945 10.977 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.336 15.552 12.901 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.387 14.442 11.546 1.00 0.00 H new ATOM 0 HG SER A 38 -8.974 14.472 11.687 1.00 0.00 H new ATOM 513 N ALA A 39 -8.181 16.866 11.426 1.00 0.00 N ATOM 514 CA ALA A 39 -7.043 17.641 11.901 1.00 0.00 C ATOM 515 C ALA A 39 -6.846 18.900 11.062 1.00 0.00 C ATOM 516 O ALA A 39 -6.477 19.951 11.583 1.00 0.00 O ATOM 517 CB ALA A 39 -5.781 16.791 11.884 1.00 0.00 C ATOM 0 H ALA A 39 -7.931 16.006 10.938 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.248 17.948 12.927 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.939 17.383 12.241 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.917 15.925 12.532 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.582 16.455 10.866 1.00 0.00 H new ATOM 523 N GLN A 40 -7.094 18.783 9.762 1.00 0.00 N ATOM 524 CA GLN A 40 -6.942 19.912 8.851 1.00 0.00 C ATOM 525 C GLN A 40 -8.205 20.766 8.829 1.00 0.00 C ATOM 526 O GLN A 40 -8.225 21.846 8.240 1.00 0.00 O ATOM 527 CB GLN A 40 -6.622 19.416 7.440 1.00 0.00 C ATOM 528 CG GLN A 40 -6.361 20.536 6.446 1.00 0.00 C ATOM 529 CD GLN A 40 -5.393 20.131 5.351 1.00 0.00 C ATOM 530 OE1 GLN A 40 -4.791 19.058 5.405 1.00 0.00 O ATOM 531 NE2 GLN A 40 -5.240 20.989 4.350 1.00 0.00 N ATOM 0 H GLN A 40 -7.401 17.919 9.316 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.116 20.527 9.208 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.747 18.767 7.482 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.452 18.808 7.080 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.305 20.844 5.996 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.963 21.401 6.976 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.760 21.867 4.347 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.603 20.771 3.584 1.00 0.00 H new ATOM 538 N ALA A 41 -9.258 20.274 9.474 1.00 0.00 N ATOM 539 CA ALA A 41 -10.524 20.993 9.529 1.00 0.00 C ATOM 540 C ALA A 41 -10.391 22.278 10.341 1.00 0.00 C ATOM 541 O ALA A 41 -11.175 23.214 10.175 1.00 0.00 O ATOM 542 CB ALA A 41 -11.611 20.106 10.118 1.00 0.00 C ATOM 0 H ALA A 41 -9.259 19.380 9.966 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.803 21.264 8.511 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.551 20.657 10.153 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.733 19.219 9.497 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.329 19.806 11.127 1.00 0.00 H new ATOM 548 N PHE A 42 -9.395 22.316 11.220 1.00 0.00 N ATOM 549 CA PHE A 42 -9.160 23.486 12.058 1.00 0.00 C ATOM 550 C PHE A 42 -9.090 24.756 11.214 1.00 0.00 C ATOM 551 O PHE A 42 -8.460 24.777 10.156 1.00 0.00 O ATOM 552 CB PHE A 42 -7.865 23.316 12.855 1.00 0.00 C ATOM 553 CG PHE A 42 -6.625 23.558 12.042 1.00 0.00 C ATOM 554 CD1 PHE A 42 -6.343 22.775 10.935 1.00 0.00 C ATOM 555 CD2 PHE A 42 -5.743 24.569 12.385 1.00 0.00 C ATOM 556 CE1 PHE A 42 -5.203 22.994 10.186 1.00 0.00 C ATOM 557 CE2 PHE A 42 -4.601 24.795 11.640 1.00 0.00 C ATOM 558 CZ PHE A 42 -4.330 24.007 10.538 1.00 0.00 C ATOM 0 H PHE A 42 -8.738 21.550 11.370 1.00 0.00 H new ATOM 0 HA PHE A 42 -9.996 23.579 12.752 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.875 24.003 13.701 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.830 22.307 13.265 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.022 21.984 10.654 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.950 25.188 13.245 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.994 22.375 9.326 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.921 25.587 11.919 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.439 24.182 9.953 1.00 0.00 H new ATOM 567 N HIS A 43 -9.741 25.812 11.690 1.00 0.00 N ATOM 568 CA HIS A 43 -9.752 27.086 10.981 1.00 0.00 C ATOM 569 C HIS A 43 -10.178 26.895 9.528 1.00 0.00 C ATOM 570 O HIS A 43 -9.739 27.629 8.642 1.00 0.00 O ATOM 571 CB HIS A 43 -8.370 27.738 11.038 1.00 0.00 C ATOM 572 CG HIS A 43 -7.879 27.980 12.432 1.00 0.00 C ATOM 573 ND1 HIS A 43 -6.605 28.426 12.714 1.00 0.00 N ATOM 574 CD2 HIS A 43 -8.499 27.837 13.626 1.00 0.00 C ATOM 575 CE1 HIS A 43 -6.462 28.545 14.022 1.00 0.00 C ATOM 576 NE2 HIS A 43 -7.598 28.195 14.599 1.00 0.00 N ATOM 0 H HIS A 43 -10.268 25.811 12.564 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.474 27.740 11.470 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.656 27.102 10.515 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.403 28.687 10.503 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.514 27.503 13.785 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.569 28.873 14.533 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -7.777 28.191 15.603 1.00 0.00 H new ATOM 583 N GLN A 44 -11.032 25.905 9.292 1.00 0.00 N ATOM 584 CA GLN A 44 -11.516 25.618 7.947 1.00 0.00 C ATOM 585 C GLN A 44 -12.965 25.144 7.979 1.00 0.00 C ATOM 586 O GLN A 44 -13.879 25.886 7.619 1.00 0.00 O ATOM 587 CB GLN A 44 -10.635 24.558 7.282 1.00 0.00 C ATOM 588 CG GLN A 44 -9.216 25.031 7.009 1.00 0.00 C ATOM 589 CD GLN A 44 -9.131 25.964 5.817 1.00 0.00 C ATOM 590 OE1 GLN A 44 -10.110 26.617 5.454 1.00 0.00 O ATOM 591 NE2 GLN A 44 -7.957 26.032 5.201 1.00 0.00 N ATOM 0 H GLN A 44 -11.403 25.288 10.015 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.467 26.539 7.366 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.598 23.675 7.920 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.095 24.253 6.342 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.831 25.540 7.892 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.576 24.166 6.835 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.172 25.473 5.536 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.840 26.643 4.393 1.00 0.00 H new ATOM 598 N GLY A 45 -13.168 23.903 8.412 1.00 0.00 N ATOM 599 CA GLY A 45 -14.509 23.352 8.481 1.00 0.00 C ATOM 600 C GLY A 45 -14.874 22.559 7.242 1.00 0.00 C ATOM 601 O GLY A 45 -15.797 21.744 7.270 1.00 0.00 O ATOM 0 H GLY A 45 -12.428 23.270 8.716 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -14.590 22.709 9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -15.225 24.163 8.614 1.00 0.00 H new ATOM 605 N GLU A 46 -14.153 22.800 6.153 1.00 0.00 N ATOM 606 CA GLU A 46 -14.409 22.103 4.898 1.00 0.00 C ATOM 607 C GLU A 46 -13.103 21.783 4.176 1.00 0.00 C ATOM 608 O GLU A 46 -12.026 22.194 4.608 1.00 0.00 O ATOM 609 CB GLU A 46 -15.310 22.947 3.995 1.00 0.00 C ATOM 610 CG GLU A 46 -16.220 22.123 3.099 1.00 0.00 C ATOM 611 CD GLU A 46 -17.674 22.540 3.202 1.00 0.00 C ATOM 612 OE1 GLU A 46 -18.299 22.266 4.248 1.00 0.00 O ATOM 613 OE2 GLU A 46 -18.187 23.143 2.236 1.00 0.00 O ATOM 0 H GLU A 46 -13.387 23.472 6.114 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.914 21.166 5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -15.922 23.601 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -14.687 23.589 3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.890 22.221 2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -16.128 21.070 3.365 1.00 0.00 H new ATOM 618 N SER A 47 -13.208 21.047 3.074 1.00 0.00 N ATOM 619 CA SER A 47 -12.036 20.668 2.293 1.00 0.00 C ATOM 620 C SER A 47 -11.337 21.902 1.728 1.00 0.00 C ATOM 621 O SER A 47 -11.946 22.963 1.588 1.00 0.00 O ATOM 622 CB SER A 47 -12.436 19.728 1.156 1.00 0.00 C ATOM 623 OG SER A 47 -11.628 18.564 1.148 1.00 0.00 O ATOM 0 H SER A 47 -14.093 20.701 2.702 1.00 0.00 H new ATOM 0 HA SER A 47 -11.342 20.150 2.954 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.483 19.447 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.342 20.246 0.202 1.00 0.00 H new ATOM 0 HG SER A 47 -11.905 17.978 0.413 1.00 0.00 H new ATOM 628 N SER A 48 -10.057 21.753 1.404 1.00 0.00 N ATOM 629 CA SER A 48 -9.274 22.855 0.856 1.00 0.00 C ATOM 630 C SER A 48 -8.981 22.630 -0.623 1.00 0.00 C ATOM 631 O SER A 48 -9.313 21.584 -1.182 1.00 0.00 O ATOM 632 CB SER A 48 -7.964 23.010 1.630 1.00 0.00 C ATOM 633 OG SER A 48 -7.407 24.299 1.438 1.00 0.00 O ATOM 0 H SER A 48 -9.540 20.880 1.511 1.00 0.00 H new ATOM 0 HA SER A 48 -9.858 23.770 0.957 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.144 22.843 2.692 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.253 22.251 1.303 1.00 0.00 H new ATOM 0 HG SER A 48 -6.571 24.373 1.945 1.00 0.00 H new ATOM 638 N ALA A 49 -8.356 23.619 -1.254 1.00 0.00 N ATOM 639 CA ALA A 49 -8.016 23.529 -2.668 1.00 0.00 C ATOM 640 C ALA A 49 -6.712 22.765 -2.872 1.00 0.00 C ATOM 641 O ALA A 49 -6.676 21.759 -3.579 1.00 0.00 O ATOM 642 CB ALA A 49 -7.914 24.921 -3.276 1.00 0.00 C ATOM 0 H ALA A 49 -8.075 24.492 -0.808 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.811 22.980 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.659 24.839 -4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.870 25.434 -3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.140 25.488 -2.759 1.00 0.00 H new ATOM 648 N ALA A 50 -5.643 23.251 -2.249 1.00 0.00 N ATOM 649 CA ALA A 50 -4.338 22.612 -2.361 1.00 0.00 C ATOM 650 C ALA A 50 -4.368 21.198 -1.792 1.00 0.00 C ATOM 651 O ALA A 50 -3.727 20.290 -2.322 1.00 0.00 O ATOM 652 CB ALA A 50 -3.280 23.446 -1.653 1.00 0.00 C ATOM 0 H ALA A 50 -5.655 24.085 -1.662 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.084 22.544 -3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.310 22.957 -1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.232 24.435 -2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.539 23.544 -0.599 1.00 0.00 H new ATOM 658 N PHE A 51 -5.114 21.017 -0.708 1.00 0.00 N ATOM 659 CA PHE A 51 -5.226 19.712 -0.065 1.00 0.00 C ATOM 660 C PHE A 51 -5.844 18.689 -1.015 1.00 0.00 C ATOM 661 O PHE A 51 -5.491 17.511 -0.986 1.00 0.00 O ATOM 662 CB PHE A 51 -6.069 19.818 1.207 1.00 0.00 C ATOM 663 CG PHE A 51 -6.391 18.487 1.825 1.00 0.00 C ATOM 664 CD1 PHE A 51 -7.515 17.778 1.432 1.00 0.00 C ATOM 665 CD2 PHE A 51 -5.570 17.945 2.800 1.00 0.00 C ATOM 666 CE1 PHE A 51 -7.813 16.554 1.998 1.00 0.00 C ATOM 667 CE2 PHE A 51 -5.862 16.720 3.370 1.00 0.00 C ATOM 668 CZ PHE A 51 -6.986 16.024 2.969 1.00 0.00 C ATOM 0 H PHE A 51 -5.650 21.757 -0.256 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.223 19.377 0.199 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.537 20.429 1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.999 20.336 0.975 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -8.166 18.188 0.674 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.691 18.486 3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.692 16.012 1.682 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.212 16.308 4.128 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.218 15.067 3.414 1.00 0.00 H new ATOM 677 N GLN A 52 -6.766 19.151 -1.853 1.00 0.00 N ATOM 678 CA GLN A 52 -7.433 18.276 -2.810 1.00 0.00 C ATOM 679 C GLN A 52 -6.417 17.566 -3.698 1.00 0.00 C ATOM 680 O GLN A 52 -6.418 16.339 -3.801 1.00 0.00 O ATOM 681 CB GLN A 52 -8.408 19.078 -3.673 1.00 0.00 C ATOM 682 CG GLN A 52 -9.154 18.235 -4.693 1.00 0.00 C ATOM 683 CD GLN A 52 -10.535 17.828 -4.216 1.00 0.00 C ATOM 684 OE1 GLN A 52 -11.383 18.677 -3.936 1.00 0.00 O ATOM 685 NE2 GLN A 52 -10.770 16.525 -4.122 1.00 0.00 N ATOM 0 H GLN A 52 -7.068 20.125 -1.889 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.988 17.524 -2.250 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.131 19.573 -3.025 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.858 19.862 -4.194 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.246 18.795 -5.624 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.572 17.340 -4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.039 15.856 -4.364 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.682 16.193 -3.808 1.00 0.00 H new ATOM 692 N ALA A 53 -5.550 18.345 -4.337 1.00 0.00 N ATOM 693 CA ALA A 53 -4.528 17.789 -5.216 1.00 0.00 C ATOM 694 C ALA A 53 -3.741 16.688 -4.514 1.00 0.00 C ATOM 695 O ALA A 53 -3.325 15.713 -5.140 1.00 0.00 O ATOM 696 CB ALA A 53 -3.589 18.888 -5.694 1.00 0.00 C ATOM 0 H ALA A 53 -5.535 19.362 -4.263 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.026 17.350 -6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.831 18.459 -6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.158 19.640 -6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.105 19.352 -4.835 1.00 0.00 H new ATOM 702 N ALA A 54 -3.540 16.849 -3.210 1.00 0.00 N ATOM 703 CA ALA A 54 -2.804 15.867 -2.424 1.00 0.00 C ATOM 704 C ALA A 54 -3.675 14.657 -2.101 1.00 0.00 C ATOM 705 O ALA A 54 -3.196 13.523 -2.077 1.00 0.00 O ATOM 706 CB ALA A 54 -2.282 16.500 -1.142 1.00 0.00 C ATOM 0 H ALA A 54 -3.877 17.650 -2.676 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.957 15.524 -3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.734 15.755 -0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.617 17.328 -1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.120 16.871 -0.552 1.00 0.00 H new ATOM 712 N HIS A 55 -4.956 14.906 -1.852 1.00 0.00 N ATOM 713 CA HIS A 55 -5.895 13.836 -1.531 1.00 0.00 C ATOM 714 C HIS A 55 -6.075 12.897 -2.719 1.00 0.00 C ATOM 715 O HIS A 55 -6.240 11.689 -2.548 1.00 0.00 O ATOM 716 CB HIS A 55 -7.246 14.422 -1.119 1.00 0.00 C ATOM 717 CG HIS A 55 -8.299 13.385 -0.875 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.995 12.608 -1.737 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -8.745 13.049 0.386 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.840 11.825 -0.990 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -9.669 12.110 0.289 1.00 0.00 N flip ATOM 0 H HIS A 55 -5.368 15.839 -1.866 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.486 13.264 -0.698 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.115 15.015 -0.214 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.591 15.102 -1.898 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.394 13.486 1.309 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.532 11.095 -1.384 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.166 11.679 1.068 1.00 0.00 H new ATOM 728 N ALA A 56 -6.043 13.459 -3.923 1.00 0.00 N ATOM 729 CA ALA A 56 -6.201 12.671 -5.139 1.00 0.00 C ATOM 730 C ALA A 56 -4.969 11.812 -5.400 1.00 0.00 C ATOM 731 O ALA A 56 -5.068 10.725 -5.970 1.00 0.00 O ATOM 732 CB ALA A 56 -6.474 13.582 -6.326 1.00 0.00 C ATOM 0 H ALA A 56 -5.909 14.458 -4.082 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.053 12.005 -5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.590 12.980 -7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.388 14.148 -6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.640 14.272 -6.455 1.00 0.00 H new ATOM 738 N ARG A 57 -3.809 12.306 -4.981 1.00 0.00 N ATOM 739 CA ARG A 57 -2.557 11.583 -5.172 1.00 0.00 C ATOM 740 C ARG A 57 -2.543 10.294 -4.357 1.00 0.00 C ATOM 741 O ARG A 57 -2.019 9.272 -4.800 1.00 0.00 O ATOM 742 CB ARG A 57 -1.371 12.463 -4.774 1.00 0.00 C ATOM 743 CG ARG A 57 -1.057 13.556 -5.783 1.00 0.00 C ATOM 744 CD ARG A 57 -0.157 14.626 -5.185 1.00 0.00 C ATOM 745 NE ARG A 57 0.714 15.233 -6.188 1.00 0.00 N ATOM 746 CZ ARG A 57 1.307 16.410 -6.030 1.00 0.00 C ATOM 747 NH1 ARG A 57 1.124 17.104 -4.915 1.00 0.00 N ATOM 748 NH2 ARG A 57 2.086 16.896 -6.987 1.00 0.00 N ATOM 0 H ARG A 57 -3.710 13.204 -4.507 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.473 11.325 -6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.578 12.922 -3.807 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.490 11.834 -4.646 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.573 13.118 -6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.985 14.011 -6.128 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.771 15.399 -4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.452 14.187 -4.394 1.00 0.00 H new ATOM 0 HE ARG A 57 0.875 14.725 -7.057 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.526 16.734 -4.176 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.581 18.008 -4.796 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.230 16.365 -7.846 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.541 17.801 -6.864 1.00 0.00 H new ATOM 759 N PHE A 58 -3.123 10.349 -3.162 1.00 0.00 N ATOM 760 CA PHE A 58 -3.176 9.186 -2.283 1.00 0.00 C ATOM 761 C PHE A 58 -4.079 8.104 -2.869 1.00 0.00 C ATOM 762 O PHE A 58 -3.661 6.959 -3.042 1.00 0.00 O ATOM 763 CB