USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 938 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 87 THR OG1 : rot -104:sc= 0.45 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.43 K(o=-0.98,f=-6.9!) USER MOD Set 2.1: A 35 MET CE :methyl -157:sc= -2.17 (180deg=-4.58!) USER MOD Set 2.2: A 37 THR OG1 : rot -161:sc= -0.612 USER MOD Set 3.1: A 32 THR OG1 : rot -101:sc= 1.51 USER MOD Set 3.2: A 92 TYR OH : rot -99:sc= 0.484 USER MOD Set 4.1: A 29 ASN : amide:sc= -1.79! C(o=-0.9!,f=-3.4!) USER MOD Set 4.2: A 31 THR OG1 : rot 92:sc= 0.895 USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.109 (180deg=-0.591) USER MOD Single : A 6 SER OG : rot -35:sc= 1.01 USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= -0.078 (180deg=-0.323) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -6.86! C(o=-6.9!,f=-11!) USER MOD Single : A 12 LYS NZ :NH3+ -124:sc= -1 (180deg=-1.55) USER MOD Single : A 16 THR OG1 : rot -160:sc= 0.27 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.917 USER MOD Single : A 22 THR OG1 : rot 49:sc= 0.394 USER MOD Single : A 25 HIS : no HE2:sc= -1.53 K(o=-1.5,f=-5.6!) USER MOD Single : A 27 LYS NZ :NH3+ -144:sc= -1.57 (180deg=-3.95!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -0.0479 (180deg=-0.261) USER MOD Single : A 48 SER OG : rot 180:sc= -0.208 USER MOD Single : A 56 CYS SG : rot 180:sc= -1.71! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -110:sc= -1.47! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 108:sc= 0.225 USER MOD Single : A 63 SER OG : rot 150:sc= 0.186 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0193 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= -0.0168 (180deg=-0.159) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -6.73! C(o=-6.7!,f=-13!) USER MOD Single : A 93 THR OG1 : rot -74:sc= -3.46! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN :FLIP amide:sc= -8.35! C(o=-9.3!,f=-8.4!) USER MOD Single : A 106 TYR OH : rot 30:sc= -0.793 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.585 USER MOD Single : A 111 ASN : amide:sc= 0.312 X(o=0.31,f=-0.0064) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -9.069 -15.500 21.270 1.00 0.00 N ATOM 2 CA GLY A -2 -10.521 -15.826 21.266 1.00 0.00 C ATOM 3 C GLY A -2 -11.127 -15.794 22.656 1.00 0.00 C ATOM 4 O GLY A -2 -11.658 -16.798 23.132 1.00 0.00 O ATOM 0 H1 GLY A -2 -8.703 -15.535 20.297 1.00 0.00 H new ATOM 0 H2 GLY A -2 -8.929 -14.546 21.658 1.00 0.00 H new ATOM 0 H3 GLY A -2 -8.560 -16.191 21.857 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -11.048 -15.117 20.627 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -10.667 -16.815 20.832 1.00 0.00 H new ATOM 10 N SER A -1 -11.048 -14.639 23.308 1.00 0.00 N ATOM 11 CA SER A -1 -11.592 -14.478 24.651 1.00 0.00 C ATOM 12 C SER A -1 -12.323 -13.146 24.787 1.00 0.00 C ATOM 13 O SER A -1 -13.071 -12.932 25.741 1.00 0.00 O ATOM 14 CB SER A -1 -10.475 -14.568 25.691 1.00 0.00 C ATOM 15 OG SER A -1 -9.815 -15.821 25.624 1.00 0.00 O ATOM 0 H SER A -1 -10.612 -13.799 22.927 1.00 0.00 H new ATOM 0 HA SER A -1 -12.306 -15.283 24.825 1.00 0.00 H new ATOM 0 HB2 SER A -1 -9.756 -13.765 25.527 1.00 0.00 H new ATOM 0 HB3 SER A -1 -10.890 -14.425 26.689 1.00 0.00 H new ATOM 0 HG SER A -1 -9.104 -15.853 26.298 1.00 0.00 H new ATOM 21 N HIS A 0 -12.099 -12.253 23.827 1.00 0.00 N ATOM 22 CA HIS A 0 -12.736 -10.941 23.839 1.00 0.00 C ATOM 23 C HIS A 0 -13.332 -10.613 22.474 1.00 0.00 C ATOM 24 O HIS A 0 -12.678 -10.784 21.444 1.00 0.00 O ATOM 25 CB HIS A 0 -11.725 -9.864 24.239 1.00 0.00 C ATOM 26 CG HIS A 0 -11.133 -10.073 25.597 1.00 0.00 C ATOM 27 ND1 HIS A 0 -9.880 -10.613 25.798 1.00 0.00 N ATOM 28 CD2 HIS A 0 -11.627 -9.808 26.830 1.00 0.00 C ATOM 29 CE1 HIS A 0 -9.630 -10.672 27.094 1.00 0.00 C ATOM 30 NE2 HIS A 0 -10.673 -10.190 27.742 1.00 0.00 N ATOM 0 H HIS A 0 -11.481 -12.415 23.032 1.00 0.00 H new ATOM 0 HA HIS A 0 -13.543 -10.963 24.572 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -10.922 -9.839 23.502 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -12.214 -8.890 24.211 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -12.591 -9.377 27.055 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -8.725 -11.051 27.546 1.00 0.00 H new ATOM 0 HE2 HIS A 0 -10.758 -10.113 28.756 1.00 0.00 H new ATOM 39 N MET A 1 -14.577 -10.145 22.475 1.00 0.00 N ATOM 40 CA MET A 1 -15.269 -9.791 21.239 1.00 0.00 C ATOM 41 C MET A 1 -15.341 -10.984 20.289 1.00 0.00 C ATOM 42 O MET A 1 -15.049 -12.116 20.676 1.00 0.00 O ATOM 43 CB MET A 1 -14.567 -8.618 20.552 1.00 0.00 C ATOM 44 CG MET A 1 -14.572 -7.339 21.374 1.00 0.00 C ATOM 45 SD MET A 1 -16.238 -6.761 21.753 1.00 0.00 S ATOM 46 CE MET A 1 -16.880 -6.474 20.106 1.00 0.00 C ATOM 0 H MET A 1 -15.129 -10.002 23.321 1.00 0.00 H new ATOM 0 HA MET A 1 -16.286 -9.496 21.497 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.536 -8.898 20.338 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.051 -8.426 19.594 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.030 -7.508 22.305 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.037 -6.561 20.830 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.745 -5.814 20.163 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.109 -6.010 19.491 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.177 -7.424 19.661 1.00 0.00 H new ATOM 56 N ILE A 2 -15.733 -10.721 19.047 1.00 0.00 N ATOM 57 CA ILE A 2 -15.846 -11.771 18.042 1.00 0.00 C ATOM 58 C ILE A 2 -14.496 -12.431 17.782 1.00 0.00 C ATOM 59 O ILE A 2 -14.326 -13.629 18.010 1.00 0.00 O ATOM 60 CB ILE A 2 -16.403 -11.219 16.713 1.00 0.00 C ATOM 61 CG1 ILE A 2 -17.746 -10.519 16.945 1.00 0.00 C ATOM 62 CG2 ILE A 2 -16.550 -12.338 15.692 1.00 0.00 C ATOM 63 CD1 ILE A 2 -18.821 -11.423 17.512 1.00 0.00 C ATOM 0 H ILE A 2 -15.978 -9.789 18.712 1.00 0.00 H new ATOM 0 HA ILE A 2 -16.539 -12.514 18.436 1.00 0.00 H new ATOM 0 HB ILE A 2 -15.698 -10.487 16.319 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -17.595 -9.681 17.625 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -18.096 -10.104 16.000 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -16.944 -11.931 14.761 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -15.576 -12.792 15.507 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -17.235 -13.094 16.076 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -19.741 -10.854 17.648 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -19.003 -12.248 16.823 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -18.494 -11.818 18.474 1.00 0.00 H new ATOM 75 N ALA A 3 -13.537 -11.642 17.304 1.00 0.00 N ATOM 76 CA ALA A 3 -12.201 -12.152 17.011 1.00 0.00 C ATOM 77 C ALA A 3 -11.208 -11.019 16.741 1.00 0.00 C ATOM 78 O ALA A 3 -10.141 -10.973 17.356 1.00 0.00 O ATOM 79 CB ALA A 3 -12.246 -13.118 15.834 1.00 0.00 C ATOM 0 H ALA A 3 -13.660 -10.648 17.112 1.00 0.00 H new ATOM 0 HA ALA A 3 -11.852 -12.689 17.893 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.242 -13.489 15.629 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -12.900 -13.956 16.076 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -12.629 -12.601 14.954 1.00 0.00 H new ATOM 85 N PRO A 4 -11.532 -10.083 15.821 1.00 0.00 N ATOM 86 CA PRO A 4 -10.637 -8.966 15.496 1.00 0.00 C ATOM 87 C PRO A 4 -10.505 -7.975 16.648 1.00 0.00 C ATOM 88 O PRO A 4 -11.378 -7.132 16.858 1.00 0.00 O ATOM 89 CB PRO A 4 -11.310 -8.301 14.293 1.00 0.00 C ATOM 90 CG PRO A 4 -12.749 -8.661 14.418 1.00 0.00 C ATOM 91 CD PRO A 4 -12.780 -10.033 15.031 1.00 0.00 C ATOM 0 HA PRO A 4 -9.621 -9.307 15.295 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -11.169 -7.220 14.308 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.891 -8.664 13.354 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -13.278 -7.942 15.043 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -13.238 -8.657 13.444 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.659 -10.172 15.660 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.805 -10.813 14.270 1.00 0.00 H new ATOM 99 N LEU A 5 -9.410 -8.088 17.394 1.00 0.00 N ATOM 100 CA LEU A 5 -9.156 -7.203 18.526 1.00 0.00 C ATOM 101 C LEU A 5 -7.747 -7.411 19.070 1.00 0.00 C ATOM 102 O LEU A 5 -7.522 -8.266 19.926 1.00 0.00 O ATOM 103 CB LEU A 5 -10.185 -7.443 19.636 1.00 0.00 C ATOM 104 CG LEU A 5 -10.023 -6.554 20.871 1.00 0.00 C ATOM 105 CD1 LEU A 5 -10.281 -5.096 20.520 1.00 0.00 C ATOM 106 CD2 LEU A 5 -10.956 -7.012 21.982 1.00 0.00 C ATOM 0 H LEU A 5 -8.683 -8.785 17.234 1.00 0.00 H new ATOM 0 HA LEU A 5 -9.246 -6.174 18.177 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.183 -7.290 19.225 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.125 -8.486 19.947 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.996 -6.642 21.226 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.161 -4.480 21.411 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.571 -4.774 19.758 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.296 -4.988 20.138 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.828 -6.369 22.853 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.988 -6.954 21.637 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.721 -8.041 22.253 1.00 0.00 H new ATOM 118 N SER A 6 -6.801 -6.625 18.560 1.00 0.00 N ATOM 119 CA SER A 6 -5.408 -6.716 18.989 1.00 0.00 C ATOM 120 C SER A 6 -4.841 -8.110 18.730 1.00 0.00 C ATOM 121 O SER A 6 -3.775 -8.460 19.237 1.00 0.00 O ATOM 122 CB SER A 6 -5.287 -6.370 20.475 1.00 0.00 C ATOM 123 OG SER A 6 -3.934 -6.396 20.898 1.00 0.00 O ATOM 0 H SER A 6 -6.975 -5.916 17.847 1.00 0.00 H new ATOM 0 HA SER A 6 -4.830 -5.999 18.406 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.709 -5.381 20.657 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.869 -7.078 21.065 1.00 0.00 H new ATOM 0 HG SER A 6 -3.456 -7.108 20.423 1.00 0.00 H new ATOM 129 N VAL A 7 -5.555 -8.901 17.934 1.00 0.00 N ATOM 130 CA VAL A 7 -5.119 -10.254 17.609 1.00 0.00 C ATOM 131 C VAL A 7 -5.159 -10.496 16.103 1.00 0.00 C ATOM 132 O VAL A 7 -6.197 -10.865 15.551 1.00 0.00 O ATOM 133 CB VAL A 7 -5.988 -11.314 18.316 1.00 0.00 C ATOM 134 CG1 VAL A 7 -5.512 -12.717 17.970 1.00 0.00 C ATOM 135 CG2 VAL A 7 -5.976 -11.097 19.822 1.00 0.00 C ATOM 0 H VAL A 7 -6.438 -8.628 17.503 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.092 -10.349 17.962 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.014 -11.207 17.963 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.138 -13.450 18.479 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.579 -12.869 16.893 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.477 -12.839 18.290 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.595 -11.854 20.304 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.954 -11.174 20.193 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.371 -10.107 20.050 1.00 0.00 H new ATOM 145 N LYS A 8 -4.021 -10.284 15.448 1.00 0.00 N ATOM 146 CA LYS A 8 -3.902 -10.473 14.011 1.00 0.00 C ATOM 147 C LYS A 8 -2.484 -10.152 13.565 1.00 0.00 C ATOM 148 O LYS A 8 -1.792 -9.355 14.197 1.00 0.00 O ATOM 149 CB LYS A 8 -4.900 -9.589 13.258 1.00 0.00 C ATOM 150 CG LYS A 8 -4.919 -9.842 11.759 1.00 0.00 C ATOM 151 CD LYS A 8 -5.871 -8.899 11.047 1.00 0.00 C ATOM 152 CE LYS A 8 -5.932 -9.187 9.556 1.00 0.00 C ATOM 153 NZ LYS A 8 -6.391 -10.575 9.277 1.00 0.00 N ATOM 0 H LYS A 8 -3.159 -9.977 15.900 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.127 -11.514 13.781 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.899 -9.758 13.660 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.656 -8.542 13.439 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.914 -9.719 11.356 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.215 -10.873 11.567 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.868 -8.994 11.478 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.551 -7.869 11.207 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.607 -8.478 9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.946 -9.035 9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.678 -10.652 8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.616 -11.242 9.