PHE A 58 -3.681 9.591 -0.897 1.00 0.00 C ATOM 764 CG PHE A 58 -3.364 8.585 0.174 1.00 0.00 C ATOM 765 CD1 PHE A 58 -3.917 7.316 0.135 1.00 0.00 C ATOM 766 CD2 PHE A 58 -2.512 8.910 1.216 1.00 0.00 C ATOM 767 CE1 PHE A 58 -3.628 6.389 1.118 1.00 0.00 C ATOM 768 CE2 PHE A 58 -2.218 7.987 2.203 1.00 0.00 C ATOM 769 CZ PHE A 58 -2.777 6.724 2.153 1.00 0.00 C ATOM 0 H PHE A 58 -3.563 11.186 -2.780 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.167 8.784 -2.191 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.241 10.550 -0.625 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.760 9.736 -0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.582 7.048 -0.673 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.072 9.895 1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.067 5.403 1.077 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.553 8.253 3.011 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.549 6.000 2.922 1.00 0.00 H new ATOM 778 N VAL A 59 -5.319 8.474 -3.171 1.00 0.00 N ATOM 779 CA VAL A 59 -6.280 7.537 -3.738 1.00 0.00 C ATOM 780 C VAL A 59 -5.751 6.917 -5.026 1.00 0.00 C ATOM 781 O VAL A 59 -6.028 5.756 -5.328 1.00 0.00 O ATOM 782 CB VAL A 59 -7.629 8.223 -4.028 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.417 9.507 -4.813 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.557 7.277 -4.776 1.00 0.00 C ATOM 0 H VAL A 59 -5.682 9.417 -3.032 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.431 6.752 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.098 8.480 -3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.381 9.977 -5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.792 10.188 -4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.926 9.278 -5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.505 7.777 -4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.097 6.987 -5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.735 6.388 -4.171 1.00 0.00 H new ATOM 794 N ALA A 60 -4.986 7.699 -5.782 1.00 0.00 N ATOM 795 CA ALA A 60 -4.415 7.226 -7.037 1.00 0.00 C ATOM 796 C ALA A 60 -3.557 5.986 -6.816 1.00 0.00 C ATOM 797 O ALA A 60 -3.607 5.036 -7.598 1.00 0.00 O ATOM 798 CB ALA A 60 -3.596 8.327 -7.691 1.00 0.00 C ATOM 0 H ALA A 60 -4.748 8.662 -5.547 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.235 6.954 -7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.175 7.960 -8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.236 9.186 -7.893 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.788 8.626 -7.023 1.00 0.00 H new ATOM 804 N ALA A 61 -2.768 5.999 -5.746 1.00 0.00 N ATOM 805 CA ALA A 61 -1.900 4.874 -5.423 1.00 0.00 C ATOM 806 C ALA A 61 -2.683 3.751 -4.753 1.00 0.00 C ATOM 807 O ALA A 61 -2.416 2.571 -4.984 1.00 0.00 O ATOM 808 CB ALA A 61 -0.757 5.330 -4.526 1.00 0.00 C ATOM 0 H ALA A 61 -2.713 6.777 -5.088 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.486 4.488 -6.354 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.116 4.480 -4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.173 6.094 -5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.162 5.744 -3.602 1.00 0.00 H new ATOM 814 N ALA A 62 -3.652 4.124 -3.922 1.00 0.00 N ATOM 815 CA ALA A 62 -4.475 3.147 -3.220 1.00 0.00 C ATOM 816 C ALA A 62 -5.085 2.143 -4.193 1.00 0.00 C ATOM 817 O ALA A 62 -5.255 0.970 -3.863 1.00 0.00 O ATOM 818 CB ALA A 62 -5.568 3.849 -2.429 1.00 0.00 C ATOM 0 H ALA A 62 -3.886 5.096 -3.719 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.835 2.600 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.175 3.107 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.115 4.522 -1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.198 4.422 -3.109 1.00 0.00 H new ATOM 824 N ALA A 63 -5.415 2.613 -5.391 1.00 0.00 N ATOM 825 CA ALA A 63 -6.005 1.756 -6.413 1.00 0.00 C ATOM 826 C ALA A 63 -5.109 0.557 -6.708 1.00 0.00 C ATOM 827 O ALA A 63 -5.588 -0.510 -7.092 1.00 0.00 O ATOM 828 CB ALA A 63 -6.263 2.551 -7.683 1.00 0.00 C ATOM 0 H ALA A 63 -5.284 3.583 -5.678 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.956 1.381 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.703 1.899 -8.437 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.949 3.370 -7.466 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.322 2.955 -8.057 1.00 0.00 H new ATOM 834 N LYS A 64 -3.805 0.740 -6.528 1.00 0.00 N ATOM 835 CA LYS A 64 -2.841 -0.326 -6.775 1.00 0.00 C ATOM 836 C LYS A 64 -2.904 -1.381 -5.675 1.00 0.00 C ATOM 837 O LYS A 64 -2.974 -2.578 -5.954 1.00 0.00 O ATOM 838 CB LYS A 64 -1.426 0.249 -6.864 1.00 0.00 C ATOM 839 CG LYS A 64 -0.570 -0.406 -7.933 1.00 0.00 C ATOM 840 CD LYS A 64 -0.471 -1.908 -7.726 1.00 0.00 C ATOM 841 CE LYS A 64 0.322 -2.574 -8.840 1.00 0.00 C ATOM 842 NZ LYS A 64 1.739 -2.114 -8.862 1.00 0.00 N ATOM 0 H LYS A 64 -3.391 1.617 -6.212 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.095 -0.799 -7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.489 1.318 -7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.935 0.136 -5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.994 -0.201 -8.916 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.429 0.031 -7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.004 -2.113 -6.767 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.472 -2.337 -7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.293 -3.656 -8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.146 -2.356 -9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.211 -2.483 -9.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.766 -1.074 -8.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.230 -2.463 -8.014 1.00 0.00 H new ATOM 852 N VAL A 65 -2.882 -0.929 -4.425 1.00 0.00 N ATOM 853 CA VAL A 65 -2.939 -1.836 -3.284 1.00 0.00 C ATOM 854 C VAL A 65 -4.305 -2.505 -3.182 1.00 0.00 C ATOM 855 O VAL A 65 -4.409 -3.674 -2.815 1.00 0.00 O ATOM 856 CB VAL A 65 -2.642 -1.097 -1.966 1.00 0.00 C ATOM 857 CG1 VAL A 65 -2.504 -2.086 -0.819 1.00 0.00 C ATOM 858 CG2 VAL A 65 -1.386 -0.248 -2.103 1.00 0.00 C ATOM 0 H VAL A 65 -2.825 0.059 -4.177 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.176 -2.597 -3.445 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.479 -0.435 -1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.294 -1.546 0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.432 -2.647 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.686 -2.776 -1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.191 0.267 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.539 -0.888 -2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.528 0.486 -2.896 1.00 0.00 H new ATOM 868 N ASN A 66 -5.352 -1.754 -3.509 1.00 0.00 N ATOM 869 CA ASN A 66 -6.713 -2.274 -3.454 1.00 0.00 C ATOM 870 C ASN A 66 -6.910 -3.391 -4.475 1.00 0.00 C ATOM 871 O ASN A 66 -7.465 -4.444 -4.160 1.00 0.00 O ATOM 872 CB ASN A 66 -7.722 -1.152 -3.709 1.00 0.00 C ATOM 873 CG ASN A 66 -9.038 -1.670 -4.253 1.00 0.00 C ATOM 874 OD1 ASN A 66 -9.966 -1.958 -3.495 1.00 0.00 O ATOM 875 ND2 ASN A 66 -9.126 -1.793 -5.572 1.00 0.00 N ATOM 0 H ASN A 66 -5.284 -0.783 -3.815 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.879 -2.682 -2.457 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.904 -0.612 -2.779 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.297 -0.438 -4.414 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.987 -2.138 -5.996 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.332 -1.543 -6.162 1.00 0.00 H new ATOM 881 N THR A 67 -6.452 -3.154 -5.699 1.00 0.00 N ATOM 882 CA THR A 67 -6.577 -4.138 -6.767 1.00 0.00 C ATOM 883 C THR A 67 -5.761 -5.389 -6.461 1.00 0.00 C ATOM 884 O THR A 67 -6.276 -6.506 -6.509 1.00 0.00 O ATOM 885 CB THR A 67 -6.121 -3.561 -8.120 1.00 0.00 C ATOM 886 OG1 THR A 67 -6.948 -2.449 -8.482 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.184 -4.621 -9.210 1.00 0.00 C ATOM 0 H THR A 67 -5.990 -2.288 -5.976 1.00 0.00 H new ATOM 0 HA THR A 67 -7.633 -4.402 -6.830 1.00 0.00 H new ATOM 0 HB THR A 67 -5.088 -3.228 -8.018 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.604 -1.634 -8.060 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.857 -4.190 -10.156 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.532 -5.453 -8.946 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.208 -4.980 -9.309 1.00 0.00 H new ATOM 895 N LEU A 68 -4.485 -5.195 -6.145 1.00 0.00 N ATOM 896 CA LEU A 68 -3.596 -6.308 -5.829 1.00 0.00 C ATOM 897 C LEU A 68 -4.187 -7.180 -4.725 1.00 0.00 C ATOM 898 O LEU A 68 -4.093 -8.407 -4.772 1.00 0.00 O ATOM 899 CB LEU A 68 -2.224 -5.785 -5.402 1.00 0.00 C ATOM 900 CG LEU A 68 -1.345 -5.218 -6.518 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.106 -4.554 -5.936 1.00 0.00 C ATOM 902 CD2 LEU A 68 -0.955 -6.314 -7.499 1.00 0.00 C ATOM 0 H LEU A 68 -4.043 -4.277 -6.101 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.483 -6.917 -6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.371 -5.008 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.682 -6.597 -4.917 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.917 -4.463 -7.057 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.507 -4.156 -6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.406 -3.741 -5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.469 -5.288 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.330 -5.892 -8.286 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.401 -7.092 -6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.854 -6.744 -7.941 1.00 0.00 H new ATOM 913 N LEU A 69 -4.797 -6.538 -3.734 1.00 0.00 N ATOM 914 CA LEU A 69 -5.405 -7.255 -2.619 1.00 0.00 C ATOM 915 C LEU A 69 -6.446 -8.253 -3.116 1.00 0.00 C ATOM 916 O LEU A 69 -6.535 -9.374 -2.614 1.00 0.00 O ATOM 917 CB LEU A 69 -6.053 -6.268 -1.645 1.00 0.00 C ATOM 918 CG LEU A 69 -5.266 -5.972 -0.369 1.00 0.00 C ATOM 919 CD1 LEU A 69 -5.982 -4.923 0.469 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.056 -7.247 0.437 1.00 0.00 C ATOM 0 H LEU A 69 -4.883 -5.523 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.619 -7.805 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.222 -5.328 -2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.032 -6.656 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.289 -5.579 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.407 -4.725 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.081 -4.003 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.972 -5.289 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.494 -7.017 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.023 -7.669 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.500 -7.969 -0.162 1.00 0.00 H new ATOM 931 N ASP A 70 -7.228 -7.840 -4.107 1.00 0.00 N ATOM 932 CA ASP A 70 -8.261 -8.699 -4.675 1.00 0.00 C ATOM 933 C ASP A 70 -7.657 -9.697 -5.657 1.00 0.00 C ATOM 934 O ASP A 70 -8.118 -10.835 -5.765 1.00 0.00 O ATOM 935 CB ASP A 70 -9.327 -7.856 -5.376 1.00 0.00 C ATOM 936 CG ASP A 70 -10.579 -8.651 -5.690 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.167 -9.228 -4.752 1.00 0.00 O ATOM 938 OD2 ASP A 70 -10.971 -8.696 -6.875 1.00 0.00 O ATOM 0 H ASP A 70 -7.167 -6.916 -4.534 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.726 -9.254 -3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.588 -7.007 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.916 -7.451 -6.301 1.00 0.00 H new ATOM 942 N VAL A 71 -6.624 -9.265 -6.373 1.00 0.00 N ATOM 943 CA VAL A 71 -5.957 -10.121 -7.347 1.00 0.00 C ATOM 944 C VAL A 71 -5.354 -11.350 -6.677 1.00 0.00 C ATOM 945 O VAL A 71 -5.467 -12.465 -7.185 1.00 0.00 O ATOM 946 CB VAL A 71 -4.845 -9.360 -8.094 1.00 0.00 C ATOM 947 CG1 VAL A 71 -4.173 -10.264 -9.117 1.00 0.00 C ATOM 948 CG2 VAL A 71 -5.408 -8.113 -8.760 1.00 0.00 C ATOM 0 H VAL A 71 -6.231 -8.327 -6.297 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.716 -10.437 -8.063 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.092 -9.049 -7.370 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.391 -9.709 -9.635 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.734 -11.123 -8.610 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.913 -10.608 -9.840 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.609 -7.588 -9.283 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.182 -8.399 -9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.837 -7.458 -8.002 1.00 0.00 H new ATOM 958 N ALA A 72 -4.713 -11.138 -5.532 1.00 0.00 N ATOM 959 CA ALA A 72 -4.094 -12.230 -4.790 1.00 0.00 C ATOM 960 C ALA A 72 -5.083 -13.369 -4.563 1.00 0.00 C ATOM 961 O ALA A 72 -4.741 -14.540 -4.724 1.00 0.00 O ATOM 962 CB ALA A 72 -3.552 -11.724 -3.461 1.00 0.00 C ATOM 0 H ALA A 72 -4.609 -10.221 -5.098 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.266 -12.617 -5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.093 -12.550 -2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.806 -10.950 -3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.368 -11.310 -2.869 1.00 0.00 H new ATOM 968 N GLN A 73 -6.308 -13.016 -4.186 1.00 0.00 N ATOM 969 CA GLN A 73 -7.344 -14.010 -3.934 1.00 0.00 C ATOM 970 C GLN A 73 -7.713 -14.750 -5.217 1.00 0.00 C ATOM 971 O GLN A 73 -8.041 -15.935 -5.189 1.00 0.00 O ATOM 972 CB GLN A 73 -8.586 -13.343 -3.341 1.00 0.00 C ATOM 973 CG GLN A 73 -8.290 -12.467 -2.135 1.00 0.00 C ATOM 974 CD GLN A 73 -9.542 -11.868 -1.525 1.00 0.00 C ATOM 975 OE1 GLN A 73 -10.348 -11.247 -2.219 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.711 -12.052 -0.222 1.00 0.00 N ATOM 0 H GLN A 73 -6.607 -12.050 -4.049 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.952 -14.733 -3.219 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.065 -12.737 -4.110 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.300 -14.115 -3.052 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.770 -13.058 -1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.615 -11.664 -2.431 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.017 -12.573 0.314 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.535 -11.672 0.244 1.00 0.00 H new ATOM 983 N ALA A 74 -7.656 -14.040 -6.339 1.00 0.00 N ATOM 984 CA ALA A 74 -7.982 -14.629 -7.632 1.00 0.00 C ATOM 985 C ALA A 74 -7.029 -15.769 -7.972 1.00 0.00 C ATOM 986 O ALA A 74 -7.459 -16.871 -8.307 1.00 0.00 O ATOM 987 CB ALA A 74 -7.946 -13.566 -8.720 1.00 0.00 C ATOM 0 H ALA A 74 -7.387 -13.057 -6.379 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.990 -15.039 -7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.191 -14.020 -9.680 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.672 -12.786 -8.491 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.948 -13.129 -8.769 1.00 0.00 H new ATOM 993 N ASN A 75 -5.731 -15.496 -7.883 1.00 0.00 N ATOM 994 CA ASN A 75 -4.715 -16.500 -8.182 1.00 0.00 C ATOM 995 C ASN A 75 -4.639 -17.544 -7.072 1.00 0.00 C ATOM 996 O ASN A 75 -4.391 -18.723 -7.330 1.00 0.00 O ATOM 997 CB ASN A 75 -3.350 -15.836 -8.367 1.00 0.00 C ATOM 998 CG ASN A 75 -3.396 -14.688 -9.357 1.00 0.00 C ATOM 999 OD1 ASN A 75 -3.319 -14.895 -10.568 1.00 0.00 O ATOM 1000 ND2 ASN A 75 -3.519 -13.469 -8.845 1.00 0.00 N ATOM 0 H ASN A 75 -5.358 -14.588 -7.606 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.996 -17.000 -9.109 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.994 -15.468 -7.405 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.631 -16.580 -8.710 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -3.553 -12.658 -9.462 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.579 -13.344 -7.834 1.00 0.00 H new ATOM 1006 N LEU A 76 -4.856 -17.104 -5.837 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.812 -18.000 -4.688 1.00 0.00 C ATOM 1008 C LEU A 76 -6.012 -18.943 -4.685 1.00 0.00 C ATOM 1009 O LEU A 76 -5.953 -20.037 -4.127 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.781 -17.193 -3.388 1.00 0.00 C ATOM 1011 CG LEU A 76 -3.433 -16.574 -3.015 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -3.549 -15.786 -1.720 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -2.366 -17.653 -2.893 1.00 0.00 C ATOM 0 H LEU A 76 -5.064 -16.132 -5.607 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.904 -18.598 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.518 -16.393 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.098 -17.843 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.137 -15.888 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.581 -15.353 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.282 -14.989 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.867 -16.451 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.414 -17.194 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.655 -18.364 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.265 -18.174 -3.845 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.099 -18.509 -5.316 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.296 -19.327 -5.378 1.00 0.00 C ATOM 1026 C GLY A 77 -9.022 -19.392 -4.049 1.00 0.00 C ATOM 1027 O GLY A 77 -10.028 -18.712 -3.851 1.00 0.00 O ATOM 0 H GLY A 77 -7.172 -17.606 -5.785 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.968 -18.926 -6.137 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.027 -20.336 -5.692 1.00 0.00 H new ATOM 1031 N GLU A 78 -8.512 -20.214 -3.137 1.00 0.00 N ATOM 1032 CA GLU A 78 -9.121 -20.366 -1.821 1.00 0.00 C ATOM 1033 C GLU A 78 -9.334 -19.008 -1.159 1.00 0.00 C ATOM 1034 O GLU A 78 -10.395 -18.739 -0.597 1.00 0.00 O ATOM 1035 CB GLU A 78 -8.247 -21.250 -0.929 1.00 0.00 C ATOM 1036 CG GLU A 78 -8.510 -22.736 -1.098 1.00 0.00 C ATOM 1037 CD GLU A 78 -8.177 -23.534 0.148 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -8.613 -23.130 1.245 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -7.478 -24.562 0.023 1.00 0.00 O ATOM 0 H GLU A 78 -7.679 -20.784 -3.285 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.093 -20.843 -1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.198 -21.048 -1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.413 -20.977 0.113 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.559 -22.889 -1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.921 -23.112 -1.934 1.00 0.00 H new ATOM 1044 N ALA A 79 -8.315 -18.156 -1.230 1.00 0.00 N ATOM 1045 CA ALA A 79 -8.390 -16.826 -0.640 1.00 0.00 C ATOM 1046 C ALA A 79 -9.637 -16.085 -1.111 1.00 0.00 C ATOM 1047 O ALA A 79 -10.177 -15.242 -0.395 1.00 0.00 O ATOM 1048 CB ALA A 79 -7.141 -16.026 -0.979 1.00 0.00 C ATOM 0 H ALA A 79 -7.429 -18.364 -1.690 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.453 -16.940 0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.211 -15.035 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.263 -16.539 -0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.053 -15.930 -2.061 1.00 0.00 H new ATOM 1054 N ALA A 80 -10.090 -16.406 -2.318 1.00 0.00 N ATOM 1055 CA ALA A 80 -11.275 -15.772 -2.884 1.00 0.00 C ATOM 1056 C ALA A 80 -12.538 -16.546 -2.521 1.00 0.00 C ATOM 1057 O ALA A 80 -12.512 -17.769 -2.387 1.00 0.00 O ATOM 1058 CB ALA A 80 -11.141 -15.656 -4.395 1.00 0.00 C ATOM 0 H ALA A 80 -9.654 -17.102 -2.923 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.359 -14.771 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.033 -15.181 -4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.265 -15.054 -4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -11.029 -16.650 -4.828 1.00 0.00 H new ATOM 1064 N GLY A 81 -13.643 -15.825 -2.361 1.00 0.00 N ATOM 1065 CA GLY A 81 -14.901 -16.460 -2.014 1.00 0.00 C ATOM 1066 C GLY A 81 -15.787 -16.691 -3.223 1.00 0.00 C ATOM 1067 O GLY A 81 -16.599 -17.616 -3.239 1.00 0.00 O ATOM 0 H GLY A 81 -13.690 -14.811 -2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.701 -17.414 -1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.431 -15.839 -1.292 1.00 0.00 H new ATOM 1071 N THR A 82 -15.633 -15.845 -4.236 1.00 0.00 N ATOM 1072 CA THR A 82 -16.428 -15.957 -5.453 1.00 0.00 C ATOM 1073 C THR A 82 -17.915 -15.805 -5.155 1.00 0.00 C ATOM 1074 O THR A 82 -18.566 -16.744 -4.698 1.00 0.00 O ATOM 1075 CB THR A 82 -16.193 -17.310 -6.154 1.00 0.00 C ATOM 1076 OG1 THR A 82 -14.805 -17.462 -6.473 1.00 0.00 O ATOM 1077 CG2 THR A 82 -17.025 -17.413 -7.423 1.00 0.00 C ATOM 0 H THR A 82 -14.965 -15.074 -4.238 1.00 0.00 H new ATOM 0 HA THR A 82 -16.109 -15.152 -6.114 1.00 0.00 H new ATOM 0 HB THR A 82 -16.498 -18.105 -5.473 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.664 -18.324 -6.916 1.00 0.00 H new ATOM 0 HG21 THR A 82 -16.843 -18.376 -7.900 1.00 0.00 H new ATOM 0 HG22 THR A 82 -18.082 -17.326 -7.173 1.00 0.00 H new ATOM 0 HG23 THR A 82 -16.747 -16.611 -8.106 1.00 0.00 H new ATOM 1085 N TYR A 83 -18.447 -14.616 -5.416 1.00 0.00 N ATOM 1086 CA TYR A 83 -19.858 -14.340 -5.173 1.00 0.00 C ATOM 1087 C TYR A 83 -20.504 -13.694 -6.395 1.00 0.00 C ATOM 1088 O TYR A 83 -19.815 -13.207 -7.292 1.00 0.00 O ATOM 1089 CB TYR A 83 -20.018 -13.428 -3.956 1.00 0.00 C ATOM 1090 CG TYR A 83 -19.912 -11.956 -4.284 1.00 0.00 C ATOM 1091 CD1 TYR A 83 -21.032 -11.225 -4.660 1.00 0.00 C ATOM 1092 CD2 TYR A 83 -18.691 -11.295 -4.218 1.00 0.00 C ATOM 1093 CE1 TYR A 83 -20.940 -9.880 -4.961 1.00 0.00 C ATOM 1094 CE2 TYR A 83 -18.590 -9.951 -4.515 1.00 0.00 C ATOM 1095 CZ TYR A 83 -19.717 -9.247 -4.887 1.00 0.00 C ATOM 1096 OH TYR A 83 -19.620 -7.907 -5.185 1.00 0.00 O ATOM 0 H TYR A 83 -17.922 -13.828 -5.796 1.00 0.00 H new ATOM 0 HA TYR A 83 -20.360 -15.288 -4.977 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -20.986 -13.620 -3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -19.257 -13.683 -3.219 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -21.992 -11.717 -4.718 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -17.806 -11.843 -3.929 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -21.821 -9.327 -5.253 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -17.634 -9.453 -4.457 1.00 0.00 H new ATOM 0 HH TYR A 83 -18.690 -7.616 -5.083 1.00 0.00 H new ATOM 1105 N VAL A 84 -21.832 -13.693 -6.422 1.00 0.00 N ATOM 1106 CA VAL A 84 -22.574 -13.106 -7.531 1.00 0.00 C ATOM 1107 C VAL A 84 -23.842 -12.415 -7.041 1.00 0.00 C ATOM 1108 O VAL A 84 -24.939 -12.960 -7.149 1.00 0.00 O ATOM 1109 CB VAL A 84 -22.956 -14.171 -8.577 1.00 0.00 C ATOM 1110 CG1 VAL A 84 -23.695 -13.533 -9.743 1.00 0.00 C ATOM 1111 CG2 VAL A 84 -21.717 -14.909 -9.061 1.00 0.00 C ATOM 0 H VAL A 84 -22.417 -14.092 -5.688 1.00 0.00 H new ATOM 0 HA VAL A 84 -21.918 -12.369 -7.995 1.00 0.00 H new ATOM 0 HB VAL A 84 -23.623 -14.894 -8.107 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -23.957 -14.300 -10.472 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -24.604 -13.053 -9.379 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -23.055 -12.788 -10.215 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -22.005 -15.658 -9.799 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -21.025 -14.199 -9.514 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -21.233 -15.399 -8.217 1.00 0.00 H new ATOM 1121 N ALA A 85 -23.682 -11.211 -6.502 1.00 0.00 N ATOM 1122 CA ALA A 85 -24.813 -10.444 -5.997 1.00 0.00 C ATOM 1123 C ALA A 85 -25.626 -9.846 -7.141 1.00 0.00 C ATOM 1124 O ALA A 85 -25.651 -8.630 -7.327 1.00 0.00 O ATOM 1125 CB ALA A 85 -24.331 -9.346 -5.060 1.00 0.00 C ATOM 0 H ALA A 85 -22.780 -10.746 -6.404 1.00 0.00 H new ATOM 0 HA ALA A 85 -25.460 -11.122 -5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -25.187 -8.781 -4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -23.800 -9.792 -4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -23.660 -8.677 -5.598 1.00 0.00 H new ATOM 1131 N ALA A 86 -26.289 -10.710 -7.903 1.00 0.00 N ATOM 1132 CA ALA A 86 -27.103 -10.266 -9.028 1.00 0.00 C ATOM 1133 C ALA A 86 -28.550 -10.042 -8.603 1.00 0.00 C ATOM 1134 O ALA A 86 -29.231 -9.159 -9.124 1.00 0.00 O ATOM 1135 CB ALA A 86 -27.035 -11.280 -10.161 1.00 0.00 C ATOM 0 H ALA A 86 -26.278 -11.720 -7.762 1.00 0.00 H new ATOM 0 HA ALA A 86 -26.704 -9.315 -9.381 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -27.647 -10.936 -10.995 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -26.002 -11.389 -10.490 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -27.407 -12.243 -9.811 1.00 0.00 H new ATOM 1141 N ASP A 87 -29.015 -10.847 -7.654 1.00 0.00 N ATOM 1142 CA ASP A 87 -30.382 -10.737 -7.158 1.00 0.00 C ATOM 1143 C ASP A 87 -31.388 -11.032 -8.268 1.00 0.00 C ATOM 1144 O ASP A 87 -31.015 -11.198 -9.428 1.00 0.00 O ATOM 1145 CB ASP A 87 -30.629 -9.339 -6.588 1.00 0.00 C ATOM 1146 CG ASP A 87 -31.360 -9.377 -5.261 1.00 0.00 C ATOM 1147 OD1 ASP A 87 -30.701 -9.608 -4.226 1.00 0.00 O ATOM 1148 OD2 ASP A 87 -32.593 -9.176 -5.257 1.00 0.00 O ATOM 0 H ASP A 87 -28.465 -11.584 -7.212 1.00 0.00 H new ATOM 0 HA ASP A 87 -30.516 -11.473 -6.365 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -29.675 -8.828 -6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -31.209 -8.755 -7.303 1.00 0.00 H new ATOM 1152 N ALA A 88 -32.663 -11.095 -7.901 1.00 0.00 N ATOM 1153 CA ALA A 88 -33.722 -11.369 -8.864 1.00 0.00 C ATOM 1154 C ALA A 88 -34.473 -10.093 -9.232 1.00 0.00 C ATOM 1155 O ALA A 88 -34.931 -9.936 -10.363 1.00 0.00 O ATOM 1156 CB ALA A 88 -34.684 -12.409 -8.310 1.00 0.00 C ATOM 0 H ALA A 88 -32.988 -10.960 -6.944 1.00 0.00 H new ATOM 0 HA ALA A 88 -33.262 -11.763 -9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -35.470 -12.603 -9.040 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -34.143 -13.333 -8.105 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -35.130 -12.037 -7.388 1.00 0.00 H new ATOM 1162 N ALA A 89 -34.597 -9.187 -8.268 1.00 0.00 N ATOM 1163 CA ALA A 89 -35.291 -7.925 -8.491 1.00 0.00 C ATOM 1164 C ALA A 89 -34.423 -6.952 -9.282 1.00 0.00 C ATOM 1165 O ALA A 89 -34.925 -6.178 -10.096 1.00 0.00 O ATOM 1166 CB ALA A 89 -35.703 -7.307 -7.163 1.00 0.00 C ATOM 0 H ALA A 89 -34.226 -9.304 -7.325 1.00 0.00 H new ATOM 0 HA ALA A 89 -36.186 -8.131 -9.077 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -36.220 -6.365 -7.345 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -36.368 -7.990 -6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -34.816 -7.123 -6.557 1.00 0.00 H new ATOM 1172 N ALA A 90 -33.117 -6.998 -9.036 1.00 0.00 N ATOM 1173 CA ALA A 90 -32.179 -6.122 -9.727 1.00 0.00 C ATOM 1174 C ALA A 90 -32.236 -6.337 -11.236 1.00 0.00 C ATOM 1175 O ALA A 90 -31.942 -5.429 -12.013 1.00 0.00 O ATOM 1176 CB ALA A 90 -30.766 -6.351 -9.212 1.00 0.00 C ATOM 0 H ALA A 90 -32.685 -7.632 -8.364 1.00 0.00 H new ATOM 0 HA ALA A 90 -32.466 -5.090 -9.523 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -30.076 -5.690 -9.737 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -30.729 -6.139 -8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -30.479 -7.388 -9.386 1.00 0.00 H new ATOM 1182 N ALA A 91 -32.614 -7.544 -11.643 1.00 0.00 N ATOM 1183 CA ALA A 91 -32.710 -7.878 -13.059 1.00 0.00 C ATOM 1184 C ALA A 91 -33.878 -7.151 -13.716 1.00 0.00 C ATOM 1185 O ALA A 91 -33.691 -6.374 -14.652 1.00 0.00 O ATOM 1186 CB ALA A 91 -32.853 -9.382 -13.237 1.00 0.00 C ATOM 0 H ALA A 91 -32.859 -8.307 -11.012 1.00 0.00 H new ATOM 0 HA ALA A 91 -31.792 -7.551 -13.548 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -32.924 -9.618 -14.299 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -31.984 -9.883 -12.811 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -33.754 -9.724 -12.729 1.00 0.00 H new ATOM 1192 N SER A 92 -35.085 -7.410 -13.220 1.00 0.00 N ATOM 1193 CA SER A 92 -36.284 -6.783 -13.763 1.00 0.00 C ATOM 1194 C SER A 92 -36.932 -5.866 -12.731 1.00 0.00 C ATOM 1195 O SER A 92 -37.162 -6.262 -11.587 1.00 0.00 O ATOM 1196 CB SER A 92 -37.283 -7.850 -14.213 1.00 0.00 C ATOM 1197 OG SER A 92 -37.031 -8.254 -15.547 1.00 0.00 O ATOM 0 H SER A 92 -35.257 -8.049 -12.444 1.00 0.00 H new ATOM 0 HA SER A 92 -35.992 -6.182 -14.624 1.00 0.00 H new ATOM 0 HB2 SER A 92 -37.221 -8.713 -13.550 1.00 0.00 H new ATOM 0 HB3 SER A 92 -38.298 -7.459 -14.133 1.00 0.00 H new ATOM 0 HG SER A 92 -37.682 -8.938 -15.810 1.00 0.00 H new ATOM 1202 N THR A 93 -37.226 -4.636 -13.141 1.00 0.00 N ATOM 1203 CA THR A 93 -37.847 -3.661 -12.255 1.00 0.00 C ATOM 1204 C THR A 93 -38.555 -2.569 -13.047 1.00 0.00 C ATOM 1205 O THR A 93 -37.940 -1.582 -13.451 1.00 0.00 O ATOM 1206 CB THR A 93 -36.808 -3.011 -11.321 1.00 0.00 C ATOM 1207 OG1 THR A 93 -37.385 -1.879 -10.660 1.00 0.00 O ATOM 1208 CG2 THR A 93 -35.577 -2.576 -12.100 1.00 0.00 C ATOM 0 H THR A 93 -37.043 -4.292 -14.084 1.00 0.00 H new ATOM 0 HA THR A 93 -38.579 -4.201 -11.654 1.00 0.00 H new ATOM 0 HB THR A 93 -36.506 -3.750 -10.579 1.00 0.00 H new ATOM 0 HG1 THR A 93 -36.719 -1.472 -10.067 1.00 0.00 H new ATOM 0 HG21 THR A 93 -34.858 -2.120 -11.419 1.00 0.00 H new ATOM 0 HG22 THR A 93 -35.124 -3.444 -12.578 1.00 0.00 H new ATOM 0 HG23 THR A 93 -35.866 -1.851 -12.861 1.00 0.00 H new ATOM 1216 N TYR A 94 -39.853 -2.751 -13.266 1.00 0.00 N ATOM 1217 CA TYR A 94 -40.646 -1.781 -14.012 1.00 0.00 C ATOM 1218 C TYR A 94 -42.033 -1.623 -13.398 1.00 0.00 C ATOM 1219 O TYR A 94 -42.300 -2.115 -12.301 1.00 0.00 O ATOM 1220 CB TYR A 94 -40.768 -2.210 -15.475 1.00 0.00 C ATOM 1221 CG TYR A 94 -39.551 -2.936 -15.997 1.00 0.00 C ATOM 1222 CD1 TYR A 94 -39.421 -4.312 -15.849 1.00 0.00 C ATOM 1223 CD2 TYR A 94 -38.528 -2.249 -16.639 1.00 0.00 C ATOM 1224 CE1 TYR A 94 -38.310 -4.980 -16.325 1.00 0.00 C ATOM 1225 CE2 TYR A 94 -37.414 -2.909 -17.119 1.00 0.00 C ATOM 1226 CZ TYR A 94 -37.309 -4.275 -16.958 1.00 0.00 C ATOM 1227 OH TYR A 94 -36.200 -4.936 -17.434 1.00 0.00 O ATOM 0 H TYR A 94 -40.378 -3.561 -12.937 1.00 0.00 H new ATOM 0 HA TYR A 94 -40.137 -0.818 -13.964 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -41.640 -2.855 -15.584 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -40.946 -1.328 -16.090 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -40.203 -4.868 -15.353 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -38.606 -1.179 -16.765 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -38.226 -6.050 -16.202 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -36.630 -2.359 -17.618 1.00 0.00 H new ATOM 0 HH TYR A 94 -35.591 -4.293 -17.854 1.00 0.00 H new ATOM 1236 N THR A 95 -42.916 -0.935 -14.115 1.00 0.00 N ATOM 1237 CA THR A 95 -44.276 -0.711 -13.642 1.00 0.00 C ATOM 1238 C THR A 95 -45.094 0.066 -14.669 1.00 0.00 C ATOM 1239 O THR A 95 -44.607 1.025 -15.267 1.00 0.00 O ATOM 1240 CB THR A 95 -44.288 0.056 -12.306 1.00 0.00 C ATOM 1241 OG1 THR A 95 -43.003 0.640 -12.065 1.00 0.00 O ATOM 1242 CG2 THR A 95 -44.655 -0.868 -11.155 1.00 0.00 C ATOM 0 H THR A 95 -42.713 -0.523 -15.026 1.00 0.00 H new ATOM 0 HA THR A 95 -44.724 -1.693 -13.492 1.00 0.00 H new ATOM 0 HB THR A 95 -45.038 0.844 -12.371 1.00 0.00 H new ATOM 0 HG1 THR A 95 -43.019 1.127 -11.215 1.00 0.00 H new ATOM 0 HG21 THR A 95 -44.657 -0.304 -10.222 1.00 0.00 H new ATOM 0 HG22 THR A 95 -45.646 -1.288 -11.327 1.00 0.00 H new ATOM 0 HG23 THR A 95 -43.925 -1.675 -11.089 1.00 0.00 H new ATOM 1250 N GLY A 96 -46.340 -0.354 -14.866 1.00 0.00 N ATOM 1251 CA GLY A 96 -47.206 0.315 -15.820 1.00 0.00 C ATOM 1252 C GLY A 96 -48.009 1.436 -15.189 1.00 0.00 C ATOM 1253 O GLY A 96 -47.630 2.603 -15.272 1.00 0.00 O ATOM 0 H GLY A 96 -46.765 -1.145 -14.382 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -46.602 0.718 -16.633 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -47.888 -0.413 -16.260 1.00 0.00 H new ATOM 1257 N PHE A 97 -49.121 1.079 -14.556 1.00 0.00 N ATOM 1258 CA PHE A 97 -49.982 2.064 -13.910 1.00 0.00 C ATOM 1259 C PHE A 97 -50.498 3.082 -14.923 1.00 0.00 C ATOM 1260 O PHE A 97 -51.581 2.891 -15.472 1.00 0.00 O ATOM 1261 CB PHE A 97 -49.224 2.778 -12.791 1.00 0.00 C ATOM 1262 CG PHE A 97 -50.028 2.947 -11.534 1.00 0.00 C ATOM 1263 CD1 PHE A 97 -50.023 1.967 -10.555 1.00 0.00 C ATOM 1264 CD2 PHE A 97 -50.792 4.086 -11.332 1.00 0.00 C ATOM 1265 CE1 PHE A 97 -50.762 2.119 -9.398 1.00 0.00 C ATOM 1266 CE2 PHE A 97 -51.533 4.245 -10.176 1.00 0.00 C ATOM 1267 CZ PHE A 97 -51.519 3.260 -9.208 1.00 0.00 C ATOM 0 H PHE A 97 -49.448 0.116 -14.476 1.00 0.00 H new ATOM 0 HA PHE A 97 -50.836 1.540 -13.482 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -48.319 2.216 -12.561 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -48.909 3.759 -13.146 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -49.434 1.073 -10.698 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -50.808 4.858 -12.087 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -50.748 1.347 -8.643 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -52.122 5.138 -10.030 1.00 0.00 H new ATOM 0 HZ PHE A 97 -52.098 3.381 -8.305 1.00 0.00 