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.200 -10.803 9.889 1.00 0.00 H new ATOM 167 N ASP A 9 -2.056 -10.778 12.483 1.00 0.00 N ATOM 168 CA ASP A 9 -0.714 -10.556 11.957 1.00 0.00 C ATOM 169 C ASP A 9 -0.676 -9.294 11.106 1.00 0.00 C ATOM 170 O ASP A 9 -1.279 -9.237 10.034 1.00 0.00 O ATOM 171 CB ASP A 9 -0.257 -11.755 11.128 1.00 0.00 C ATOM 172 CG ASP A 9 1.204 -11.662 10.734 1.00 0.00 C ATOM 173 OD1 ASP A 9 1.496 -11.081 9.668 1.00 0.00 O ATOM 174 OD2 ASP A 9 2.057 -12.170 11.493 1.00 0.00 O ATOM 0 H ASP A 9 -2.615 -11.444 11.950 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.035 -10.433 12.801 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.419 -12.670 11.697 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.869 -11.826 10.229 1.00 0.00 H new ATOM 179 N ASN A 10 0.035 -8.282 11.590 1.00 0.00 N ATOM 180 CA ASN A 10 0.143 -7.020 10.884 1.00 0.00 C ATOM 181 C ASN A 10 1.586 -6.540 10.793 1.00 0.00 C ATOM 182 O ASN A 10 2.325 -6.914 9.882 1.00 0.00 O ATOM 183 CB ASN A 10 -0.712 -5.961 11.577 1.00 0.00 C ATOM 184 CG ASN A 10 -0.705 -6.068 13.088 1.00 0.00 C ATOM 185 OD1 ASN A 10 -0.579 -7.152 13.654 1.00 0.00 O ATOM 186 ND2 ASN A 10 -0.844 -4.929 13.750 1.00 0.00 N ATOM 0 H ASN A 10 0.546 -8.316 12.472 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.218 -7.179 9.868 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.354 -4.972 11.290 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.739 -6.045 11.220 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.849 -4.929 14.770 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.946 -4.052 13.240 1.00 0.00 H new ATOM 193 N ASP A 11 1.969 -5.706 11.747 1.00 0.00 N ATOM 194 CA ASP A 11 3.305 -5.142 11.801 1.00 0.00 C ATOM 195 C ASP A 11 4.375 -6.222 11.730 1.00 0.00 C ATOM 196 O ASP A 11 4.630 -6.930 12.704 1.00 0.00 O ATOM 197 CB ASP A 11 3.469 -4.314 13.074 1.00 0.00 C ATOM 198 CG ASP A 11 2.732 -4.917 14.254 1.00 0.00 C ATOM 199 OD1 ASP A 11 3.075 -6.048 14.656 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.806 -4.259 14.773 1.00 0.00 O ATOM 0 H ASP A 11 1.360 -5.402 12.506 1.00 0.00 H new ATOM 0 HA ASP A 11 3.433 -4.497 10.932 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.529 -4.230 13.315 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.101 -3.303 12.897 1.00 0.00 H new ATOM 205 N LYS A 12 4.984 -6.344 10.562 1.00 0.00 N ATOM 206 CA LYS A 12 6.044 -7.322 10.341 1.00 0.00 C ATOM 207 C LYS A 12 7.412 -6.720 10.647 1.00 0.00 C ATOM 208 O LYS A 12 8.059 -6.142 9.773 1.00 0.00 O ATOM 209 CB LYS A 12 6.009 -7.835 8.901 1.00 0.00 C ATOM 210 CG LYS A 12 5.168 -9.089 8.720 1.00 0.00 C ATOM 211 CD LYS A 12 6.021 -10.350 8.740 1.00 0.00 C ATOM 212 CE LYS A 12 6.724 -10.540 10.077 1.00 0.00 C ATOM 213 NZ LYS A 12 5.757 -10.640 11.204 1.00 0.00 N ATOM 0 H LYS A 12 4.762 -5.775 9.745 1.00 0.00 H new ATOM 0 HA LYS A 12 5.875 -8.159 11.018 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.618 -7.050 8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.028 -8.041 8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.421 -9.143 9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.627 -9.031 7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.393 -11.216 8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.764 -10.298 7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.334 -11.443 10.041 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.401 -9.704 10.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.979 -9.916 11.