H new TER 1276 PHE A 97 ATOM 1277 N SER B 601 7.508 32.285 3.354 1.00 0.00 N ATOM 1278 CA SER B 601 7.901 32.594 4.724 1.00 0.00 C ATOM 1279 C SER B 601 8.596 31.400 5.371 1.00 0.00 C ATOM 1280 O SER B 601 9.464 31.564 6.229 1.00 0.00 O ATOM 1281 CB SER B 601 6.677 32.996 5.549 1.00 0.00 C ATOM 1282 OG SER B 601 6.352 34.359 5.348 1.00 0.00 O ATOM 0 HA SER B 601 8.601 33.429 4.697 1.00 0.00 H new ATOM 0 HB2 SER B 601 5.827 32.372 5.272 1.00 0.00 H new ATOM 0 HB3 SER B 601 6.873 32.818 6.606 1.00 0.00 H new ATOM 0 HG SER B 601 5.565 34.590 5.885 1.00 0.00 H new ATOM 1287 N MET B 602 8.207 30.199 4.955 1.00 0.00 N ATOM 1288 CA MET B 602 8.794 28.978 5.494 1.00 0.00 C ATOM 1289 C MET B 602 9.984 28.529 4.652 1.00 0.00 C ATOM 1290 O MET B 602 10.037 27.387 4.194 1.00 0.00 O ATOM 1291 CB MET B 602 7.745 27.865 5.549 1.00 0.00 C ATOM 1292 CG MET B 602 6.847 27.937 6.775 1.00 0.00 C ATOM 1293 SD MET B 602 5.391 26.885 6.629 1.00 0.00 S ATOM 1294 CE MET B 602 6.025 25.338 7.269 1.00 0.00 C ATOM 0 H MET B 602 7.489 30.046 4.247 1.00 0.00 H new ATOM 0 HA MET B 602 9.145 29.188 6.504 1.00 0.00 H new ATOM 0 HB2 MET B 602 7.127 27.915 4.652 1.00 0.00 H new ATOM 0 HB3 MET B 602 8.250 26.899 5.535 1.00 0.00 H new ATOM 0 HG2 MET B 602 7.417 27.642 7.656 1.00 0.00 H new ATOM 0 HG3 MET B 602 6.531 28.969 6.930 1.00 0.00 H new ATOM 0 HE1 MET B 602 5.201 24.740 7.658 1.00 0.00 H new ATOM 0 HE2 MET B 602 6.524 24.791 6.469 1.00 0.00 H new ATOM 0 HE3 MET B 602 6.737 25.540 8.070 1.00 0.00 H new ATOM 1302 N SER B 603 10.936 29.434 4.452 1.00 0.00 N ATOM 1303 CA SER B 603 12.124 29.132 3.661 1.00 0.00 C ATOM 1304 C SER B 603 13.374 29.136 4.535 1.00 0.00 C ATOM 1305 O SER B 603 14.438 28.680 4.117 1.00 0.00 O ATOM 1306 CB SER B 603 12.278 30.146 2.526 1.00 0.00 C ATOM 1307 OG SER B 603 13.642 30.315 2.176 1.00 0.00 O ATOM 0 H SER B 603 10.908 30.382 4.826 1.00 0.00 H new ATOM 0 HA SER B 603 12.003 28.136 3.235 1.00 0.00 H new ATOM 0 HB2 SER B 603 11.714 29.811 1.655 1.00 0.00 H new ATOM 0 HB3 SER B 603 11.856 31.104 2.830 1.00 0.00 H new ATOM 0 HG SER B 603 14.154 29.533 2.470 1.00 0.00 H new ATOM 1312 N GLN B 604 13.236 29.654 5.752 1.00 0.00 N ATOM 1313 CA GLN B 604 14.354 29.718 6.686 1.00 0.00 C ATOM 1314 C GLN B 604 14.428 28.454 7.535 1.00 0.00 C ATOM 1315 O GLN B 604 15.167 28.397 8.517 1.00 0.00 O ATOM 1316 CB GLN B 604 14.223 30.946 7.587 1.00 0.00 C ATOM 1317 CG GLN B 604 13.051 30.869 8.553 1.00 0.00 C ATOM 1318 CD GLN B 604 12.876 32.140 9.362 1.00 0.00 C ATOM 1319 OE1 GLN B 604 12.601 33.207 8.812 1.00 0.00 O ATOM 1320 NE2 GLN B 604 13.036 32.032 10.676 1.00 0.00 N ATOM 0 H GLN B 604 12.362 30.035 6.114 1.00 0.00 H new ATOM 0 HA GLN B 604 15.274 29.798 6.107 1.00 0.00 H new ATOM 0 HB2 GLN B 604 15.145 31.069 8.156 1.00 0.00 H new ATOM 0 HB3 GLN B 604 14.112 31.833 6.964 1.00 0.00 H new ATOM 0 HG2 GLN B 604 12.137 30.670 7.994 1.00 0.00 H new ATOM 0 HG3 GLN B 604 13.199 30.029 9.231 1.00 0.00 H new ATOM 0 HE21 GLN B 604 13.264 31.128 11.089 1.00 0.00 H new ATOM 0 HE22 GLN B 604 12.931 32.853 11.272 1.00 0.00 H new ATOM 1327 N ILE B 605 13.657 27.443 7.150 1.00 0.00 N ATOM 1328 CA ILE B 605 13.634 26.180 7.876 1.00 0.00 C ATOM 1329 C ILE B 605 14.323 25.076 7.080 1.00 0.00 C ATOM 1330 O ILE B 605 14.945 25.335 6.050 1.00 0.00 O ATOM 1331 CB ILE B 605 12.195 25.742 8.201 1.00 0.00 C ATOM 1332 CG1 ILE B 605 11.237 26.929 8.078 1.00 0.00 C ATOM 1333 CG2 ILE B 605 12.126 25.140 9.597 1.00 0.00 C ATOM 1334 CD1 ILE B 605 11.503 28.026 9.085 1.00 0.00 C ATOM 0 H ILE B 605 13.040 27.474 6.339 1.00 0.00 H new ATOM 0 HA ILE B 605 14.173 26.343 8.809 1.00 0.00 H new ATOM 0 HB ILE B 605 11.892 24.980 7.483 1.00 0.00 H new ATOM 0 HG12 ILE B 605 11.312 27.344 7.073 1.00 0.00 H new ATOM 0 HG13 ILE B 605 10.214 26.574 8.201 1.00 0.00 H new ATOM 0 HG21 ILE B 605 11.102 24.835 9.812 1.00 0.00 H new ATOM 0 HG22 ILE B 605 12.782 24.271 9.651 1.00 0.00 H new ATOM 0 HG23 ILE B 605 12.445 25.882 10.329 1.00 0.00 H new ATOM 0 HD11 ILE B 605 10.787 28.835 8.940 1.00 0.00 H new ATOM 0 HD12 ILE B 605 11.399 27.627 10.094 1.00 0.00 H new ATOM 0 HD13 ILE B 605 12.515 28.408 8.948 1.00 0.00 H new ATOM 1345 N MET B 606 14.203 23.843 7.562 1.00 0.00 N ATOM 1346 CA MET B 606 14.811 22.699 6.892 1.00 0.00 C ATOM 1347 C MET B 606 14.195 22.484 5.514 1.00 0.00 C ATOM 1348 O MET B 606 13.037 22.080 5.397 1.00 0.00 O ATOM 1349 CB MET B 606 14.643 21.436 7.741 1.00 0.00 C ATOM 1350 CG MET B 606 13.197 21.132 8.097 1.00 0.00 C ATOM 1351 SD MET B 606 13.046 20.125 9.585 1.00 0.00 S ATOM 1352 CE MET B 606 13.343 21.352 10.856 1.00 0.00 C ATOM 0 H MET B 606 13.691 23.611 8.413 1.00 0.00 H new ATOM 0 HA MET B 606 15.874 22.906 6.766 1.00 0.00 H new ATOM 0 HB2 MET B 606 15.062 20.587 7.201 1.00 0.00 H new ATOM 0 HB3 MET B 606 15.219 21.546 8.660 1.00 0.00 H new ATOM 0 HG2 MET B 606 12.657 22.068 8.240 1.00 0.00 H new ATOM 0 HG3 MET B 606 12.722 20.615 7.263 1.00 0.00 H new ATOM 0 HE1 MET B 606 13.127 20.922 11.834 1.00 0.00 H new ATOM 0 HE2 MET B 606 14.386 21.668 10.821 1.00 0.00 H new ATOM 0 HE3 MET B 606 12.697 22.214 10.688 1.00 0.00 H new ATOM 1360 N TYR B 607 14.973 22.759 4.473 1.00 0.00 N ATOM 1361 CA TYR B 607 14.502 22.599 3.103 1.00 0.00 C ATOM 1362 C TYR B 607 15.670 22.361 2.150 1.00 0.00 C ATOM 1363 O TYR B 607 16.375 23.294 1.769 1.00 0.00 O ATOM 1364 CB TYR B 607 13.715 23.836 2.664 1.00 0.00 C ATOM 1365 CG TYR B 607 12.340 23.930 3.286 1.00 0.00 C ATOM 1366 CD1 TYR B 607 11.248 23.299 2.703 1.00 0.00 C ATOM 1367 CD2 TYR B 607 12.132 24.651 4.454 1.00 0.00 C ATOM 1368 CE1 TYR B 607 9.990 23.383 3.266 1.00 0.00 C ATOM 1369 CE2 TYR B 607 10.878 24.740 5.026 1.00 0.00 C ATOM 1370 CZ TYR B 607 9.809 24.104 4.428 1.00 0.00 C ATOM 1371 OH TYR B 607 8.558 24.191 4.993 1.00 0.00 O ATOM 0 H TYR B 607 15.933 23.094 4.552 1.00 0.00 H new ATOM 0 HA TYR B 607 13.846 21.729 3.070 1.00 0.00 H new ATOM 0 HB2 TYR B 607 14.284 24.729 2.923 1.00 0.00 H new ATOM 0 HB3 TYR B 607 13.614 23.826 1.579 1.00 0.00 H new ATOM 0 HD1 TYR B 607 11.386 22.733 1.794 1.00 0.00 H new ATOM 0 HD2 TYR B 607 12.966 25.151 4.924 1.00 0.00 H new ATOM 0 HE1 TYR B 607 9.152 22.887 2.799 1.00 0.00 H new ATOM 0 HE2 TYR B 607 10.735 25.304 5.936 1.00 0.00 H new ATOM 0 HH TYR B 607 8.604 24.734 5.807 1.00 0.00 H new ATOM 1380 N ASN B 608 15.866 21.102 1.769 1.00 0.00 N ATOM 1381 CA ASN B 608 16.948 20.740 0.860 1.00 0.00 C ATOM 1382 C ASN B 608 16.394 20.204 -0.457 1.00 0.00 C ATOM 1383 O ASN B 608 16.501 20.854 -1.497 1.00 0.00 O ATOM 1384 CB ASN B 608 17.856 19.693 1.508 1.00 0.00 C ATOM 1385 CG ASN B 608 18.915 20.317 2.397 1.00 0.00 C ATOM 1386 OD1 ASN B 608 18.808 20.287 3.624 1.00 0.00 O ATOM 1387 ND2 ASN B 608 19.944 20.888 1.782 1.00 0.00 N ATOM 0 H ASN B 608 15.291 20.317 2.075 1.00 0.00 H new ATOM 0 HA ASN B 608 17.531 21.637 0.651 1.00 0.00 H new ATOM 0 HB2 ASN B 608 17.250 19.005 2.097 1.00 0.00 H new ATOM 0 HB3 ASN B 608 18.340 19.104 0.729 1.00 0.00 H new ATOM 0 HD21 ASN B 608 20.686 21.325 2.328 1.00 0.00 H new ATOM 0 HD22 ASN B 608 19.992 20.890 0.763 1.00 0.00 H new ATOM 1393 N TYR B 609 15.803 19.016 -0.404 1.00 0.00 N ATOM 1394 CA TYR B 609 15.235 18.391 -1.593 1.00 0.00 C ATOM 1395 C TYR B 609 13.711 18.373 -1.523 1.00 0.00 C ATOM 1396 O TYR B 609 13.112 18.500 -0.455 1.00 0.00 O ATOM 1397 CB TYR B 609 15.768 16.966 -1.751 1.00 0.00 C ATOM 1398 CG TYR B 609 16.996 16.872 -2.627 1.00 0.00 C ATOM 1399 CD1 TYR B 609 18.146 17.592 -2.326 1.00 0.00 C ATOM 1400 CD2 TYR B 609 17.007 16.064 -3.757 1.00 0.00 C ATOM 1401 CE1 TYR B 609 19.270 17.509 -3.124 1.00 0.00 C ATOM 1402 CE2 TYR B 609 18.127 15.974 -4.561 1.00 0.00 C ATOM 1403 CZ TYR B 609 19.256 16.699 -4.241 1.00 0.00 C ATOM 1404 OH TYR B 609 20.374 16.614 -5.037 1.00 0.00 O ATOM 0 H TYR B 609 15.705 18.466 0.449 1.00 0.00 H new ATOM 0 HA TYR B 609 15.534 18.980 -2.460 1.00 0.00 H new ATOM 0 HB2 TYR B 609 16.003 16.564 -0.766 1.00 0.00 H new ATOM 0 HB3 TYR B 609 14.983 16.338 -2.172 1.00 0.00 H new ATOM 0 HD1 TYR B 609 18.161 18.227 -1.453 1.00 0.00 H new ATOM 0 HD2 TYR B 609 16.124 15.496 -4.012 1.00 0.00 H new ATOM 0 HE1 TYR B 609 20.155 18.075 -2.875 1.00 0.00 H new ATOM 0 HE2 TYR B 609 18.119 15.340 -5.435 1.00 0.00 H new ATOM 0 HH TYR B 609 20.200 16.001 -5.781 1.00 0.00 H new ATOM 1413 N PRO B 610 13.068 18.207 -2.689 1.00 0.00 N ATOM 1414 CA PRO B 610 11.606 18.165 -2.787 1.00 0.00 C ATOM 1415 C PRO B 610 11.020 16.900 -2.171 1.00 0.00 C ATOM 1416 O PRO B 610 9.835 16.849 -1.845 1.00 0.00 O ATOM 1417 CB PRO B 610 11.351 18.194 -4.295 1.00 0.00 C ATOM 1418 CG PRO B 610 12.589 17.629 -4.900 1.00 0.00 C ATOM 1419 CD PRO B 610 13.719 18.048 -4.000 1.00 0.00 C ATOM 0 HA PRO B 610 11.137 18.987 -2.246 1.00 0.00 H new ATOM 0 HB2 PRO B 610 10.475 17.602 -4.560 1.00 0.00 H new ATOM 0 HB3 PRO B 610 11.167 19.209 -4.646 1.00 0.00 H new ATOM 0 HG2 PRO B 610 12.528 16.543 -4.970 1.00 0.00 H new ATOM 0 HG3 PRO B 610 12.736 18.006 -5.912 1.00 0.00 H new ATOM 0 HD2 PRO B 610 14.508 17.297 -3.969 1.00 0.00 H new ATOM 0 HD3 PRO B 610 14.178 18.978 -4.337 1.00 0.00 H new ATOM 1424 N ALA B 611 11.858 15.880 -2.016 1.00 0.00 N ATOM 1425 CA ALA B 611 11.423 14.615 -1.437 1.00 0.00 C ATOM 1426 C ALA B 611 10.738 14.833 -0.092 1.00 0.00 C ATOM 1427 O ALA B 611 9.687 14.253 0.181 1.00 0.00 O ATOM 1428 CB ALA B 611 12.605 13.670 -1.282 1.00 0.00 C ATOM 0 H ALA B 611 12.842 15.905 -2.283 1.00 0.00 H new ATOM 0 HA ALA B 611 10.699 14.164 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA B 611 12.265 12.730 -0.848 1.00 0.00 H new ATOM 0 HB2 ALA B 611 13.049 13.479 -2.259 1.00 0.00 H new ATOM 0 HB3 ALA B 611 13.350 14.123 -0.627 1.00 0.00 H new ATOM 1434 N MET B 612 11.340 15.672 0.744 1.00 0.00 N ATOM 1435 CA MET B 612 10.787 15.966 2.060 1.00 0.00 C ATOM 1436 C MET B 612 9.827 17.150 1.995 1.00 0.00 C ATOM 1437 O MET B 612 8.618 16.993 2.168 1.00 0.00 O ATOM 1438 CB MET B 612 11.911 16.261 3.056 1.00 0.00 C ATOM 1439 CG MET B 612 12.942 15.147 3.154 1.00 0.00 C ATOM 1440 SD MET B 612 13.658 15.008 4.803 1.00 0.00 S ATOM 1441 CE MET B 612 13.611 13.233 5.042 1.00 0.00 C ATOM 0 H MET B 612 12.211 16.160 0.533 1.00 0.00 H new ATOM 0 HA MET B 612 10.233 15.090 2.397 1.00 0.00 H new ATOM 0 HB2 MET B 612 12.412 17.184 2.764 1.00 0.00 H new ATOM 0 HB3 MET B 612 11.477 16.432 4.041 1.00 0.00 H new ATOM 0 HG2 MET B 612 12.475 14.200 2.884 1.00 0.00 H new ATOM 0 HG3 MET B 612 13.737 15.328 2.431 1.00 0.00 H new ATOM 0 HE1 MET B 612 14.022 12.987 6.021 1.00 0.00 H new ATOM 0 HE2 MET B 612 12.580 12.885 4.983 1.00 0.00 H new ATOM 0 HE3 MET B 612 14.203 12.746 4.267 1.00 0.00 H new ATOM 1449 N LEU B 613 10.374 18.335 1.744 1.00 0.00 N ATOM 1450 CA LEU B 613 9.566 19.547 1.655 1.00 0.00 C ATOM 1451 C LEU B 613 8.730 19.737 2.917 1.00 0.00 C ATOM 1452 O LEU B 613 7.502 19.760 2.862 1.00 0.00 O ATOM 1453 CB LEU B 613 8.654 19.487 0.430 1.00 0.00 C ATOM 1454 CG LEU B 613 7.821 20.738 0.151 1.00 0.00 C ATOM 1455 CD1 LEU B 613 8.509 21.618 -0.881 1.00 0.00 C ATOM 1456 CD2 LEU B 613 6.425 20.356 -0.318 1.00 0.00 C ATOM 0 H LEU B 613 11.373 18.482 1.599 1.00 0.00 H new ATOM 0 HA LEU B 613 10.240 20.398 1.556 1.00 0.00 H new ATOM 0 HB2 LEU B 613 9.269 19.282 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU B 613 7.976 18.642 0.548 1.00 0.00 H new ATOM 0 HG LEU B 613 7.729 21.304 1.078 1.00 0.00 H new ATOM 0 HD11 LEU B 613 7.901 22.504 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU B 613 9.487 21.921 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU B 613 8.632 21.061 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU B 613 5.846 21.259 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU B 613 6.497 19.768 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU B 613 5.930 19.767 0.454 1.00 0.00 H new ATOM 1467 N GLY B 614 9.406 19.874 4.054 1.00 0.00 N ATOM 1468 CA GLY B 614 8.709 20.064 5.314 1.00 0.00 C ATOM 1469 C GLY B 614 9.250 19.173 6.414 1.00 0.00 C ATOM 1470 O GLY B 614 9.721 19.661 7.443 1.00 0.00 O ATOM 0 H GLY B 614 10.423 19.857 4.125 1.00 0.00 H new ATOM 0 HA2 GLY B 614 8.795 21.107 5.620 1.00 0.00 H new ATOM 0 HA3 GLY B 614 7.648 19.859 5.173 1.00 0.00 H new ATOM 1474 N HIS B 615 9.181 17.863 6.201 1.00 0.00 N ATOM 1475 CA HIS B 615 9.667 16.902 7.184 1.00 0.00 C ATOM 1476 C HIS B 615 8.883 17.015 8.488 1.00 0.00 C ATOM 1477 O HIS B 615 9.253 17.776 9.382 1.00 0.00 O ATOM 1478 CB HIS B 615 11.157 17.121 7.450 1.00 0.00 C ATOM 1479 CG HIS B 615 11.824 15.956 8.115 1.00 0.00 C ATOM 1480 ND1 HIS B 615 11.130 14.982 8.803 1.00 0.00 N ATOM 1481 CD2 HIS B 615 13.130 15.611 8.195 1.00 0.00 C ATOM 1482 CE1 HIS B 615 11.980 14.091 9.276 1.00 0.00 C ATOM 1483 NE2 HIS B 615 13.202 14.449 8.921 1.00 0.00 N ATOM 0 H HIS B 615 8.793 17.443 5.356 1.00 0.00 H new ATOM 0 HA HIS B 615 9.522 15.901 6.779 1.00 0.00 H new ATOM 0 HB2 HIS B 615 11.660 17.326 6.505 1.00 0.00 H new ATOM 0 HB3 HIS B 615 11.280 18.005 8.075 1.00 0.00 H new ATOM 0 HD2 HIS B 615 13.962 16.150 7.767 1.00 0.00 H new ATOM 0 HE1 HIS B 615 11.721 13.217 9.855 1.00 0.00 H new ATOM 0 HE2 HIS B 615 14.058 13.944 9.149 1.00 0.00 H new ATOM 1490 N ALA B 616 7.798 16.253 8.590 1.00 0.00 N ATOM 1491 CA ALA B 616 6.964 16.268 9.785 1.00 0.00 C ATOM 1492 C ALA B 616 7.392 15.184 10.767 1.00 0.00 C ATOM 1493 O ALA B 616 8.319 14.421 10.499 1.00 0.00 O ATOM 1494 CB ALA B 616 5.500 16.093 9.408 1.00 0.00 C ATOM 0 H ALA B 616 7.477 15.618 7.859 1.00 0.00 H new ATOM 0 HA ALA B 616 7.090 17.234 10.274 1.00 0.00 H new ATOM 0 HB1 ALA B 616 4.888 16.106 10.310 1.00 0.00 H new ATOM 0 HB2 ALA B 616 5.194 16.906 8.750 1.00 0.00 H new ATOM 0 HB3 ALA B 616 5.368 15.141 8.894 1.00 0.00 H new ATOM 1500 N GLY B 617 6.712 15.122 11.908 1.00 0.00 N ATOM 1501 CA GLY B 617 7.038 14.128 12.914 1.00 0.00 C ATOM 1502 C GLY B 617 5.886 13.866 13.865 1.00 0.00 C ATOM 1503 O GLY B 617 6.038 13.986 15.080 1.00 0.00 O ATOM 0 H GLY B 617 5.941 15.743 12.154 1.00 0.00 H new ATOM 0 HA2 GLY B 617 7.318 13.196 12.422 1.00 0.00 H new ATOM 0 HA3 GLY B 617 7.906 14.462 13.483 1.00 0.00 H new ATOM 1507 N ASP B 618 4.733 13.511 13.311 1.00 0.00 N ATOM 1508 CA ASP B 618 3.551 13.232 14.118 1.00 0.00 C ATOM 1509 C ASP B 618 2.542 12.399 13.335 1.00 0.00 C ATOM 1510 O ASP B 618 2.278 11.246 13.674 1.00 0.00 O ATOM 1511 CB ASP B 618 2.903 14.539 14.579 1.00 0.00 C ATOM 1512 CG ASP B 618 2.822 14.643 16.090 1.00 0.00 C ATOM 1513 OD1 ASP B 618 2.381 13.665 16.730 1.00 0.00 O ATOM 1514 OD2 ASP B 618 3.201 15.703 16.632 1.00 0.00 O ATOM 0 H ASP B 618 4.591 13.409 12.306 1.00 0.00 H new ATOM 0 HA ASP B 618 3.865 12.662 14.992 1.00 0.00 H new ATOM 0 HB2 ASP B 618 3.474 15.382 14.190 1.00 0.00 H new ATOM 0 HB3 ASP B 618 1.900 14.612 14.158 1.00 0.00 H new ATOM 1518 N MET B 619 1.979 12.991 12.287 1.00 0.00 N ATOM 1519 CA MET B 619 0.999 12.303 11.456 1.00 0.00 C ATOM 1520 C MET B 619 1.638 11.129 10.719 1.00 0.00 C ATOM 1521 O MET B 619 0.962 10.164 10.366 1.00 0.00 O ATOM 1522 CB MET B 619 0.380 13.274 10.449 1.00 0.00 C ATOM 1523 CG MET B 619 -1.028 13.717 10.818 1.00 0.00 C ATOM 1524 SD MET B 619 -1.661 15.001 9.723 1.00 0.00 S ATOM 1525 CE MET B 619 -2.641 15.969 10.868 1.00 0.00 C ATOM 0 H MET B 619 2.185 13.946 11.993 1.00 0.00 H new ATOM 0 HA MET B 619 0.215 11.917 12.108 1.00 0.00 H new ATOM 0 HB2 MET B 619 1.018 14.153 10.365 1.00 0.00 H new ATOM 0 HB3 MET B 619 0.358 12.801 9.467 1.00 0.00 H new ATOM 0 HG2 MET B 619 -1.696 12.856 10.786 1.00 0.00 H new ATOM 0 HG3 MET B 619 -1.032 14.085 11.844 1.00 0.00 H new ATOM 0 HE1 MET B 619 -3.142 16.773 10.329 1.00 0.00 H new ATOM 0 HE2 MET B 619 -3.386 15.329 11.340 1.00 0.00 H new ATOM 0 HE3 MET B 619 -1.992 16.395 11.633 1.00 0.00 H new ATOM 1533 N ALA B 620 2.945 11.220 10.492 1.00 0.00 N ATOM 1534 CA ALA B 620 3.675 10.166 9.800 1.00 0.00 C ATOM 1535 C ALA B 620 3.453 8.814 10.470 1.00 0.00 C ATOM 1536 O ALA B 620 3.468 7.774 9.814 1.00 0.00 O ATOM 1537 CB ALA B 620 5.159 10.495 9.751 1.00 0.00 C ATOM 0 H ALA B 620 3.519 12.013 10.778 1.00 0.00 H new ATOM 0 HA ALA B 620 3.294 10.104 8.780 1.00 0.00 H new ATOM 0 HB1 ALA B 620 5.691 9.698 9.231 1.00 0.00 H new ATOM 0 HB2 ALA B 620 5.306 11.436 9.221 1.00 0.00 H new ATOM 0 HB3 ALA B 620 5.545 10.587 10.766 1.00 0.00 H new ATOM 1543 N GLY B 621 3.248 8.836 11.784 1.00 0.00 N ATOM 1544 CA GLY B 621 3.027 7.606 12.522 1.00 0.00 C ATOM 1545 C GLY B 621 1.914 6.766 11.928 1.00 0.00 C ATOM 1546 O GLY B 621 2.089 5.572 