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.792 -10.491 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.824 -11.584 11.636 1.00 0.00 H new ATOM 227 N TRP A 13 7.842 -6.859 11.895 1.00 0.00 N ATOM 228 CA TRP A 13 9.123 -6.336 12.338 1.00 0.00 C ATOM 229 C TRP A 13 10.269 -7.184 11.795 1.00 0.00 C ATOM 230 O TRP A 13 10.581 -8.242 12.342 1.00 0.00 O ATOM 231 CB TRP A 13 9.147 -6.298 13.866 1.00 0.00 C ATOM 232 CG TRP A 13 7.824 -5.893 14.453 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.764 -6.712 14.720 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.412 -4.571 14.831 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.715 -5.982 15.224 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.086 -4.665 15.304 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.029 -3.319 14.812 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.370 -3.553 15.750 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.321 -2.218 15.259 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.003 -2.341 15.719 1.00 0.00 C ATOM 0 H TRP A 13 7.313 -7.336 12.625 1.00 0.00 H new ATOM 0 HA TRP A 13 9.253 -5.324 11.953 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.424 -7.281 14.246 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.916 -5.600 14.197 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.752 -7.780 14.558 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.807 -6.359 15.495 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.042 -3.212 14.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.355 -3.646 16.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.792 -1.246 15.253 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.476 -1.460 16.056 1.00 0.00 H new ATOM 251 N VAL A 14 10.893 -6.716 10.710 1.00 0.00 N ATOM 252 CA VAL A 14 11.993 -7.462 10.097 1.00 0.00 C ATOM 253 C VAL A 14 12.910 -6.559 9.288 1.00 0.00 C ATOM 254 O VAL A 14 12.611 -5.391 9.056 1.00 0.00 O ATOM 255 CB VAL A 14 11.448 -8.587 9.192 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.731 -8.004 7.982 1.00 0.00 C ATOM 257 CG2 VAL A 14 12.548 -9.545 8.760 1.00 0.00 C ATOM 0 H VAL A 14 10.660 -5.839 10.245 1.00 0.00 H new ATOM 0 HA VAL A 14 12.575 -7.897 10.909 1.00 0.00 H new ATOM 0 HB VAL A 14 10.729 -9.160 9.777 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.355 -8.814 7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.898 -7.386 8.316 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.427 -7.394 7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.124 -10.323 8.124 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.310 -8.998 8.205 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.999 -10.002 9.641 1.00 0.00 H new ATOM 267 N ASP A 15 14.035 -7.126 8.881 1.00 0.00 N ATOM 268 CA ASP A 15 15.034 -6.417 8.089 1.00 0.00 C ATOM 269 C ASP A 15 14.697 -6.492 6.601 1.00 0.00 C ATOM 270 O ASP A 15 13.634 -6.988 6.228 1.00 0.00 O ATOM 271 CB ASP A 15 16.408 -7.027 8.353 1.00 0.00 C ATOM 272 CG ASP A 15 17.083 -6.433 9.574 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.744 -6.849 10.701 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.953 -5.554 9.401 1.00 0.00 O ATOM 0 H ASP A 15 14.284 -8.093 9.090 1.00 0.00 H new ATOM 0 HA ASP A 15 15.040 -5.366 8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.304 -8.104 8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.043 -6.874 7.481 1.00 0.00 H new ATOM 279 N THR A 16 15.603 -6.003 5.750 1.00 0.00 N ATOM 280 CA THR A 16 15.369 -6.024 4.306 1.00 0.00 C ATOM 281 C THR A 16 16.574 -5.518 3.514 1.00 0.00 C ATOM 282 O THR A 16 17.648 -5.282 4.067 1.00 0.00 O ATOM 283 CB THR A 16 14.145 -5.164 3.934 1.00 0.00 C ATOM 284 OG1 THR A 16 13.608 -5.588 2.675 1.00 0.00 O ATOM 285 CG2 THR A 16 14.514 -3.690 3.857 1.00 0.00 C ATOM 0 H THR A 16 16.493 -5.593 6.032 1.00 0.00 H new ATOM 0 HA THR A 16 15.191 -7.067 4.043 1.00 0.00 H new ATOM 0 HB THR A 16 13.395 -5.294 4.714 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.058 -4.871 2.296 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.631 -3.107 3.593 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.892 -3.358 4.824 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.284 -3.547 3.099 1.00 0.00 H new ATOM 293 N HIS A 17 16.368 -5.356 2.208 1.00 0.00 N ATOM 294 CA HIS A 17 17.399 -4.861 1.305 1.00 0.00 C ATOM 295 C HIS A 17 16.944 -3.547 0.675 1.00 0.00 C ATOM 296 O HIS A 17 16.052 -2.885 1.201 1.00 0.00 O ATOM 297 CB HIS A 17 17.694 -5.902 0.224 1.00 0.00 C ATOM 298 CG HIS A 17 18.728 -6.907 0.626 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.414 -8.184 1.042 1.00 0.00 N ATOM 300 CD2 HIS A 17 20.079 -6.819 0.673 1.00 0.00 C ATOM 301 CE1 HIS A 17 19.527 -8.837 1.329 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.550 -8.032 1.112 1.00 0.00 N ATOM 0 H HIS A 17 15.481 -5.565 1.749 1.00 0.00 H new ATOM 0 HA HIS A 17 18.315 -4.681 1.868 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.771 -6.424 -0.028 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.028 -5.391 -0.679 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.674 -5.956 0.414 1.00 0.00 H new ATOM 0 HE1 HIS A 17 19.589 -9.856 1.681 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.532 -8.272 1.248 1.00 0.00 H new ATOM 311 N VAL A 18 17.548 -3.166 -0.448 1.00 0.00 N ATOM 312 CA VAL A 18 17.177 -1.922 -1.116 1.00 0.00 C ATOM 313 C VAL A 18 16.267 -2.173 -2.314 1.00 0.00 C ATOM 314 O VAL A 18 16.535 -3.040 -3.146 1.00 0.00 O ATOM 315 CB VAL A 18 18.414 -1.132 -1.583 1.00 0.00 C ATOM 316 CG1 VAL A 18 17.997 0.216 -2.158 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.396 -0.951 -0.437 1.00 0.00 C ATOM 0 H VAL A 18 18.288 -3.694 -0.910 1.00 0.00 H new ATOM 0 HA VAL A 18 16.637 -1.331 -0.376 1.00 0.00 H new ATOM 0 HB VAL A 18 18.912 -1.700 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 18 18.882 0.762 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.334 0.059 -3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.476 0.792 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.263 -0.391 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 18 18.913 -0.405 0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.717 -1.928 -0.075 1.00 0.00 H new ATOM 327 N GLY A 19 15.188 -1.398 -2.387 1.00 0.00 N ATOM 328 CA GLY A 19 14.236 -1.522 -3.476 1.00 0.00 C ATOM 329 C GLY A 19 13.685 -2.924 -3.630 1.00 0.00 C ATOM 330 O GLY A 19 13.149 -3.265 -4.683 1.00 0.00 O ATOM 0 H GLY A 19 14.955 -0.679 -1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.410 -0.830 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.718 -1.224 -4.407 1.00 0.00 H new ATOM 334 N LYS A 20 13.824 -3.743 -2.591 1.00 0.00 N ATOM 335 CA LYS A 20 13.312 -5.103 -2.634 1.00 0.00 C ATOM 336 C LYS A 20 11.796 -5.077 -2.763 1.00 0.00 C ATOM 337 O LYS A 20 11.074 -5.160 -1.770 1.00 0.00 O ATOM 338 CB LYS A 20 13.729 -5.874 -1.382 1.00 0.00 C ATOM 339 CG LYS A 20 14.150 -7.300 -1.663 1.00 0.00 C ATOM 340 CD LYS A 20 15.561 -7.332 -2.202 1.00 0.00 C ATOM 341 CE LYS A 20 16.172 -8.720 -2.106 1.00 0.00 C ATOM 342 NZ LYS A 20 17.558 -8.756 -2.645 1.00 0.00 N ATOM 0 H LYS A 20 14.284 -3.488 -1.717 1.00 0.00 H new ATOM 0 HA LYS A 20 13.733 -5.612 -3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.553 -5.349 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.899 -5.881 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.089 -7.891 -0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.468 -7.753 -2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.560 -7.007 -3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.178 -6.625 -1.648 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.179 -9.042 -1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.551 -9.428 -2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.938 -9.720 -2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.549 -8.474 -3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.157 -8.099 -2.106 1.00 0.00 H new ATOM 356 N THR A 21 11.326 -4.944 -3.999 1.00 0.00 N ATOM 357 CA THR A 21 9.900 -4.880 -4.283 1.00 0.00 C ATOM 358 C THR A 21 9.134 -5.985 -3.568 1.00 0.00 C ATOM 359 O THR