11.686 1.00 0.00 O ATOM 0 H GLY B 621 3.231 9.684 12.350 1.00 0.00 H new ATOM 0 HA2 GLY B 621 3.949 7.024 12.537 1.00 0.00 H new ATOM 0 HA3 GLY B 621 2.784 7.846 13.557 1.00 0.00 H new ATOM 1550 N TYR B 622 0.764 7.391 11.696 1.00 0.00 N ATOM 1551 CA TYR B 622 -0.384 6.692 11.132 1.00 0.00 C ATOM 1552 C TYR B 622 -0.024 6.036 9.802 1.00 0.00 C ATOM 1553 O TYR B 622 -0.302 4.857 9.583 1.00 0.00 O ATOM 1554 CB TYR B 622 -1.551 7.662 10.934 1.00 0.00 C ATOM 1555 CG TYR B 622 -2.182 8.121 12.229 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.924 7.246 13.013 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -2.035 9.430 12.669 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -3.502 7.660 14.196 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -2.610 9.854 13.853 1.00 0.00 C ATOM 1560 CZ TYR B 622 -3.342 8.966 14.611 1.00 0.00 C ATOM 1561 OH TYR B 622 -3.916 9.384 15.791 1.00 0.00 O ATOM 0 H TYR B 622 0.603 8.379 11.890 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.682 5.912 11.833 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -1.199 8.533 10.382 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -2.312 7.181 10.319 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -3.051 6.223 12.691 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -1.462 10.128 12.077 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.076 6.966 14.793 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -2.486 10.875 14.182 1.00 0.00 H new ATOM 0 HH TYR B 622 -3.708 10.330 15.939 1.00 0.00 H new ATOM 1570 N ALA B 623 0.598 6.808 8.917 1.00 0.00 N ATOM 1571 CA ALA B 623 1.000 6.303 7.611 1.00 0.00 C ATOM 1572 C ALA B 623 1.928 5.100 7.749 1.00 0.00 C ATOM 1573 O ALA B 623 1.890 4.178 6.935 1.00 0.00 O ATOM 1574 CB ALA B 623 1.676 7.403 6.805 1.00 0.00 C ATOM 0 H ALA B 623 0.834 7.786 9.082 1.00 0.00 H new ATOM 0 HA ALA B 623 0.103 5.979 7.083 1.00 0.00 H new ATOM 0 HB1 ALA B 623 1.971 7.012 5.831 1.00 0.00 H new ATOM 0 HB2 ALA B 623 0.982 8.232 6.668 1.00 0.00 H new ATOM 0 HB3 ALA B 623 2.560 7.754 7.338 1.00 0.00 H new ATOM 1580 N GLY B 624 2.762 5.118 8.784 1.00 0.00 N ATOM 1581 CA GLY B 624 3.689 4.023 9.009 1.00 0.00 C ATOM 1582 C GLY B 624 2.988 2.683 9.119 1.00 0.00 C ATOM 1583 O GLY B 624 3.566 1.644 8.804 1.00 0.00 O ATOM 0 H GLY B 624 2.813 5.871 9.471 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.409 3.987 8.191 1.00 0.00 H new ATOM 0 HA3 GLY B 624 4.253 4.211 9.923 1.00 0.00 H new ATOM 1587 N THR B 625 1.736 2.707 9.567 1.00 0.00 N ATOM 1588 CA THR B 625 0.956 1.485 9.722 1.00 0.00 C ATOM 1589 C THR B 625 0.770 0.780 8.383 1.00 0.00 C ATOM 1590 O THR B 625 0.647 -0.444 8.326 1.00 0.00 O ATOM 1591 CB THR B 625 -0.427 1.776 10.332 1.00 0.00 C ATOM 1592 OG1 THR B 625 -0.278 2.363 11.630 1.00 0.00 O ATOM 1593 CG2 THR B 625 -1.250 0.500 10.439 1.00 0.00 C ATOM 0 H THR B 625 1.241 3.559 9.829 1.00 0.00 H new ATOM 0 HA THR B 625 1.514 0.836 10.398 1.00 0.00 H new ATOM 0 HB THR B 625 -0.949 2.473 9.677 1.00 0.00 H new ATOM 0 HG1 THR B 625 -1.163 2.546 12.010 1.00 0.00 H new ATOM 0 HG21 THR B 625 -2.223 0.730 10.873 1.00 0.00 H new ATOM 0 HG22 THR B 625 -1.387 0.071 9.446 1.00 0.00 H new ATOM 0 HG23 THR B 625 -0.730 -0.216 11.075 1.00 0.00 H new ATOM 1601 N LEU B 626 0.753 1.559 7.306 1.00 0.00 N ATOM 1602 CA LEU B 626 0.583 1.008 5.966 1.00 0.00 C ATOM 1603 C LEU B 626 1.797 0.179 5.561 1.00 0.00 C ATOM 1604 O LEU B 626 1.658 -0.900 4.984 1.00 0.00 O ATOM 1605 CB LEU B 626 0.359 2.134 4.956 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.053 2.719 4.904 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -1.385 3.431 6.206 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -1.195 3.668 3.723 1.00 0.00 C ATOM 0 H LEU B 626 0.855 2.573 7.335 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.291 0.357 5.975 1.00 0.00 H new ATOM 0 HB2 LEU B 626 1.057 2.941 5.181 1.00 0.00 H new ATOM 0 HB3 LEU B 626 0.613 1.761 3.964 1.00 0.00 H new ATOM 0 HG LEU B 626 -1.760 1.900 4.772 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -2.394 3.841 6.150 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -1.326 2.723 7.033 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -0.673 4.240 6.370 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -2.206 4.074 3.702 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -0.478 4.483 3.823 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -1.002 3.127 2.796 1.00 0.00 H new ATOM 1619 N GLN B 627 2.985 0.690 5.867 1.00 0.00 N ATOM 1620 CA GLN B 627 4.223 -0.006 5.535 1.00 0.00 C ATOM 1621 C GLN B 627 4.378 -1.272 6.373 1.00 0.00 C ATOM 1622 O GLN B 627 4.898 -2.281 5.897 1.00 0.00 O ATOM 1623 CB GLN B 627 5.425 0.915 5.756 1.00 0.00 C ATOM 1624 CG GLN B 627 6.630 0.558 4.902 1.00 0.00 C ATOM 1625 CD GLN B 627 7.910 1.197 5.402 1.00 0.00 C ATOM 1626 OE1 GLN B 627 7.885 2.258 6.027 1.00 0.00 O ATOM 1627 NE2 GLN B 627 9.040 0.554 5.129 1.00 0.00 N ATOM 0 H GLN B 627 3.117 1.582 6.344 1.00 0.00 H new ATOM 0 HA GLN B 627 4.179 -0.291 4.484 1.00 0.00 H new ATOM 0 HB2 GLN B 627 5.130 1.942 5.541 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.711 0.879 6.807 1.00 0.00 H new ATOM 0 HG2 GLN B 627 6.751 -0.525 4.886 1.00 0.00 H new ATOM 0 HG3 GLN B 627 6.448 0.873 3.875 1.00 0.00 H new ATOM 0 HE21 GLN B 627 9.015 -0.323 4.608 1.00 0.00 H new ATOM 0 HE22 GLN B 627 9.933 0.937 5.440 1.00 0.00 H new ATOM 1634 N SER B 628 3.924 -1.210 7.619 1.00 0.00 N ATOM 1635 CA SER B 628 4.016 -2.350 8.524 1.00 0.00 C ATOM 1636 C SER B 628 2.962 -3.399 8.185 1.00 0.00 C ATOM 1637 O SER B 628 3.279 -4.573 7.989 1.00 0.00 O ATOM 1638 CB SER B 628 3.847 -1.892 9.975 1.00 0.00 C ATOM 1639 OG SER B 628 3.934 -2.988 10.868 1.00 0.00 O ATOM 0 H SER B 628 3.488 -0.382 8.026 1.00 0.00 H new ATOM 0 HA SER B 628 5.002 -2.798 8.404 1.00 0.00 H new ATOM 0 HB2 SER B 628 4.614 -1.158 10.220 1.00 0.00 H new ATOM 0 HB3 SER B 628 2.883 -1.397 10.094 1.00 0.00 H new ATOM 0 HG SER B 628 3.825 -2.670 11.788 1.00 0.00 H new ATOM 1644 N LEU B 629 1.707 -2.968 8.115 1.00 0.00 N ATOM 1645 CA LEU B 629 0.605 -3.869 7.798 1.00 0.00 C ATOM 1646 C LEU B 629 0.743 -4.422 6.383 1.00 0.00 C ATOM 1647 O LEU B 629 0.553 -5.614 6.150 1.00 0.00 O ATOM 1648 CB LEU B 629 -0.732 -3.143 7.947 1.00 0.00 C ATOM 1649 CG LEU B 629 -1.942 -3.825 7.307 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -2.043 -5.272 7.765 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -3.219 -3.068 7.639 1.00 0.00 C ATOM 0 H LEU B 629 1.428 -2.000 8.274 1.00 0.00 H new ATOM 0 HA LEU B 629 0.638 -4.704 8.498 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.935 -3.011 9.010 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -0.632 -2.147 7.516 1.00 0.00 H new ATOM 0 HG LEU B 629 -1.810 -3.816 6.225 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -2.910 -5.741 7.300 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -1.140 -5.809 7.475 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -2.152 -5.304 8.849 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -4.069 -3.568 7.175 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -3.357 -3.044 8.720 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -3.147 -2.049 7.260 1.00 0.00 H new ATOM 1662 N GLY B 630 1.076 -3.545 5.441 1.00 0.00 N ATOM 1663 CA GLY B 630 1.235 -3.963 4.060 1.00 0.00 C ATOM 1664 C GLY B 630 2.176 -5.144 3.918 1.00 0.00 C ATOM 1665 O GLY B 630 1.906 -6.073 3.156 1.00 0.00 O ATOM 0 H GLY B 630 1.239 -2.552 5.609 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.261 -4.227 3.649 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.614 -3.127 3.472 1.00 0.00 H new ATOM 1669 N ALA B 631 3.284 -5.107 4.650 1.00 0.00 N ATOM 1670 CA ALA B 631 4.268 -6.182 4.602 1.00 0.00 C ATOM 1671 C ALA B 631 3.652 -7.509 5.031 1.00 0.00 C ATOM 1672 O ALA B 631 3.971 -8.560 4.475 1.00 0.00 O ATOM 1673 CB ALA B 631 5.463 -5.844 5.481 1.00 0.00 C ATOM 0 H ALA B 631 3.523 -4.344 5.284 1.00 0.00 H new ATOM 0 HA ALA B 631 4.607 -6.285 3.571 1.00 0.00 H new ATOM 0 HB1 ALA B 631 6.189 -6.655 5.435 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.926 -4.923 5.127 1.00 0.00 H new ATOM 0 HB3 ALA B 631 5.131 -5.712 6.511 1.00 0.00 H new ATOM 1679 N GLU B 632 2.769 -7.453 6.023 1.00 0.00 N ATOM 1680 CA GLU B 632 2.110 -8.653 6.527 1.00 0.00 C ATOM 1681 C GLU B 632 1.384 -9.388 5.403 1.00 0.00 C ATOM 1682 O GLU B 632 1.367 -10.618 5.362 1.00 0.00 O ATOM 1683 CB GLU B 632 1.121 -8.290 7.636 1.00 0.00 C ATOM 1684 CG GLU B 632 1.766 -7.597 8.824 1.00 0.00 C ATOM 1685 CD GLU B 632 1.724 -8.439 10.084 1.00 0.00 C ATOM 1686 OE1 GLU B 632 0.690 -8.407 10.783 1.00 0.00 O ATOM 1687 OE2 GLU B 632 2.725 -9.128 10.373 1.00 0.00 O ATOM 0 H GLU B 632 2.493 -6.591 6.493 1.00 0.00 H new ATOM 0 HA GLU B 632 2.875 -9.313 6.934 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.348 -7.642 7.224 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.625 -9.198 7.981 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.803 -7.361 8.583 1.00 0.00 H new ATOM 0 HG3 GLU B 632 1.258 -6.650 9.007 1.00 0.00 H new ATOM 1692 N ILE B 633 0.786 -8.624 4.495 1.00 0.00 N ATOM 1693 CA ILE B 633 0.060 -9.202 3.371 1.00 0.00 C ATOM 1694 C ILE B 633 1.018 -9.784 2.337 1.00 0.00 C ATOM 1695 O ILE B 633 0.711 -10.779 1.683 1.00 0.00 O ATOM 1696 CB ILE B 633 -0.842 -8.158 2.687 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -1.819 -7.555 3.699 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.597 -8.788 1.526 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.514 -6.308 3.200 1.00 0.00 C ATOM 0 H ILE B 633 0.790 -7.604 4.516 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.563 -10.000 3.775 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.213 -7.359 2.295 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.570 -8.302 3.955 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.279 -7.318 4.616 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.230 -8.037 1.053 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.886 -9.174 0.796 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.217 -9.605 1.896 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.191 -5.936 3.969 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -1.771 -5.544 2.971 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.082 -6.543 2.300 1.00 0.00 H new ATOM 1710 N ALA B 634 2.181 -9.155 2.197 1.00 0.00 N ATOM 1711 CA ALA B 634 3.186 -9.613 1.246 1.00 0.00 C ATOM 1712 C ALA B 634 3.777 -10.952 1.673 1.00 0.00 C ATOM 1713 O ALA B 634 4.042 -11.819 0.840 1.00 0.00 O ATOM 1714 CB ALA B 634 4.286 -8.572 1.099 1.00 0.00 C ATOM 0 H ALA B 634 2.450 -8.328 2.730 1.00 0.00 H new ATOM 0 HA ALA B 634 2.700 -9.752 0.280 1.00 0.00 H new ATOM 0 HB1 ALA B 634 5.030 -8.927 0.386 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.856 -7.637 0.740 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.761 -8.405 2.066 1.00 0.00 H new ATOM 1720 N VAL B 635 3.983 -11.115 2.977 1.00 0.00 N ATOM 1721 CA VAL B 635 4.542 -12.349 3.514 1.00 0.00 C ATOM 1722 C VAL B 635 3.490 -13.452 3.566 1.00 0.00 C ATOM 1723 O VAL B 635 3.808 -14.632 3.425 1.00 0.00 O ATOM 1724 CB VAL B 635 5.117 -12.136 4.927 1.00 0.00 C ATOM 1725 CG1 VAL B 635 4.039 -11.628 5.872 1.00 0.00 C ATOM 1726 CG2 VAL B 635 5.733 -13.425 5.451 1.00 0.00 C ATOM 0 H VAL B 635 3.771 -10.407 3.680 1.00 0.00 H new ATOM 0 HA VAL B 635 5.347 -12.650 2.844 1.00 0.00 H new ATOM 0 HB VAL B 635 5.902 -11.381 4.871 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.464 -11.484 6.865 1.00 0.00 H new ATOM 0 HG12 VAL B 635 3.649 -10.679 5.503 1.00 0.00 H new ATOM 0 HG13 VAL B 635 3.230 -12.356 5.926 1.00 0.00 H new ATOM 0 HG21 VAL B 635 6.134 -13.256 6.450 1.00 0.00 H new ATOM 0 HG22 VAL B 635 4.970 -14.202 5.493 1.00 0.00 H new ATOM 0 HG23 VAL B 635 6.537 -13.741 4.786 1.00 0.00 H new ATOM 1736 N GLU B 636 2.238 -13.057 3.770 1.00 0.00 N ATOM 1737 CA GLU B 636 1.139 -14.014 3.841 1.00 0.00 C ATOM 1738 C GLU B 636 1.024 -14.809 2.544 1.00 0.00 C ATOM 1739 O GLU B 636 1.005 -16.040 2.559 1.00 0.00 O ATOM 1740 CB GLU B 636 -0.179 -13.290 4.128 1.00 0.00 C ATOM 1741 CG GLU B 636 -1.016 -13.954 5.208 1.00 0.00 C ATOM 1742 CD GLU B 636 -1.344 -15.399 4.888 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -2.105 -15.636 3.926 1.00 0.00 O ATOM 1744 OE2 GLU B 636 -0.839 -16.294 5.597 1.00 0.00 O ATOM 0 H GLU B 636 1.959 -12.083 3.889 1.00 0.00 H new ATOM 0 HA GLU B 636 1.348 -14.709 4.654 1.00 0.00 H new ATOM 0 HB2 GLU B 636 0.037 -12.264 4.427 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.763 -13.238 3.209 1.00 0.00 H new ATOM 0 HG2 GLU B 636 -0.480 -13.909 6.156 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -1.943 -13.396 5.338 1.00 0.00 H new ATOM 1749 N GLN B 637 0.949 -14.096 1.426 1.00 0.00 N ATOM 1750 CA GLN B 637 0.835 -14.735 0.119 1.00 0.00 C ATOM 1751 C GLN B 637 2.097 -15.525 -0.212 1.00 0.00 C ATOM 1752 O GLN B 637 2.045 -16.524 -0.928 1.00 0.00 O ATOM 1753 CB GLN B 637 0.576 -13.686 -0.964 1.00 0.00 C ATOM 1754 CG GLN B 637 1.802 -12.859 -1.315 1.00 0.00 C ATOM 1755 CD GLN B 637 2.529 -13.383 -2.538 1.00 0.00 C ATOM 1756 OE1 GLN B 637 1.906 -13.755 -3.533 1.00 0.00 O ATOM 1757 NE2 GLN B 637 3.854 -13.416 -2.470 1.00 0.00 N ATOM 0 H GLN B 637 0.965 -13.077 1.398 1.00 0.00 H new ATOM 0 HA GLN B 637 -0.006 -15.427 0.152 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.215 -14.186 -1.863 1.00 0.00 H new ATOM 0 HB3 GLN B 637 -0.218 -13.019 -0.629 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.501 -11.826 -1.491 1.00 0.00 H new ATOM 0 HG3 GLN B 637 2.486 -12.851 -0.466 1.00 0.00 H new ATOM 0 HE21 GLN B 637 4.329 -13.098 -1.626 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.397 -13.760 -3.262 1.00 0.00 H new ATOM 1764 N ALA B 638 3.230 -15.069 0.314 1.00 0.00 N ATOM 1765 CA ALA B 638 4.504 -15.734 0.074 1.00 0.00 C ATOM 1766 C ALA B 638 4.464 -17.184 0.546 1.00 0.00 C ATOM 1767 O ALA B 638 5.217 -18.026 0.058 1.00 0.00 O ATOM 1768 CB ALA B 638 5.630 -14.983 0.769 1.00 0.00 C ATOM 0 H ALA B 638 3.291 -14.242 0.908 1.00 0.00 H new ATOM 0 HA ALA B 638 4.689 -15.733 -1.000 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.576 -15.491 0.581 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.681 -13.965 0.382 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.440 -14.954 1.842 1.00 0.00 H new ATOM 1774 N ALA B 639 3.580 -17.468 1.497 1.00 0.00 N ATOM 1775 CA ALA B 639 3.441 -18.816 2.033 1.00 0.00 C ATOM 1776 C ALA B 639 2.571 -19.681 1.126 1.00 0.00 C ATOM 1777 O ALA B 639 2.721 -20.902 1.085 1.00 0.00 O ATOM 1778 CB ALA B 639 2.859 -18.768 3.437 1.00 0.00 C ATOM 0 H ALA B 639 2.949 -16.782 1.912 1.00 0.00 H new ATOM 0 HA ALA B 639 4.433 -19.266 2.078 1.00 0.00 H new ATOM 0 HB1 ALA B 639 2.761 -19.782 3.825 1.00 0.00 H new ATOM 0 HB2 ALA B 639 3.521 -18.194 4.086 1.00 0.00 H new ATOM 0 HB3 ALA B 639 1.878 -18.294 3.408 1.00 0.00 H new ATOM 1784 N LEU B 640 1.660 -19.039 0.402 1.00 0.00 N ATOM 1785 CA LEU B 640 0.765 -19.749 -0.504 1.00 0.00 C ATOM 1786 C LEU B 640 1.261 -19.659 -1.943 1.00 0.00 C ATOM 1787 O LEU B 640 0.478 -19.756 -2.887 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.651 -19.178 -0.405 1.00 0.00 C ATOM 1789 CG LEU B 640 -1.147 -18.856 1.005 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -2.403 -17.999 0.946 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -1.409 -20.136 1.785 1.00 0.00 C ATOM 0 H LEU B 640 1.522 -18.029 0.425 1.00 0.00 H new ATOM 0 HA LEU B 640 0.749 -20.798 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.696 -18.267 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -1.341 -19.890 -0.858 1.00 0.00 H new ATOM 0 HG LEU B 640 -0.370 -18.292 1.522 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.742 -17.780 1.959 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -2.183 -17.066 0.427 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -3.185 -18.536 0.410 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -1.761 -19.887 2.786 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -2.167 -20.727 1.270 1.00 0.00 H new ATOM 0 HD23 LEU B 640 -0.487 -20.713 1.858 1.00 0.00 H new ATOM 1802 N GLN B 641 2.568 -19.474 -2.102 1.00 0.00 N ATOM 1803 CA GLN B 641 3.170 -19.372 -3.426 1.00 0.00 C ATOM 1804 C GLN B 641 2.787 -20.569 -4.291 1.00 0.00 C ATOM 1805 O GLN B 641 2.294 -20.408 -5.407 1.00 0.00 O ATOM 1806 CB GLN B 641 4.692 -19.277 -3.312 1.00 0.00 C ATOM 1807 CG GLN B 641 5.185 -17.907 -2.872 1.00 0.00 C ATOM 1808 CD GLN B 641 5.185 -16.896 -4.002 1.00 0.00 C ATOM 1809 OE1 GLN B 641 6.094 -16.876 -4.831 1.00 0.00 O ATOM 1810 NE2 GLN B 641 4.162 -16.050 -4.040 1.00 0.00 N ATOM 0 H GLN B 641 3.230 -19.392 -1.330 1.00 0.00 H new ATOM 0 HA GLN B 641 2.791 -18.467 -3.901 1.00 0.00 H new ATOM 0 HB2 GLN B 641 5.042 -20.026 -2.601 1.00 0.00 H new ATOM 0 HB3 GLN B 641 5.136 -19.521 -4.277 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.554 -17.541 -2.062 1.00 0.00 H new ATOM 0 HG3 GLN B 641 6.195 -18.000 -2.472 1.00 0.00 H new ATOM 0 HE21 GLN B 641 3.430 -16.103 -3.332 1.00 0.00 H new ATOM 0 HE22 GLN B 641 4.108 -15.348 -4.778 1.00 0.00 H new ATOM 1817 N SER B 642 3.017 -21.769 -3.768 1.00 0.00 N ATOM 1818 CA SER B 642 2.700 -22.993 -4.494 1.00 0.00 C ATOM 1819 C SER B 642 1.221 -23.037 -4.866 1.00 0.00 C ATOM 1820 O SER B 642 0.834 -23.678 -5.841 1.00 0.00 O ATOM 1821 CB SER B 642 3.063 -24.218 -3.654 1.00 0.00 C ATOM 1822 OG SER B 642 4.383 -24.654 -3.929 1.00 0.00 O ATOM 0 H SER B 642 3.422 -21.920 -2.844 1.00 0.00 H new ATOM 0 HA SER B 642 3.288 -23.004 -5.412 1.00 0.00 H new ATOM 0 HB2 SER B 642 2.970 -23.977 -2.595 1.00 0.00 H new ATOM 0 HB3 SER B 642 2.360 -25.025 -3.860 1.00 0.00 H new ATOM 0 HG SER B 642 4.590 -25.437 -3.378 1.00 0.00 H new ATOM 1827 N ALA B 643 0.400 -22.349 -4.080 1.00 0.00 N ATOM 1828 CA ALA B 643 -1.036 -22.307 -4.325 1.00 0.00 C ATOM 1829 C ALA B 643 -1.389 -21.222 -5.338 1.00 0.00 C ATOM 1830 O ALA B 643 -2.420 -21.295 -6.007 1.00 0.00 O ATOM 1831 CB ALA B 643 -1.789 -22.080 -3.023 1.00 0.00 C ATOM 0 H ALA B 643 0.705 -21.813 -3.268 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.335 -23.269 -4.742 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -2.860 -22.051 -3.222 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -1.571 -22.893 -2.330 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.476 -21.133 -2.582 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.526 -20.218 -5.445 1.00 0.00 N ATOM 1838 CA TRP B 644 -0.748 -19.117 -6.376 1.00 0.00 C ATOM 1839 C TRP B 644 -0.938 -19.636 -7.797 1.00 0.00 C ATOM 1840 O TRP B 644 -0.203 -20.512 -8.251 1.00 0.00 O ATOM 1841 CB TRP B 644 0.427 -18.139 -6.331 1.00 0.00 C ATOM 1842 CG TRP B 644 0.222 -16.923 -7.182 1.00 0.00 C ATOM 1843 CD1 TRP B 644 0.413 -16.825 -8.531 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.212 -15.632 -6.742 1.00 0.00 C ATOM 1845 NE1 TRP B 644 0.124 -15.551 -8.955 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.262 -14.800 -7.878 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.566 -15.098 -5.499 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -0.652 -13.465 -7.805 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -0.951 -13.774 -5.429 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -0.992 -12.969 -6.575 1.00 0.00 C ATOM 0 H TRP B 644 0.333 -20.143 -4.900 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.657 -18.597 -6.074 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.592 -17.828 -5.299 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.331 -18.653 -6.657 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.743 -17.631 -9.170 1.00 0.00 H new ATOM 0 HE1 TRP B 644 0.187 -15.218 -9.917 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.539 -15.710 -4.610 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -0.685 -12.843 -8.687 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.225 -13.351 -4.474 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.298 -11.937 -6.486 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.931 -19.091 -8.494 1.00 0.00 N ATOM 1861 CA GLN B 645 -2.216 -19.500 -9.864 1.00 0.00 C ATOM 1862 C GLN B 645 -1.847 -18.396 -10.850 1.00 0.00 C ATOM 1863 O GLN B 645 -2.480 -17.342 -10.882 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.696 -19.859 -10.012 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.082 -21.152 -9.311 1.00 0.00 C ATOM 1866 CD GLN B 645 -3.323 -22.353 -9.843 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -3.783 -23.035 -10.759 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -2.155 -22.617 -9.270 1.00 0.00 N ATOM 0 H GLN B 645 -2.551 -18.366 -8.132 1.00 0.00 H new ATOM 0 HA GLN B 645 -1.611 -20.379 -10.088 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -4.300 -19.045 -9.613 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -3.936 -19.944 -11.072 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -3.893 -21.052 -8.242 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.152 -21.321 -9.431 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -1.813 -22.025 -8.514 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -1.600 -23.412 -9.586 1.00 0.00 H new ATOM 1875 N GLY B 646 -0.819 -18.648 -11.654 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.383 -17.666 -12.630 1.00 0.00 C ATOM 1877 C GLY B 646 -1.198 -17.716 -13.906 1.00 0.00 C ATOM 1878 O GLY B 646 -0.903 -17.008 -14.868 1.00 0.00 O ATOM 0 H GLY B 646 -0.280 -19.514 -11.647 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -0.455 -16.669 -12.195 1.00 0.00 H new ATOM 0 HA3 GLY B 646 0.667 -17.835 -12.867 1.00 0.00 H new ATOM 1882 N ASP B 647 -2.227 -18.557 -13.917 1.00 0.00 N ATOM 1883 CA ASP B 647 -3.088 -18.698 -15.085 1.00 0.00 C ATOM 1884 C ASP B 647 -4.375 -17.896 -14.912 1.00 0.00 C ATOM 1885 O ASP B 647 -5.369 -18.140 -15.596 1.00 0.00 O ATOM 1886 CB ASP B 647 -3.421 -20.171 -15.325 1.00 0.00 C ATOM 1887 CG ASP B 647 -2.782 -20.708 -16.591 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -2.715 -19.959 -17.586 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -2.348 -21.881 -16.586 1.00 0.00 O ATOM 0 H ASP B 647 -2.485 -19.152 -13.129 1.00 0.00 H new ATOM 0 HA ASP B 647 -2.551 -18.309 -15.950 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -3.084 -20.761 -14.473 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -4.503 -20.291 -15.388 1.00 0.00 H new ATOM 1893 N THR B 648 -4.349 -16.936 -13.991 1.00 0.00 N ATOM 1894 CA THR B 648 -5.512 -16.099 -13.726 1.00 0.00 C ATOM 1895 C THR B 648 -5.194 -14.627 -13.959 1.00 0.00 C ATOM 1896 O THR B 648 -6.064 -13.848 -14.346 1.00 0.00 O ATOM 1897 CB THR B 648 -6.019 -16.283 -12.282 1.00 0.00 C ATOM 1898 OG1 THR B 648 -4.948 -16.723 -11.440 1.00 0.00 O ATOM 1899 CG2 THR B 648 -7.157 -17.290 -12.232 1.00 0.00 C ATOM 0 H THR B 648 -3.534 -16.720 -13.417 1.00 0.00 H new ATOM 0 HA THR B 648 -6.293 -16.412 -14.419 1.00 0.00 H new ATOM 0 HB THR B 648 -6.390 -15.322 -11.925 1.00 0.00 H new ATOM 0 HG1 THR B 648 -4.211 -16.079 -11.484 1.00 0.00 H new ATOM 0 HG21 THR B 648 -7.498 -17.403 -11.203 1.00 0.00 H new ATOM 0 HG22 THR B 648 -7.982 -16.938 -12.851 1.00 0.00 H new ATOM 0 HG23 THR B 648 -6.808 -18.252 -12.606 1.00 0.00 H new ATOM 1907 N GLY B 649 -3.942 -14.251 -13.719 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.531 -12.872 -13.908 1.00 0.00 C ATOM 1909 C GLY B 649 -2.122 -12.614 -13.415 1.00 0.00 C ATOM 1910 O GLY B 649 -1.166 -13.220 -13.901 1.00 0.00 O ATOM 0 H GLY B 649 -3.204 -14.877 -13.397 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -3.594 -12.619 -14.966 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.223 -12.215 -13.381 1.00 0.00 H new ATOM 1914 N ILE B 650 -1.991 -11.711 -12.449 1.00 0.00 N ATOM 1915 CA ILE B 650 -0.688 -11.373 -11.891 1.00 0.00 C ATOM 1916 C ILE B 650 0.046 -12.622 -11.414 1.00 0.00 C ATOM 1917 O ILE B 650 -0.565 -13.551 -10.883 1.00 0.00 O ATOM 1918 CB ILE B 650 -0.817 -10.386 -10.716 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -1.509 -9.101 -11.174 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.553 -10.077 -10.131 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -1.674 -8.078 -10.072 1.00 0.00 C ATOM 0 H ILE B 650 -2.772 -11.200 -12.037 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.116 -10.901 -12.689 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.427 -10.847 -9.939 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -0.934 -8.658 -11.987 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.491 -9.350 -11.577 1.00 0.00 H new ATOM 0 HG21 ILE B 650 0.445 -9.378 -9.302 1.00 0.00 H new ATOM 0 HG22 ILE B 650 1.012 -10.998 -9.772 1.00 0.00 H new ATOM 0 HG23 ILE B 650 1.185 -9.633 -10.900 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.172 -7.193 -10.469 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.275 -8.503 -9.268 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -0.694 -7.800 -9.684 1.00 0.00 H new ATOM 1932 N THR B 651 1.361 -12.638 -11.603 1.00 0.00 N ATOM 1933 CA THR B 651 2.180 -13.771 -11.193 1.00 0.00 C ATOM 1934 C THR B 651 2.795 -13.535 -9.818 1.00 0.00 C ATOM 1935 O THR B 651 2.736 -12.429 -9.282 1.00 0.00 O ATOM 1936 CB THR B 651 3.306 -14.049 -12.206 1.00 0.00 C ATOM 1937 OG1 THR B 651 3.012 -13.408 -13.453 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.478 -15.544 -12.427 1.00 0.00 C ATOM 0 H THR B 651 1.883 -11.877 -12.038 1.00 0.00 H new ATOM 0 HA THR B 651 1.520 -14.638 -11.150 1.00 0.00 H new ATOM 0 HB THR B 651 4.236 -13.648 -11.802 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.733 -13.588 -14.091 1.00 0.00 H new ATOM 0 HG21 THR B 651 4.279 -15.716 -13.146 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.730 -16.025 -11.482 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.549 -15.964 -12.812 1.00 0.00 H new ATOM 1946 N TYR B 652 3.388 -14.581 -9.253 1.00 0.00 N ATOM 1947 CA TYR B 652 4.015 -14.487 -7.939 1.00 0.00 C ATOM 1948 C TYR B 652 5.174 -13.495 -7.958 1.00 0.00 C ATOM 1949 O TYR B 652 5.363 -12.728 -7.015 1.00 0.00 O ATOM 1950 CB TYR B 652 4.511 -15.861 -7.488 1.00 0.00 C ATOM 1951 CG TYR B 652 5.566 -16.451 -8.397 1.00 0.00 C ATOM 1952 CD1 TYR B 652 5.212 -17.203 -9.510 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.919 -16.257 -8.141 1.00 0.00 C ATOM 1954 CE1 TYR B 652 6.173 -17.745 -10.342 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.886 -16.794 -8.968 1.00 0.00 C ATOM 1956 CZ TYR B 652 7.508 -17.537 -10.067 1.00 0.00 C ATOM 1957 OH TYR B 652 8.468 -18.074 -10.894 1.00 0.00 O ATOM 0 H TYR B 652 3.448 -15.504 -9.684 1.00 0.00 H new ATOM 0 HA TYR B 652 3.267 -14.129 -7.232 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.917 -15.779 -6.480 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.664 -16.545 -7.436 1.00 0.00 H new ATOM 0 HD1 TYR B 652 4.167 -17.367 -9.729 1.00 0.00 H new ATOM 0 HD2 TYR B 652 7.219 -15.677 -7.281 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.880 -18.328 -11.203 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.933 -16.633 -8.755 1.00 0.00 H new ATOM 0 HH TYR B 652 9.358 -17.834 -10.561 1.00 0.00 H new ATOM 1966 N GLN B 653 5.947 -13.519 -9.040 1.00 0.00 N ATOM 1967 CA GLN B 653 7.088 -12.623 -9.181 1.00 0.00 C ATOM 1968 C GLN B 653 6.628 -11.198 -9.474 1.00 0.00 C ATOM 1969 O GLN B 653 7.156 -10.238 -8.915 1.00 0.00 O ATOM 1970 CB GLN B 653 8.012 -13.113 -10.298 1.00 0.00 C ATOM 1971 CG GLN B 653 7.315 -13.266 -11.641 1.00 0.00 C ATOM 1972 CD GLN B 653 7.836 -14.447 -12.436 1.00 0.00 C ATOM 1973 OE1 GLN B 653 7.294 -15.549 -12.359 1.00 0.00 O ATOM 1974 NE2 GLN B 653 8.893 -14.222 -13.207 1.00 0.00 N ATOM 0 H GLN B 653 5.804 -14.148 -9.830 1.00 0.00 H new ATOM 0 HA GLN B 653 7.636 -12.622 -8.239 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.841 -12.413 -10.406 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.441 -14.073 -10.009 1.00 0.00 H new ATOM 0 HG2 GLN B 653 6.244 -13.386 -11.479 1.00 0.00 H new ATOM 0 HG3 GLN B 653 7.449 -12.354 -12.222 1.00 0.00 H new ATOM 0 HE21 GLN B 653 9.311 -13.292 -13.241 1.00 0.00 H new ATOM 0 HE22 GLN B 653 9.287 -14.979 -13.766 1.00 0.00 H new ATOM 1981 N ALA B 654 5.643 -11.070 -10.356 1.00 0.00 N ATOM 1982 CA ALA B 654 5.111 -9.762 -10.723 1.00 0.00 C ATOM 1983 C ALA B 654 4.416 -9.101 -9.537 1.00 0.00 C ATOM 1984 O ALA B 654 4.566 -7.901 -9.309 1.00 0.00 O ATOM 1985 CB ALA B 654 4.149 -9.893 -11.895 1.00 0.00 C ATOM 0 H ALA B 654 5.197 -11.855 -10.830 1.00 0.00 H new ATOM 0 HA ALA B 654 5.946 -9.128 -11.022 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.760 -8.909 -12.158 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.674 -10.316 -12.751 1.00 0.00 H new ATOM 0 HB3 ALA B 654 3.323 -10.547 -11.616 1.00 0.00 H new ATOM 1991 N TRP B 655 3.656 -9.890 -8.787 1.00 0.00 N ATOM 1992 CA TRP B 655 2.937 -9.380 -7.626 1.00 0.00 C ATOM 1993 C TRP B 655 3.908 -8.899 -6.553 1.00 0.00 C ATOM 1994 O TRP B 655 3.793 -7.779 -6.057 1.00 0.00 O ATOM 1995 CB TRP B 655 2.020 -10.461 -7.052 1.00 0.00 C ATOM 1996 CG TRP B 655 1.032 -9.934 -6.056 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.262 -9.573 -6.296 1.00 0.00 C ATOM 1998 CD2 TRP B 655 1.261 -9.707 -4.660 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -0.853 -9.136 -5.135 1.00 0.00 N ATOM 2000 CE2 TRP B 655 0.061 -9.209 -4.116 1.00 0.00 C ATOM 2001 CE3 TRP B 655 2.362 -9.877 -3.817 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.066 -8.880 -2.769 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 2.235 -9.551 -2.480 1.00 0.00 C ATOM 2004 CH2 TRP B 655 1.028 -9.057 -1.967 1.00 0.00 C ATOM 0 H TRP B 655 3.522 -10.886 -8.962 1.00 0.00 H new ATOM 0 HA TRP B 655 2.331 -8.533 -7.949 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.481 -10.941 -7.869 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.629 -11.230 -6.577 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -0.750 -9.623 -7.258 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -1.815 -8.810 -5.046 1.00 0.00 H new ATOM 0 HE3 TRP B 655 3.296 -10.257 -4.203 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -0.995 -8.499 -2.372 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 3.080 -9.679 -1.820 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.960 -8.811 -0.918 1.00 0.00 H new ATOM 2014 N GLN B 656 4.865 -9.752 -6.200 1.00 0.00 N ATOM 2015 CA GLN B 656 5.855 -9.413 -5.186 1.00 0.00 C ATOM 2016 C GLN B 656 6.519 -8.076 -5.499 1.00 0.00 C ATOM 2017 O GLN B 656 6.934 -7.351 -4.595 1.00 0.00 O ATOM 2018 CB GLN B 656 6.915 -10.511 -5.090 1.00 0.00 C ATOM 2019 CG GLN B 656 6.509 -11.672 -4.195 1.00 0.00 C ATOM 2020 CD GLN B 656 6.998 -11.510 -2.770 1.00 0.00 C ATOM 2021 OE1 GLN B 656 6.449 -10.724 -1.999 1.00 0.00 O ATOM 2022 NE2 GLN B 656 8.039 -12.255 -2.413 1.00 0.00 N ATOM 0 H GLN B 656 4.975 -10.683 -6.602 1.00 0.00 H new ATOM 0 HA GLN B 656 5.342 -9.328 -4.228 1.00 0.00 H new ATOM 0 HB2 GLN B 656 7.125 -10.890 -6.090 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.841 -10.078 -4.712 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.423 -11.762 -4.194 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.906 -12.600 -4.608 1.00 0.00 H new ATOM 0 HE21 GLN B 656 8.463 -12.894 -3.085 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.414 -12.188 -1.467 1.00 0.00 H new ATOM 2029 N ALA B 657 6.616 -7.756 -6.785 1.00 0.00 N ATOM 2030 CA ALA B 657 7.227 -6.505 -7.217 1.00 0.00 C ATOM 2031 C ALA B 657 6.184 -5.401 -7.350 1.00 0.00 C ATOM 2032 O ALA B 657 6.504 -4.217 -7.247 1.00 0.00 O ATOM 2033 CB ALA B 657 7.960 -6.704 -8.535 1.00 0.00 C ATOM 0 H ALA B 657 6.279 -8.346 -7.546 1.00 0.00 H new ATOM 0 HA ALA B 657 7.946 -6.199 -6.457 1.00 0.00 H new ATOM 0 HB1 ALA B 657 8.412 -5.762 -8.846 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.739 -7.455 -8.408 1.00 0.00 H new ATOM 0 HB3 ALA B 657 7.255 -7.037 -9.297 1.00 0.00 H new ATOM 2039 N GLN B 658 4.936 -5.796 -7.580 1.00 0.00 N ATOM 2040 CA GLN B 658 3.847 -4.839 -7.728 1.00 0.00 C ATOM 2041 C GLN B 658 3.424 -4.281 -6.373 1.00 0.00 C ATOM 2042 O GLN B 658 3.355 -3.065 -6.186 1.00 0.00 O ATOM 2043 CB GLN B 658 2.650 -5.498 -8.415 1.00 0.00 C ATOM 2044 CG GLN B 658 2.704 -5.424 -9.933 1.00 0.00 C ATOM 2045 CD GLN B 658 1.460 -5.991 -10.589 1.00 0.00 C ATOM 2046 OE1 GLN B 658 0.384 -5.396 -10.524 1.00 0.00 O ATOM 2047 NE2 GLN B 658 1.602 -7.147 -11.227 1.00 0.00 N ATOM 0 H GLN B 658 4.654 -6.772 -7.668 1.00 0.00 H new ATOM 0 HA GLN B 658 4.204 -4.015 -8.346 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.598 -6.544 -8.112 1.00 0.00 H new ATOM 0 HB3 GLN B 658 1.734 -5.020 -8.068 1.00 0.00 H new ATOM 0 HG2 GLN B 658 2.830 -4.385 -10.238 1.00 0.00 H new ATOM 0 HG3 GLN B 658 3.578 -5.969 -10.289 1.00 0.00 H new ATOM 0 HE21 GLN B 658 2.513 -7.605 -11.256 1.00 0.00 H new ATOM 0 HE22 GLN B 658 0.800 -7.577 -11.689 1.00 0.00 H new ATOM 2054 N TRP B 659 3.144 -5.173 -5.431 1.00 0.00 N ATOM 2055 CA TRP B 659 2.728 -4.769 -4.093 1.00 0.00 C ATOM 2056 C TRP B 659 3.753 -3.831 -3.465 1.00 0.00 C ATOM 2057 O TRP B 659 3.412 -2.740 -3.010 1.00 0.00 O ATOM 2058 CB TRP B 659 2.532 -5.999 -3.204 1.00 0.00 C ATOM 2059 CG TRP B 659 2.039 -5.665 -1.829 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.800 -5.407 -0.725 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.673 -5.554 -1.412 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.990 -5.143 0.353 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.682 -5.227 -0.042 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.555 -5.699 -2.062 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.491 -5.043 0.686 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.717 -5.516 -1.338 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.679 -5.189 0.024 1.00 0.00 C ATOM 0 H TRP B 659 3.197 -6.182 -5.569 1.00 0.00 H new ATOM 0 HA TRP B 659 1.781 -4.237 -4.179 1.00 0.00 H new ATOM 0 HB2 TRP B 659 1.823 -6.675 -3.682 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.478 -6.534 -3.123 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.880 -5.410 -0.702 1.00 0.00 H new ATOM 0 HE1 TRP B 659 2.311 -4.920 1.295 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.595 -5.950 -3.112 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.464 -4.794 1.736 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.672 -5.627 -1.830 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.605 -5.050 0.561 1.00 0.00 H new ATOM 2077 N ASN B 660 5.010 -4.263 -3.444 1.00 0.00 N ATOM 2078 CA ASN B 660 6.085 -3.460 -2.872 1.00 0.00 C ATOM 2079 C ASN B 660 6.180 -2.104 -3.566 1.00 0.00 C ATOM 2080 O ASN B 660 6.086 -1.059 -2.923 1.00 0.00 O ATOM 2081 CB ASN B 660 7.419 -4.199 -2.986 1.00 0.00 C ATOM 2082 CG ASN B 660 8.423 -3.744 -1.946 1.00 0.00 C ATOM 2083 OD1 ASN B 660 8.054 -3.363 -0.834 1.00 0.00 O ATOM 2084 ND2 ASN B 660 9.702 -3.781 -2.303 1.00 0.00 N ATOM 0 H ASN B 660 5.309 -5.164 -3.816 1.00 0.00 H new ATOM 0 HA ASN B 660 5.859 -3.294 -1.819 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.248 -5.270 -2.878 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.834 -4.041 -3.981 1.00 0.00 H new ATOM 0 HD21 ASN B 660 10.424 -3.487 -1.645 1.00 0.00 H new ATOM 0 HD22 ASN B 660 9.962 -4.104 -3.235 1.00 0.00 H new ATOM 2090 N GLN B 661 6.369 -2.132 -4.881 1.00 0.00 N ATOM 2091 CA GLN B 661 6.478 -0.906 -5.662 1.00 0.00 C ATOM 2092 C GLN B 661 5.300 0.022 -5.386 1.00 0.00 C ATOM 2093 O GLN B 661 5.481 1.216 -5.151 1.00 0.00 O ATOM 2094 CB GLN B 661 6.547 -1.232 -7.156 1.00 0.00 C ATOM 2095 CG GLN B 661 7.916 -1.710 -7.611 1.00 0.00 C ATOM 2096 CD GLN B 661 9.002 -0.676 -7.384 1.00 0.00 C ATOM 2097 OE1 GLN B 661 8.963 0.416 -7.951 1.00 0.00 O ATOM 2098 NE2 GLN B 661 9.977 -1.016 -6.551 1.00 0.00 N ATOM 0 H GLN B 661 6.450 -2.989 -5.428 1.00 0.00 H new ATOM 0 HA GLN B 661 7.395 -0.397 -5.366 1.00 0.00 H new ATOM 0 HB2 GLN B 661 5.808 -1.999 -7.387 1.00 0.00 H new ATOM 0 HB3 GLN B 661 6.273 -0.344 -7.726 1.00 0.00 H new ATOM 0 HG2 GLN B 661 8.173 -2.624 -7.076 1.00 0.00 H new ATOM 0 HG3 GLN B 661 7.875 -1.961 -8.671 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.969 -1.932 -6.103 1.00 0.00 H new ATOM 0 HE22 GLN B 661 10.735 -0.361 -6.358 1.00 0.00 H new ATOM 2105 N ALA B 662 4.094 -0.535 -5.416 1.00 0.00 N ATOM 2106 CA ALA B 662 2.887 0.242 -5.167 1.00 0.00 C ATOM 2107 C ALA B 662 2.903 0.850 -3.769 1.00 0.00 C ATOM 2108 O ALA B 662 2.748 2.060 -3.605 1.00 0.00 O ATOM 2109 CB ALA B 662 1.652 -0.627 -5.352 1.00 0.00 C ATOM 0 H ALA B 662 3.927 -1.522 -5.610 1.00 0.00 H new ATOM 0 HA ALA B 662 2.856 1.058 -5.889 1.00 0.00 H new ATOM 0 HB1 ALA B 662 0.758 -0.033 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA B 662 1.625 -1.008 -6.373 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.687 -1.463 -4.653 1.00 0.00 H new ATOM 2115 N MET B 663 3.092 0.002 -2.763 1.00 0.00 N ATOM 2116 CA MET B 663 3.130 0.457 -1.378 1.00 0.00 C ATOM 2117 C MET B 663 4.111 1.612 -1.211 1.00 0.00 C ATOM 2118 O MET B 663 3.850 2.557 -0.467 1.00 0.00 O ATOM 2119 CB MET B 663 3.518 -0.696 -0.450 1.00 0.00 C ATOM 2120 CG MET B 663 2.853 -0.629 0.915 1.00 0.00 C ATOM 2121 SD MET B 663 1.450 -1.753 1.059 1.00 0.00 S ATOM 2122 CE MET B 663 0.491 -0.935 2.332 1.00 0.00 C ATOM 0 H MET B 663 3.221 -1.003 -2.881 1.00 0.00 H new ATOM 0 HA MET B 663 2.134 0.809 -1.111 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.254 -1.640 -0.927 1.00 0.00 H new ATOM 0 HB3 MET B 663 4.600 -0.697 -0.318 1.00 0.00 H new ATOM 0 HG2 MET B 663 3.587 -0.869 1.685 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.517 0.391 1.102 1.00 0.00 H new ATOM 0 HE1 MET B 663 0.286 -1.637 3.140 1.00 0.00 H new ATOM 0 HE2 MET B 663 1.053 -0.086 2.722 1.00 0.00 H new ATOM 0 HE3 MET B 663 -0.450 -0.583 1.909 1.00 0.00 H new ATOM 2130 N GLU B 664 5.240 1.529 -1.908 1.00 0.00 N ATOM 2131 CA GLU B 664 6.260 2.568 -1.835 1.00 0.00 C ATOM 2132 C GLU B 664 5.671 3.933 -2.176 1.00 0.00 C ATOM 2133 O GLU B 664 5.767 4.877 -1.391 1.00 0.00 O ATOM 2134 CB GLU B 664 7.416 2.247 -2.784 1.00 0.00 C ATOM 2135 CG GLU B 664 8.596 3.195 -2.650 1.00 0.00 C ATOM 2136 CD GLU B 664 9.806 2.736 -3.440 1.00 0.00 C ATOM 2137 OE1 GLU B 664 10.634 1.990 -2.876 1.00 0.00 O ATOM 2138 OE2 GLU B 664 9.926 3.124 -4.621 1.00 0.00 O ATOM 0 H GLU B 664 5.471 0.754 -2.529 1.00 0.00 H new ATOM 0 HA GLU B 664 6.637 2.600 -0.813 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.756 1.228 -2.597 1.00 0.00 H new ATOM 0 HB3 GLU B 664 7.051 2.278 -3.811 1.00 0.00 H new ATOM 0 HG2 GLU B 664 8.300 4.188 -2.990 1.00 0.00 H new ATOM 0 HG3 GLU B 664 8.867 3.286 -1.598 1.00 0.00 H new ATOM 2143 N ASP B 665 5.064 4.031 -3.353 1.00 0.00 N ATOM 2144 CA ASP B 665 4.458 5.280 -3.800 1.00 0.00 C ATOM 2145 C ASP B 665 3.205 5.597 -2.990 1.00 0.00 C ATOM 2146 O ASP B 665 2.844 6.762 -2.816 1.00 0.00 O ATOM 2147 CB ASP B 665 4.111 5.201 -5.288 1.00 0.00 C ATOM 2148 CG ASP B 665 3.701 6.543 -5.859 1.00 0.00 C ATOM 2149 OD1 ASP B 665 4.595 7.369 -6.135 1.00 0.00 O ATOM 2150 OD2 ASP B 665 2.484 6.767 -6.032 1.00 0.00 O ATOM 0 H ASP B 665 4.978 3.260 -4.016 1.00 0.00 H new ATOM 0 HA ASP B 665 5.181 6.081 -3.646 1.00 0.00 H new ATOM 0 HB2 ASP B 665 4.972 4.823 -5.839 1.00 0.00 H new ATOM 0 HB3 ASP B 665 3.301 4.486 -5.432 1.00 0.00 H new ATOM 2154 N LEU B 666 2.546 4.555 -2.496 1.00 0.00 N ATOM 2155 CA LEU B 666 1.332 4.722 -1.705 1.00 0.00 C ATOM 2156 C LEU B 666 1.631 5.449 -0.397 1.00 0.00 C ATOM 2157 O LEU B 666 0.834 6.263 0.069 1.00 0.00 O ATOM 2158 CB LEU B 666 0.700 3.360 -1.412 1.00 0.00 C ATOM 2159 CG LEU B 666 0.175 3.156 0.010 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -1.027 4.050 0.270 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -0.185 1.695 0.240 1.00 0.00 C ATOM 0 H LEU B 666 2.832 3.585 -2.629 1.00 0.00 H new ATOM 0 HA LEU B 666 0.631 5.324 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU B 666 -0.125 3.207 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU B 666 1.439 2.586 -1.619 1.00 0.00 H new ATOM 0 HG LEU B 666 0.963 3.431 0.711 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -1.386 3.890 1.287 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -0.738 5.094 0.147 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -1.820 3.808 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -0.557 1.568 1.257 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -0.957 1.394 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU B 666 0.700 1.075 0.097 1.00 0.00 H new ATOM 2172 N VAL B 667 2.786 5.149 0.189 1.00 0.00 N ATOM 2173 CA VAL B 667 3.192 5.776 1.442 1.00 0.00 C ATOM 2174 C VAL B 667 3.602 7.228 1.222 1.00 0.00 C ATOM 2175 O VAL B 667 3.165 8.124 1.945 1.00 0.00 O ATOM 2176 CB VAL B 667 4.361 5.016 2.096 1.00 0.00 C ATOM 2177 CG1 VAL B 667 4.713 5.634 3.441 1.00 0.00 C ATOM 2178 CG2 VAL B 667 4.019 3.542 2.251 1.00 0.00 C ATOM 0 H VAL B 667 3.457 4.476 -0.183 1.00 0.00 H new ATOM 0 HA VAL B 667 2.330 5.743 2.108 1.00 0.00 H new ATOM 0 HB VAL B 667 5.232 5.096 1.446 1.00 0.00 H new ATOM 0 HG11 VAL B 667 5.541 5.084 3.889 1.00 0.00 H new ATOM 0 HG12 VAL B 667 5.004 6.675 3.298 1.00 0.00 H new ATOM 0 HG13 VAL B 667 3.847 5.586 4.101 1.00 0.00 H new ATOM 0 HG21 VAL B 667 4.857 3.021 2.715 1.00 0.00 H new ATOM 0 HG22 VAL B 667 3.134 3.438 2.879 1.00 0.00 H new ATOM 0 HG23 VAL B 667 3.821 3.109 1.270 1.00 0.00 H new ATOM 2188 N ARG B 668 4.445 7.453 0.220 1.00 0.00 N ATOM 2189 CA ARG B 668 4.915 8.796 -0.096 1.00 0.00 C ATOM 2190 C ARG B 668 3.743 9.761 -0.249 1.00 0.00 C ATOM 2191 O ARG B 668 3.864 10.952 0.037 1.00 0.00 O ATOM 2192 CB ARG B 668 5.749 8.780 -1.378 1.00 0.00 C ATOM 2193 CG ARG B 668 6.858 7.742 -1.370 1.00 0.00 C ATOM 2194 CD ARG B 668 8.217 8.376 -1.626 1.00 0.00 C ATOM 2195 NE ARG B 668 8.217 9.203 -2.829 1.00 0.00 N ATOM 2196 CZ ARG B 668 8.339 8.712 -4.058 1.00 0.00 C ATOM 2197 NH1 ARG B 668 8.469 7.406 -4.244 1.00 0.00 N ATOM 2198 NH2 ARG B 668 8.330 9.529 -5.104 1.00 0.00 N ATOM 0 H ARG B 668 4.817 6.722 -0.387 1.00 0.00 H new ATOM 0 HA ARG B 668 5.539 9.139 0.730 1.00 0.00 H new ATOM 0 HB2 ARG B 668 5.092 8.590 -2.227 1.00 0.00 H new ATOM 0 HB3 ARG B 668 6.187 9.767 -1.528 1.00 0.00 H new ATOM 0 HG2 ARG B 668 6.870 7.229 -0.409 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.658 6.988 -2.131 1.00 0.00 H new ATOM 0 HD2 ARG B 668 8.500 8.985 -0.768 1.00 0.00 H new ATOM 0 HD3 ARG B 668 8.969 7.593 -1.724 1.00 0.00 H new ATOM 0 HE ARG B 668 8.118 10.212 -2.720 1.00 0.00 H new ATOM 0 HH11 ARG B 668 8.476 6.775 -3.443 1.00 0.00 H new ATOM 0 HH12 ARG B 668 8.562 7.032 -5.188 1.00 0.00 H new ATOM 0 HH21 ARG B 668 8.229 10.534 -4.965 1.00 0.00 H new ATOM 0 HH22 ARG B 668 8.424 9.151 -6.047 1.00 0.00 H new ATOM 2209 N ALA B 669 2.609 9.238 -0.705 1.00 0.00 N ATOM 2210 CA ALA B 669 1.415 10.052 -0.897 1.00 0.00 C ATOM 2211 C ALA B 669 1.014 10.751 0.398 1.00 0.00 C ATOM 2212 O ALA B 669 0.437 11.838 0.374 1.00 0.00 O ATOM 2213 CB ALA B 669 0.269 9.194 -1.413 1.00 0.00 C ATOM 0 H ALA B 669 2.492 8.254 -0.948 1.00 0.00 H new ATOM 0 HA ALA B 669 1.642 10.819 -1.638 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -0.616 9.815 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.551 8.745 -2.366 1.00 0.00 H new ATOM 0 HB3 ALA B 669 0.051 8.407 -0.692 1.00 0.00 H new ATOM 2219 N TYR B 670 1.323 10.121 1.525 1.00 0.00 N ATOM 2220 CA TYR B 670 0.993 10.681 2.830 1.00 0.00 C ATOM 2221 C TYR B 670 2.021 11.725 3.251 1.00 0.00 C ATOM 2222 O TYR B 670 1.683 12.883 3.502 1.00 0.00 O ATOM 2223 CB TYR B 670 0.915 9.572 3.880 1.00 0.00 C ATOM 2224 CG TYR B 670 0.298 10.017 5.187 1.00 0.00 C ATOM 2225 CD1 TYR B 670 1.061 10.656 6.156 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -1.048 9.798 5.453 1.00 0.00 C ATOM 2227 CE1 TYR B 670 0.502 11.064 7.352 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -1.616 10.204 6.644 1.00 0.00 C ATOM 2229 CZ TYR B 670 -0.837 10.836 7.591 1.00 0.00 C ATOM 2230 OH TYR B 670 -1.398 11.241 8.780 1.00 0.00 O ATOM 0 H TYR B 670 1.802 9.221 1.561 1.00 0.00 H new ATOM 0 HA TYR B 670 0.020 11.167 2.753 1.00 0.00 H new ATOM 0 HB2 TYR B 670 0.334 8.742 3.477 1.00 0.00 H new ATOM 0 HB3 TYR B 670 1.919 9.194 4.072 1.00 0.00 H new ATOM 0 HD1 TYR B 670 2.110 10.837 5.971 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -1.661 9.301 4.715 1.00 0.00 H new ATOM 0 HE1 TYR B 670 1.110 11.558 8.095 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -2.665 10.028 6.833 1.00 0.00 H new ATOM 0 HH TYR B 670 -0.818 10.973 9.523 1.00 0.00 H new ATOM 2239 N HIS B 671 3.281 11.308 3.327 1.00 0.00 N ATOM 2240 CA HIS B 671 4.362 12.206 3.716 1.00 0.00 C ATOM 2241 C HIS B 671 4.396 13.438 2.817 1.00 0.00 C ATOM 2242 O HIS B 671 4.700 14.542 3.270 1.00 0.00 O ATOM 2243 CB HIS B 671 5.706 11.479 3.657 1.00 0.00 C ATOM 2244 CG HIS B 671 5.729 10.200 4.436 1.00 0.00 C ATOM 2245 ND1 HIS B 671 4.967 9.993 5.566 1.00 0.00 N ATOM 2246 CD2 HIS B 671 6.429 9.057 4.241 1.00 0.00 C ATOM 2247 CE1 HIS B 671 5.198 8.779 6.034 1.00 0.00 C ATOM 2248 NE2 HIS B 671 6.081 8.190 5.247 1.00 0.00 N ATOM 0 H HIS B 671 3.578 10.354 3.124 1.00 0.00 H new ATOM 0 HA HIS B 671 4.179 12.531 4.740 1.00 0.00 H new ATOM 0 HB2 HIS B 671 5.949 11.265 2.616 1.00 0.00 H new ATOM 0 HB3 HIS B 671 6.485 12.140 4.037 1.00 0.00 H new ATOM 0 HD2 HIS B 671 7.130 8.864 3.443 1.00 0.00 H new ATOM 0 HE1 HIS B 671 4.743 8.342 6.911 1.00 0.00 H new ATOM 0 HE2 HIS B 671 6.445 7.245 5.367 1.00 0.00 H new ATOM 2255 N ALA B 672 4.084 13.241 1.540 1.00 0.00 N ATOM 2256 CA ALA B 672 4.079 14.335 0.577 1.00 0.00 C ATOM 2257 C ALA B 672 2.875 15.247 0.790 1.00 0.00 C ATOM 2258 O ALA B 672 3.013 16.469 0.843 1.00 0.00 O ATOM 2259 CB ALA B 672 4.083 13.789 -0.843 1.00 0.00 C ATOM 0 H ALA B 672 3.831 12.334 1.149 1.00 0.00 H new ATOM 0 HA ALA B 672 4.982 14.925 0.730 1.00 0.00 H new ATOM 0 HB1 ALA B 672 4.079 14.617 -1.551 1.00 0.00 H new ATOM 0 HB2 ALA B 672 4.976 13.184 -0.998 1.00 0.00 H new ATOM 0 HB3 ALA B 672 3.197 13.174 -0.999 1.00 0.00 H new ATOM 2265 N MET B 673 1.697 14.646 0.912 1.00 0.00 N ATOM 2266 CA MET B 673 0.470 15.406 1.120 1.00 0.00 C ATOM 2267 C MET B 673 0.620 16.370 2.292 1.00 0.00 C ATOM 2268 O MET B 673 0.349 17.565 2.164 1.00 0.00 O ATOM 2269 CB MET B 673 -0.706 14.459 1.373 1.00 0.00 C ATOM 2270 CG MET B 673 -1.973 15.169 1.819 1.00 0.00 C ATOM 2271 SD MET B 673 -3.470 14.334 1.259 1.00 0.00 S ATOM 2272 CE MET B 673 -4.063 13.633 2.796 1.00 0.00 C ATOM 0 H MET B 673 1.566 13.635 0.871 1.00 0.00 H new ATOM 0 HA MET B 673 0.274 15.985 0.217 1.00 0.00 H new ATOM 0 HB2 MET B 673 -0.915 13.900 0.461 1.00 0.00 H new ATOM 0 HB3 MET B 673 -0.420 13.732 2.133 1.00 0.00 H new ATOM 0 HG2 MET B 673 -1.984 15.236 2.907 1.00 0.00 H new ATOM 0 HG3 MET B 673 -1.966 16.190 1.437 1.00 0.00 H new ATOM 0 HE1 MET B 673 -5.062 13.222 2.647 1.00 0.00 H new ATOM 0 HE2 MET B 673 -3.389 12.840 3.118 1.00 0.00 H new ATOM 0 HE3 MET B 673 -4.100 14.410 3.560 1.00 0.00 H new ATOM 2280 N SER B 674 1.053 15.846 3.434 1.00 0.00 N ATOM 2281 CA SER B 674 1.236 16.661 4.629 1.00 0.00 C ATOM 2282 C SER B 674 2.395 17.637 4.450 1.00 0.00 C ATOM 2283 O SER B 674 2.439 18.690 5.086 1.00 0.00 O ATOM 2284 CB SER B 674 1.488 15.769 5.847 1.00 0.00 C ATOM 2285 OG SER B 674 2.320 14.671 5.511 1.00 0.00 O ATOM 0 H SER B 674 1.284 14.860 3.557 1.00 0.00 H new ATOM 0 HA SER B 674 0.323 17.235 4.790 1.00 0.00 H new ATOM 0 HB2 SER B 674 1.954 16.354 6.640 1.00 0.00 H new ATOM 0 HB3 SER B 674 0.538 15.404 6.237 1.00 0.00 H new ATOM 0 HG SER B 674 2.950 14.940 4.810 1.00 0.00 H new ATOM 2290 N SER B 675 3.333 17.277 3.580 1.00 0.00 N ATOM 2291 CA SER B 675 4.496 18.118 3.319 1.00 0.00 C ATOM 2292 C SER B 675 4.101 19.360 2.526 1.00 0.00 C ATOM 2293 O SER B 675 4.338 20.489 2.959 1.00 0.00 O ATOM 2294 CB SER B 675 5.560 17.329 2.554 1.00 0.00 C ATOM 2295 OG SER B 675 6.371 16.575 3.439 1.00 0.00 O ATOM 0 H SER B 675 3.311 16.409 3.044 1.00 0.00 H new ATOM 0 HA SER B 675 4.907 18.435 4.277 1.00 0.00 H new ATOM 0 HB2 SER B 675 5.078 16.662 1.839 1.00 0.00 H new ATOM 0 HB3 SER B 675 6.183 18.015 1.980 1.00 0.00 H new ATOM 0 HG SER B 675 7.237 16.397 3.017 1.00 0.00 H new ATOM 2300 N THR B 676 3.496 19.145 1.362 1.00 0.00 N ATOM 2301 CA THR B 676 3.069 20.246 0.508 1.00 0.00 C ATOM 2302 C THR B 676 1.922 21.023 1.145 1.00 0.00 C ATOM 2303 O THR B 676 1.574 22.115 0.695 1.00 0.00 O ATOM 2304 CB THR B 676 2.623 19.741 -0.878 1.00 0.00 C ATOM 2305 OG1 THR B 676 3.153 18.432 -1.116 1.00 0.00 O ATOM 2306 CG2 THR B 676 3.087 20.688 -1.973 1.00 0.00 C ATOM 0 H THR B 676 3.291 18.218 0.989 1.00 0.00 H new ATOM 0 HA THR B 676 3.929 20.905 0.388 1.00 0.00 H new ATOM 0 HB THR B 676 1.534 19.700 -0.893 1.00 0.00 H new ATOM 0 HG1 THR B 676 2.864 18.117 -1.998 1.00 0.00 H new ATOM 0 HG21 THR B 676 2.761 20.311 -2.942 1.00 0.00 H new ATOM 0 HG22 THR B 676 2.659 21.676 -1.805 1.00 0.00 H new ATOM 0 HG23 THR B 676 4.175 20.757 -1.958 1.00 0.00 H new ATOM 2314 N HIS B 677 1.340 20.454 2.196 1.00 0.00 N ATOM 2315 CA HIS B 677 0.233 21.095 2.896 1.00 0.00 C ATOM 2316 C HIS B 677 0.587 22.531 3.272 1.00 0.00 C ATOM 2317 O HIS B 677 -0.214 23.447 3.085 1.00 0.00 O ATOM 2318 CB HIS B 677 -0.132 20.303 4.151 1.00 0.00 C ATOM 2319 CG HIS B 677 -1.219 20.936 4.965 1.00 0.00 C ATOM 2320 ND1 HIS B 677 -1.460 20.609 6.283 1.00 0.00 N ATOM 2321 CD2 HIS B 677 -2.130 21.883 4.641 1.00 0.00 C ATOM 2322 CE1 HIS B 677 -2.472 21.328 6.734 1.00 0.00 C ATOM 2323 NE2 HIS B 677 -2.898 22.109 5.757 1.00 0.00 N ATOM 0 H HIS B 677 1.617 19.551 2.581 1.00 0.00 H new ATOM 0 HA HIS B 677 -0.626 21.114 2.225 1.00 0.00 H new ATOM 0 HB2 HIS B 677 -0.445 19.300 3.860 1.00 0.00 H new ATOM 0 HB3 HIS B 677 0.757 20.192 4.772 1.00 0.00 H new ATOM 0 HD2 HIS B 677 -2.234 22.370 3.683 1.00 0.00 H new ATOM 0 HE1 HIS B 677 -2.882 21.285 7.732 1.00 0.00 H new ATOM 0 HE2 HIS B 677 -3.671 22.771 5.821 1.00 0.00 H new ATOM 2330 N GLU B 678 1.791 22.720 3.804 1.00 0.00 N ATOM 2331 CA GLU B 678 2.249 24.043 4.207 1.00 0.00 C ATOM 2332 C GLU B 678 2.769 24.829 3.006 1.00 0.00 C ATOM 2333 O GLU B 678 2.907 26.051 3.063 1.00 0.00 O ATOM 2334 CB GLU B 678 3.346 23.927 5.267 1.00 0.00 C ATOM 2335 CG GLU B 678 4.668 23.412 4.721 1.00 0.00 C ATOM 2336 CD GLU B 678 5.307 22.374 5.623 1.00 0.00 C ATOM 2337 OE1 GLU B 678 5.182 22.506 6.859 1.00 0.00 O ATOM 2338 OE2 GLU B 678 5.931 21.431 5.094 1.00 0.00 O ATOM 0 H GLU B 678 2.466 21.973 3.966 1.00 0.00 H new ATOM 0 HA GLU B 678 1.400 24.579 4.630 1.00 0.00 H new ATOM 0 HB2 GLU B 678 3.506 24.905 5.721 1.00 0.00 H new ATOM 0 HB3 GLU B 678 3.005 23.260 6.059 1.00 0.00 H new ATOM 0 HG2 GLU B 678 4.505 22.979 3.734 1.00 0.00 H new ATOM 0 HG3 GLU B 678 5.355 24.249 4.593 1.00 0.00 H new ATOM 2343 N ALA B 679 3.054 24.118 1.921 1.00 0.00 N ATOM 2344 CA ALA B 679 3.557 24.747 0.705 1.00 0.00 C ATOM 2345 C ALA B 679 2.597 25.822 0.206 1.00 0.00 C ATOM 2346 O ALA B 679 2.991 26.728 -0.525 1.00 0.00 O ATOM 2347 CB ALA B 679 3.787 23.701 -0.374 1.00 0.00 C ATOM 0 H ALA B 679 2.945 23.106 1.858 1.00 0.00 H new ATOM 0 HA ALA B 679 4.508 25.226 0.940 1.00 0.00 H new ATOM 0 HB1 ALA B 679 4.162 24.185 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA B 679 4.517 22.971 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA B 679 2.847 23.196 -0.598 1.00 0.00 H new ATOM 2353 N ASN B 680 1.334 25.713 0.607 1.00 0.00 N ATOM 2354 CA ASN B 680 0.317 26.676 0.200 1.00 0.00 C ATOM 2355 C ASN B 680 0.722 28.094 0.590 1.00 0.00 C ATOM 2356 O ASN B 680 1.054 28.915 -0.265 1.00 0.00 O ATOM 2357 CB ASN B 680 -1.031 26.324 0.833 1.00 0.00 C ATOM 2358 CG ASN B 680 -2.111 27.332 0.491 1.00 0.00 C ATOM 2359 OD1 ASN B 680 -2.067 28.480 0.933 1.00 0.00 O ATOM 2360 ND2 ASN B 680 -3.088 26.906 -0.301 1.00 0.00 N ATOM 0 H ASN B 680 0.991 24.968 1.213 1.00 0.00 H new ATOM 0 HA ASN B 680 0.223 26.631 -0.885 1.00 0.00 H new ATOM 0 HB2 ASN B 680 -1.341 25.335 0.495 1.00 0.00 H new ATOM 0 HB3 ASN B 680 -0.918 26.270 1.916 1.00 0.00 H new ATOM 0 HD21 ASN B 680 -3.842 27.539 -0.566 1.00 0.00 H new ATOM 0 HD22 ASN B 680 -3.084 25.945 -0.644 1.00 0.00 H new ATOM 2366 N THR B 681 0.692 28.375 1.889 1.00 0.00 N ATOM 2367 CA THR B 681 1.056 29.693 2.395 1.00 0.00 C ATOM 2368 C THR B 681 2.445 30.100 1.918 1.00 0.00 C ATOM 2369 O THR B 681 2.699 31.274 1.650 1.00 0.00 O ATOM 2370 CB THR B 681 1.021 29.733 3.934 1.00 0.00 C ATOM 2371 OG1 THR B 681 0.003 28.852 4.425 1.00 0.00 O ATOM 2372 CG2 THR B 681 0.759 31.146 4.432 1.00 0.00 C ATOM 0 H THR B 681 0.419 27.707 2.610 1.00 0.00 H new ATOM 0 HA THR B 681 0.320 30.396 2.004 1.00 0.00 H new ATOM 0 HB THR B 681 1.992 29.407 4.306 1.00 0.00 H new ATOM 0 HG1 THR B 681 -0.011 28.882 5.404 1.00 0.00 H new ATOM 0 HG21 THR B 681 0.739 31.150 5.522 1.00 0.00 H new ATOM 0 HG22 THR B 681 1.551 31.808 4.082 1.00 0.00 H new ATOM 0 HG23 THR B 681 -0.201 31.494 4.050 1.00 0.00 H new ATOM 2380 N MET B 682 3.340 29.123 1.813 1.00 0.00 N ATOM 2381 CA MET B 682 4.704 29.382 1.367 1.00 0.00 C ATOM 2382 C MET B 682 4.708 30.159 0.054 1.00 0.00 C ATOM 2383 O MET B 682 5.271 31.250 -0.030 1.00 0.00 O ATOM 2384 CB MET B 682 5.466 28.066 1.197 1.00 0.00 C ATOM 2385 CG MET B 682 6.777 28.216 0.442 1.00 0.00 C ATOM 2386 SD MET B 682 7.621 26.642 0.196 1.00 0.00 S ATOM 2387 CE MET B 682 6.396 25.745 -0.754 1.00 0.00 C ATOM 0 H MET B 682 3.145 28.146 2.030 1.00 0.00 H new ATOM 0 HA MET B 682 5.200 29.985 2.127 1.00 0.00 H new ATOM 0 HB2 MET B 682 5.669 27.644 2.181 1.00 0.00 H new ATOM 0 HB3 MET B 682 4.832 27.354 0.669 1.00 0.00 H new ATOM 0 HG2 MET B 682 6.583 28.675 -0.527 1.00 0.00 H new ATOM 0 HG3 MET B 682 7.432 28.893 0.990 1.00 0.00 H new ATOM 0 HE1 MET B 682 6.141 24.819 -0.238 1.00 0.00 H new ATOM 0 HE2 MET B 682 5.501 26.357 -0.864 1.00 0.00 H new ATOM 0 HE3 MET B 682 6.799 25.512 -1.739 1.00 0.00 H new ATOM 2395 N ALA B 683 4.077 29.589 -0.967 1.00 0.00 N ATOM 2396 CA ALA B 683 4.007 30.230 -2.275 1.00 0.00 C ATOM 2397 C ALA B 683 3.181 31.511 -2.215 1.00 0.00 C ATOM 2398 O ALA B 683 3.619 32.564 -2.678 1.00 0.00 O ATOM 2399 CB ALA B 683 3.423 29.271 -3.302 1.00 0.00 C ATOM 0 H ALA B 683 3.607 28.685 -0.914 1.00 0.00 H new ATOM 0 HA ALA B 683 5.020 30.496 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA B 683 3.377 29.763 -4.274 1.00 0.00 H new ATOM 0 HB2 ALA B 683 4.054 28.385 -3.373 1.00 0.00 H new ATOM 0 HB3 ALA B 683 2.419 28.977 -2.996 1.00 0.00 H new ATOM 2405 N MET B 684 1.986 31.412 -1.644 1.00 0.00 N ATOM 2406 CA MET B 684 1.099 32.564 -1.523 1.00 0.00 C ATOM 2407 C MET B 684 0.692 33.083 -2.899 1.00 0.00 C ATOM 2408 O MET B 684 0.800 34.276 -3.179 1.00 0.00 O ATOM 2409 CB MET B 684 1.781 33.679 -0.727 1.00 0.00 C ATOM 2410 CG MET B 684 0.807 34.573 0.024 1.00 0.00 C ATOM 2411 SD MET B 684 1.585 36.072 0.655 1.00 0.00 S ATOM 2412 CE MET B 684 0.555 36.413 2.080 1.00 0.00 C ATOM 0 H MET B 684 1.609 30.547 -1.258 1.00 0.00 H new ATOM 0 HA MET B 684 0.201 32.246 -0.993 1.00 0.00 H new ATOM 0 HB2 MET B 684 2.475 33.233 -0.015 1.00 0.00 H new ATOM 0 HB3 MET B 684 2.372 34.291 -1.408 1.00 0.00 H new ATOM 0 HG2 MET B 684 -0.014 34.846 -0.639 1.00 0.00 H new ATOM 0 HG3 MET B 684 0.375 34.015 0.855 1.00 0.00 H new ATOM 0 HE1 MET B 684 0.911 37.315 2.579 1.00 0.00 H new ATOM 0 HE2 MET B 684 -0.476 36.560 1.757 1.00 0.00 H new ATOM 0 HE3 MET B 684 0.602 35.573 2.773 1.00 0.00 H new ATOM 2420 N MET B 685 0.225 32.179 -3.754 1.00 0.00 N ATOM 2421 CA MET B 685 -0.199 32.546 -5.099 1.00 0.00 C ATOM 2422 C MET B 685 -1.254 33.646 -5.056 1.00 0.00 C ATOM 2423 O MET B 685 -1.371 34.443 -5.986 1.00 0.00 O ATOM 2424 CB MET B 685 -0.751 31.323 -5.835 1.00 0.00 C ATOM 2425 CG MET B 685 -2.002 30.744 -5.197 1.00 0.00 C ATOM 2426 SD MET B 685 -2.473 29.156 -5.908 1.00 0.00 S ATOM 2427 CE MET B 685 -3.819 29.650 -6.982 1.00 0.00 C ATOM 0 H MET B 685 0.131 31.186 -3.538 1.00 0.00 H new ATOM 0 HA MET B 685 0.671 32.923 -5.636 1.00 0.00 H new ATOM 0 HB2 MET B 685 -0.973 31.599 -6.866 1.00 0.00 H new ATOM 0 HB3 MET B 685 0.019 30.552 -5.870 1.00 0.00 H new ATOM 0 HG2 MET B 685 -1.837 30.624 -4.126 1.00 0.00 H new ATOM 0 HG3 MET B 685 -2.825 31.449 -5.315 1.00 0.00 H new ATOM 0 HE1 MET B 685 -4.217 28.774 -7.494 1.00 0.00 H new ATOM 0 HE2 MET B 685 -4.608 30.112 -6.388 1.00 0.00 H new ATOM 0 HE3 MET B 685 -3.453 30.365 -7.719 1.00 0.00 H new ATOM 2435 N ALA B 686 -2.018 33.685 -3.969 1.00 0.00 N ATOM 2436 CA ALA B 686 -3.062 34.689 -3.804 1.00 0.00 C ATOM 2437 C ALA B 686 -2.513 36.094 -4.033 1.00 0.00 C ATOM 2438 O ALA B 686 -3.146 36.917 -4.694 1.00 0.00 O ATOM 2439 CB ALA B 686 -3.683 34.582 -2.420 1.00 0.00 C ATOM 0 H ALA B 686 -1.933 33.033 -3.189 1.00 0.00 H new ATOM 0 HA ALA B 686 -3.833 34.502 -4.551 1.00 0.00 H new ATOM 0 HB1 ALA B 686 -4.461 35.338 -2.311 1.00 0.00 H new ATOM 0 HB2 ALA B 686 -4.119 33.591 -2.293 1.00 0.00 H new ATOM 0 HB3 ALA B 686 -2.915 34.740 -1.663 1.00 0.00 H new ATOM 2445 N ARG B 687 -1.334 36.360 -3.482 1.00 0.00 N ATOM 2446 CA ARG B 687 -0.702 37.666 -3.624 1.00 0.00 C ATOM 2447 C ARG B 687 0.006 37.783 -4.970 1.00 0.00 C ATOM 2448 O ARG B 687 -0.012 38.838 -5.604 1.00 0.00 O ATOM 2449 CB ARG B 687 0.296 37.900 -2.488 1.00 0.00 C ATOM 2450 CG ARG B 687 -0.325 38.527 -1.252 1.00 0.00 C ATOM 2451 CD ARG B 687 -0.730 39.972 -1.502 1.00 0.00 C ATOM 2452 NE ARG B 687 -0.480 40.819 -0.340 1.00 0.00 N ATOM 2453 CZ ARG B 687 -0.777 42.113 -0.297 1.00 0.00 C ATOM 2454 NH1 ARG B 687 -1.330 42.705 -1.345 1.00 0.00 N ATOM 2455 NH2 ARG B 687 -0.519 42.818 0.797 1.00 0.00 N ATOM 0 H ARG B 687 -0.797 35.689 -2.933 1.00 0.00 H new ATOM 0 HA ARG B 687 -1.481 38.426 -3.575 1.00 0.00 H new ATOM 0 HB2 ARG B 687 0.750 36.948 -2.213 1.00 0.00 H new ATOM 0 HB3 ARG B 687 1.098 38.544 -2.848 1.00 0.00 H new ATOM 0 HG2 ARG B 687 -1.199 37.950 -0.951 1.00 0.00 H new ATOM 0 HG3 ARG B 687 0.385 38.485 -0.426 1.00 0.00 H new ATOM 0 HD2 ARG B 687 -0.179 40.360 -2.359 1.00 0.00 H new ATOM 0 HD3 ARG B 687 -1.788 40.013 -1.759 1.00 0.00 H new ATOM 0 HE ARG B 687 -0.054 40.394 0.484 1.00 0.00 H new ATOM 0 HH11 ARG B 687 -1.529 42.167 -2.188 1.00 0.00 H new ATOM 0 HH12 ARG B 687 -1.557 43.699 -1.309 1.00 0.00 H new ATOM 0 HH21 ARG B 687 -0.092 42.366 1.606 1.00 0.00 H new ATOM 0 HH22 ARG B 687 -0.747 43.812 0.829 1.00 0.00 H new ATOM 2466 N ASP B 688 0.632 36.693 -5.401 1.00 0.00 N ATOM 2467 CA ASP B 688 1.346 36.673 -6.672 1.00 0.00 C ATOM 2468 C ASP B 688 0.484 36.057 -7.770 1.00 0.00 C ATOM 2469 O ASP B 688 0.376 34.836 -7.879 1.00 0.00 O ATOM 2470 CB ASP B 688 2.653 35.891 -6.535 1.00 0.00 C ATOM 2471 CG ASP B 688 3.696 36.643 -5.731 1.00 0.00 C ATOM 2472 OD1 ASP B 688 3.511 37.858 -5.510 1.00 0.00 O ATOM 2473 OD2 ASP B 688 4.696 36.016 -5.323 1.00 0.00 O ATOM 0 H ASP B 688 0.659 35.812 -4.888 1.00 0.00 H new ATOM 0 HA ASP B 688 1.574 37.702 -6.948 1.00 0.00 H new ATOM 0 HB2 ASP B 688 2.451 34.933 -6.057 1.00 0.00 H new ATOM 0 HB3 ASP B 688 3.049 35.675 -7.527 1.00 0.00 H new ATOM 2477 N THR B 689 -0.130 36.912 -8.583 1.00 0.00 N ATOM 2478 CA THR B 689 -0.984 36.453 -9.671 1.00 0.00 C ATOM 2479 C THR B 689 -0.368 36.774 -11.027 1.00 0.00 C ATOM 2480 O THR B 689 0.129 35.886 -11.719 1.00 0.00 O ATOM 2481 CB THR B 689 -2.384 37.090 -9.592 1.00 0.00 C ATOM 2482 OG1 THR B 689 -2.280 38.454 -9.164 1.00 0.00 O ATOM 2483 CG2 THR B 689 -3.277 36.319 -8.632 1.00 0.00 C ATOM 0 H THR B 689 -0.051 37.926 -8.508 1.00 0.00 H new ATOM 0 HA THR B 689 -1.078 35.372 -9.565 1.00 0.00 H new ATOM 0 HB THR B 689 -2.830 37.055 -10.586 1.00 0.00 H new ATOM 0 HG1 THR B 689 -3.175 38.852 -9.118 1.00 0.00 H new ATOM 0 HG21 THR B 689 -4.260 36.788 -8.593 1.00 0.00 H new ATOM 0 HG22 THR B 689 -3.379 35.290 -8.977 1.00 0.00 H new ATOM 0 HG23 THR B 689 -2.832 36.326 -7.637 1.00 0.00 H new ATOM 2491 N ALA B 690 -0.402 38.049 -11.400 1.00 0.00 N ATOM 2492 CA ALA B 690 0.157 38.488 -12.673 1.00 0.00 C ATOM 2493 C ALA B 690 1.639 38.144 -12.769 1.00 0.00 C ATOM 2494 O ALA B 690 2.181 37.998 -13.865 1.00 0.00 O ATOM 2495 CB ALA B 690 -0.052 39.984 -12.854 1.00 0.00 C ATOM 0 H ALA B 690 -0.811 38.796 -10.839 1.00 0.00 H new ATOM 0 HA ALA B 690 -0.365 37.960 -13.472 1.00 0.00 H new ATOM 0 HB1 ALA B 690 0.370 40.298 -13.809 1.00 0.00 H new ATOM 0 HB2 ALA B 690 -1.119 40.207 -12.839 1.00 0.00 H new ATOM 0 HB3 ALA B 690 0.443 40.521 -12.045 1.00 0.00 H new ATOM 2501 N GLU B 691 2.289 38.016 -11.617 1.00 0.00 N ATOM 2502 CA GLU B 691 3.709 37.690 -11.574 1.00 0.00 C ATOM 2503 C GLU B 691 3.940 36.215 -11.887 1.00 0.00 C ATOM 2504 O GLU B 691 4.616 35.874 -12.858 1.00 0.00 O ATOM 2505 CB GLU B 691 4.291 38.027 -10.198 1.00 0.00 C ATOM 2506 CG GLU B 691 3.747 39.317 -9.608 1.00 0.00 C ATOM 2507 CD GLU B 691 4.827 40.164 -8.962 1.00 0.00 C ATOM 2508 OE1 GLU B 691 5.128 39.938 -7.772 1.00 0.00 O ATOM 2509 OE2 GLU B 691 5.372 41.053 -9.650 1.00 0.00 O ATOM 0 H GLU B 691 1.855 38.133 -10.701 1.00 0.00 H new ATOM 0 HA GLU B 691 4.215 38.288 -12.332 1.00 0.00 H new ATOM 0 HB2 GLU B 691 4.080 37.206 -9.512 1.00 0.00 H new ATOM 0 HB3 GLU B 691 5.375 38.103 -10.280 1.00 0.00 H new ATOM 0 HG2 GLU B 691 3.259 39.894 -10.394 1.00 0.00 H new ATOM 0 HG3 GLU B 691 2.984 39.080 -8.866 1.00 0.00 H new ATOM 2514 N ALA B 692 3.372 35.345 -11.059 1.00 0.00 N ATOM 2515 CA ALA B 692 3.514 33.905 -11.248 1.00 0.00 C ATOM 2516 C ALA B 692 2.870 33.459 -12.557 1.00 0.00 C ATOM 2517 O ALA B 692 3.241 32.431 -13.123 1.00 0.00 O ATOM 2518 CB ALA B 692 2.903 33.156 -10.074 1.00 0.00 C ATOM 0 H ALA B 692 2.809 35.611 -10.251 1.00 0.00 H new ATOM 0 HA ALA B 692 4.578 33.672 -11.298 1.00 0.00 H new ATOM 0 HB1 ALA B 692 3.016 32.083 -10.228 1.00 0.00 H new ATOM 0 HB2 ALA B 692 3.410 33.446 -9.154 1.00 0.00 H new ATOM 0 HB3 ALA B 692 1.844 33.402 -9.997 1.00 0.00 H new ATOM 2524 N ALA B 693 1.902 34.237 -13.031 1.00 0.00 N ATOM 2525 CA ALA B 693 1.208 33.920 -14.273 1.00 0.00 C ATOM 2526 C ALA B 693 1.965 34.468 -15.479 1.00 0.00 C ATOM 2527 O ALA B 693 1.831 33.958 -16.592 1.00 0.00 O ATOM 2528 CB ALA B 693 -0.210 34.473 -14.241 1.00 0.00 C ATOM 0 H ALA B 693 1.581 35.091 -12.574 1.00 0.00 H new ATOM 0 HA ALA B 693 1.161 32.835 -14.368 1.00 0.00 H new ATOM 0 HB1 ALA B 693 -0.717 34.229 -15.175 1.00 0.00 H new ATOM 0 HB2 ALA B 693 -0.754 34.031 -13.406 1.00 0.00 H new ATOM 0 HB3 ALA B 693 -0.176 35.556 -14.119 1.00 0.00 H new ATOM 2534 N LYS B 694 2.757 35.510 -15.252 1.00 0.00 N ATOM 2535 CA LYS B 694 3.535 36.127 -16.319 1.00 0.00 C ATOM 2536 C LYS B 694 4.553 35.145 -16.888 1.00 0.00 C ATOM 2537 O LYS B 694 5.442 34.675 -16.177 1.00 0.00 O ATOM 2538 CB LYS B 694 4.252 37.376 -15.799 1.00 0.00 C ATOM 2539 CG LYS B 694 3.636 38.677 -16.285 1.00 0.00 C ATOM 2540 CD LYS B 694 4.008 39.842 -15.384 1.00 0.00 C ATOM 2541 CE LYS B 694 2.924 40.908 -15.375 1.00 0.00 C ATOM 2542 NZ LYS B 694 3.413 42.202 -15.925 1.00 0.00 N ATOM 0 H LYS B 694 2.877 35.945 -14.337 1.00 0.00 H new ATOM 0 HA LYS B 694 2.848 36.414 -17.115 1.00 0.00 H new ATOM 0 HB2 LYS B 694 4.242 37.364 -14.709 1.00 0.00 H new ATOM 0 HB3 LYS B 694 5.297 37.340 -16.108 1.00 0.00 H new ATOM 0 HG2 LYS B 694 3.971 38.881 -17.302 1.00 0.00 H new ATOM 0 HG3 LYS B 694 2.551 38.576 -16.321 1.00 0.00 H new ATOM 0 HD2 LYS B 694 4.172 39.480 -14.369 1.00 0.00 H new ATOM 0 HD3 LYS B 694 4.947 40.280 -15.722 1.00 0.00 H new ATOM 0 HE2 LYS B 694 2.072 40.564 -15.961 1.00 0.00 H new ATOM 0 HE3 LYS B 694 2.570 41.058 -14.355 1.00 0.00 H new ATOM 0 HZ1 LYS B 694 2.644 42.902 -15.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 694 4.210 42.544 -15.351 1.00 0.00 H new ATOM 0 HZ3 LYS B 694 3.727 42.065 -16.907 1.00 0.00 H new ATOM 2552 N TRP B 695 4.419 34.840 -18.174 1.00 0.00 N ATOM 2553 CA TRP B 695 5.329 33.914 -18.838 1.00 0.00 C ATOM 2554 C TRP B 695 5.386 34.189 -20.337 1.00 0.00 C ATOM 2555 O TRP B 695 6.430 34.563 -20.870 1.00 0.00 O ATOM 2556 CB TRP B 695 4.894 32.470 -18.588 1.00 0.00 C ATOM 2557 CG TRP B 695 5.467 31.885 -17.333 1.00 0.00 C ATOM 2558 CD1 TRP B 695 4.778 31.285 -16.318 1.00 0.00 C ATOM 2559 CD2 TRP B 695 6.849 31.847 -16.959 1.00 0.00 C ATOM 2560 NE1 TRP B 695 5.647 30.876 -15.335 1.00 0.00 N ATOM 2561 CE2 TRP B 695 6.924 31.208 -15.705 1.00 0.00 C ATOM 2562 CE3 TRP B 695 8.030 32.288 -17.561 1.00 0.00 C ATOM 2563 CZ2 TRP B 695 8.133 31.002 -15.046 1.00 0.00 C ATOM 2564 CZ3 TRP B 695 9.229 32.084 -16.905 1.00 0.00 C ATOM 2565 CH2 TRP B 695 9.273 31.444 -15.659 1.00 0.00 C ATOM 0 H TRP B 695 3.690 35.220 -18.777 1.00 0.00 H new ATOM 0 HA TRP B 695 6.325 34.062 -18.422 1.00 0.00 H new ATOM 0 HB2 TRP B 695 3.806 32.430 -18.535 1.00 0.00 H new ATOM 0 HB3 TRP B 695 5.195 31.856 -19.437 1.00 0.00 H new ATOM 0 HD1 TRP B 695 3.707 31.151 -16.292 1.00 0.00 H new ATOM 0 HE1 TRP B 695 5.384 30.402 -14.471 1.00 0.00 H new ATOM 0 HE3 TRP B 695 8.006 32.780 -18.522 1.00 0.00 H new ATOM 0 HZ2 TRP B 695 8.169 30.511 -14.085 1.00 0.00 H new ATOM 0 HZ3 TRP B 695 10.148 32.423 -17.360 1.00 0.00 H new ATOM 0 HH2 TRP B 695 10.226 31.297 -15.173 1.00 0.00 H new ATOM 2575 N GLY B 696 4.257 33.999 -21.013 1.00 0.00 N ATOM 2576 CA GLY B 696 4.201 34.231 -22.444 1.00 0.00 C ATOM 2577 C GLY B 696 3.279 33.259 -23.153 1.00 0.00 C ATOM 2578 O GLY B 696 2.336 33.667 -23.829 1.00 0.00 O ATOM 0 H GLY B 696 3.380 33.688 -20.595 1.00 0.00 H new ATOM 0 HA2 GLY B 696 3.863 35.250 -22.631 1.00 0.00 H new ATOM 0 HA3 GLY B 696 5.204 34.147 -22.862 1.00 0.00 H new ATOM 2582 N GLY B 697 3.553 31.966 -23.000 1.00 0.00 N ATOM 2583 CA GLY B 697 2.733 30.953 -23.638 1.00 0.00 C ATOM 2584 C GLY B 697 3.465 29.637 -23.807 1.00 0.00 C ATOM 2585 O GLY B 697 2.842 28.578 -23.877 1.00 0.00 O ATOM 0 H GLY B 697 4.328 31.603 -22.446 1.00 0.00 H new ATOM 0 HA2 GLY B 697 1.833 30.791 -23.044 1.00 0.00 H new ATOM 0 HA3 GLY B 697 2.410 31.314 -24.615 1.00 0.00 H new TER 2589 GLY B 697