A 21 9.126 -7.136 -4.005 1.00 0.00 O ATOM 360 CB THR A 21 9.624 -4.977 -5.793 1.00 0.00 C ATOM 361 OG1 THR A 21 10.539 -4.145 -6.514 1.00 0.00 O ATOM 362 CG2 THR A 21 8.198 -4.555 -6.104 1.00 0.00 C ATOM 0 H THR A 21 11.920 -4.878 -4.826 1.00 0.00 H new ATOM 0 HA THR A 21 9.555 -3.914 -3.915 1.00 0.00 H new ATOM 0 HB THR A 21 9.759 -6.014 -6.100 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.357 -4.214 -7.474 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.022 -4.630 -7.177 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.502 -5.207 -5.576 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.045 -3.525 -5.783 1.00 0.00 H new ATOM 370 N THR A 22 8.495 -5.624 -2.462 1.00 0.00 N ATOM 371 CA THR A 22 7.716 -6.576 -1.686 1.00 0.00 C ATOM 372 C THR A 22 6.241 -6.477 -2.044 1.00 0.00 C ATOM 373 O THR A 22 5.537 -5.569 -1.597 1.00 0.00 O ATOM 374 CB THR A 22 7.899 -6.353 -0.170 1.00 0.00 C ATOM 375 OG1 THR A 22 9.265 -6.582 0.196 1.00 0.00 O ATOM 376 CG2 THR A 22 6.994 -7.275 0.637 1.00 0.00 C ATOM 0 H THR A 22 8.502 -4.677 -2.083 1.00 0.00 H new ATOM 0 HA THR A 22 8.080 -7.573 -1.932 1.00 0.00 H new ATOM 0 HB THR A 22 7.626 -5.322 0.053 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.854 -6.086 -0.410 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.146 -7.094 1.701 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.953 -7.079 0.381 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.235 -8.313 0.408 1.00 0.00 H new ATOM 384 N GLU A 23 5.793 -7.412 -2.873 1.00 0.00 N ATOM 385 CA GLU A 23 4.416 -7.465 -3.314 1.00 0.00 C ATOM 386 C GLU A 23 3.530 -8.095 -2.253 1.00 0.00 C ATOM 387 O GLU A 23 3.868 -9.131 -1.681 1.00 0.00 O ATOM 388 CB GLU A 23 4.333 -8.267 -4.605 1.00 0.00 C ATOM 389 CG GLU A 23 2.941 -8.310 -5.196 1.00 0.00 C ATOM 390 CD GLU A 23 2.918 -8.897 -6.593 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.024 -10.136 -6.718 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.796 -8.119 -7.563 1.00 0.00 O ATOM 0 H GLU A 23 6.380 -8.153 -3.256 1.00 0.00 H new ATOM 0 HA GLU A 23 4.063 -6.448 -3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.017 -7.837 -5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.670 -9.286 -4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.293 -8.900 -4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.531 -7.301 -5.223 1.00 0.00 H new ATOM 399 N ILE A 24 2.393 -7.464 -1.996 1.00 0.00 N ATOM 400 CA ILE A 24 1.463 -7.962 -1.000 1.00 0.00 C ATOM 401 C ILE A 24 0.020 -7.860 -1.468 1.00 0.00 C ATOM 402 O ILE A 24 -0.559 -6.774 -1.493 1.00 0.00 O ATOM 403 CB ILE A 24 1.598 -7.187 0.315 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.061 -7.128 0.750 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.735 -7.827 1.394 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.290 -6.326 2.012 1.00 0.00 C ATOM 0 H ILE A 24 2.095 -6.608 -2.464 1.00 0.00 H new ATOM 0 HA ILE A 24 1.715 -9.011 -0.844 1.00 0.00 H new ATOM 0 HB ILE A 24 1.249 -6.166 0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.426 -8.143 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.653 -6.696 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.840 -7.267 2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.309 -7.816 1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.055 -8.857 1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.352 -6.330 2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.957 -5.300 1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.726 -6.770 2.832 1.00 0.00 H new ATOM 418 N HIS A 25 -0.549 -8.994 -1.850 1.00 0.00 N ATOM 419 CA HIS A 25 -1.935 -9.042 -2.277 1.00 0.00 C ATOM 420 C HIS A 25 -2.829 -9.165 -1.053 1.00 0.00 C ATOM 421 O HIS A 25 -3.042 -10.261 -0.533 1.00 0.00 O ATOM 422 CB HIS A 25 -2.174 -10.224 -3.212 1.00 0.00 C ATOM 423 CG HIS A 25 -1.065 -10.456 -4.191 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.396 -11.656 -4.299 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.516 -9.637 -5.119 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.516 -11.566 -5.250 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.464 -10.350 -5.763 1.00 0.00 N ATOM 0 H HIS A 25 -0.069 -9.894 -1.872 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.170 -8.126 -2.819 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.313 -11.125 -2.615 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -3.101 -10.059 -3.761 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.577 -12.485 -3.733 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.797 -8.613 -5.316 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.190 -12.353 -5.556 1.00 0.00 H new ATOM 436 N LEU A 26 -3.344 -8.036 -0.593 1.00 0.00 N ATOM 437 CA LEU A 26 -4.192 -8.012 0.591 1.00 0.00 C ATOM 438 C LEU A 26 -5.659 -8.048 0.202 1.00 0.00 C ATOM 439 O LEU A 26 -6.047 -7.523 -0.835 1.00 0.00 O ATOM 440 CB LEU A 26 -3.919 -6.754 1.413 1.00 0.00 C ATOM 441 CG LEU A 26 -2.472 -6.568 1.875 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.190 -5.101 2.155 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.192 -7.407 3.115 1.00 0.00 C ATOM 0 H LEU A 26 -3.190 -7.123 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.961 -8.894 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.207 -5.885 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.563 -6.769 2.292 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.811 -6.904 1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.157 -4.985 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.350 -4.520 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.861 -4.744 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.158 -7.261 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.861 -7.102 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.356 -8.460 2.887 1.00 0.00 H new ATOM 455 N LYS A 27 -6.469 -8.663 1.045 1.00 0.00 N ATOM 456 CA LYS A 27 -7.897 -8.748 0.792 1.00 0.00 C ATOM 457 C LYS A 27 -8.661 -7.946 1.831 1.00 0.00 C ATOM 458 O LYS A 27 -8.128 -7.618 2.892 1.00 0.00 O ATOM 459 CB LYS A 27 -8.359 -10.201 0.797 1.00 0.00 C ATOM 460 CG LYS A 27 -7.552 -11.092 -0.134 1.00 0.00 C ATOM 461 CD LYS A 27 -7.851 -12.568 0.091 1.00 0.00 C ATOM 462 CE LYS A 27 -9.183 -12.978 -0.523 1.00 0.00 C ATOM 463 NZ LYS A 27 -10.342 -12.370 0.189 1.00 0.00 N ATOM 0 H LYS A 27 -6.164 -9.110 1.909 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.099 -8.329 -0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.292 -10.593 1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.409 -10.242 0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.773 -10.831 -1.169 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.489 -10.909 0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.052 -13.170 -0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.865 -12.777 1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.205 -12.679 -1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.273 -14.064 -0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.132 -13.046 0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.066 -12.134 1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.639 -11.505 -0.306 1.00 0.00 H new ATOM 477 N GLY A 28 -9.908 -7.633 1.523 1.00 0.00 N ATOM 478 CA GLY A 28 -10.719 -6.852 2.434 1.00 0.00 C ATOM 479 C GLY A 28 -12.083 -6.524 1.862 1.00 0.00 C ATOM 480 O GLY A 28 -13.026 -6.258 2.606 1.00 0.00 O ATOM 0 H GLY A 28 -10.375 -7.905 0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.843 -7.401 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.198 -5.926 2.676 1.00 0.00 H new ATOM 484 N ASN A 29 -12.181 -6.539 0.534 1.00 0.00 N ATOM 485 CA ASN A 29 -13.435 -6.244 -0.155 1.00 0.00 C ATOM 486 C ASN A 29 -13.871 -4.799 0.094 1.00 0.00 C ATOM 487 O ASN A 29 -14.354 -4.471 1.177 1.00 0.00 O ATOM 488 CB ASN A 29 -14.536 -7.205 0.304 1.00 0.00 C ATOM 489 CG ASN A 29 -15.864 -6.930 -0.372 1.00 0.00 C ATOM 490 OD1 ASN A 29 -15.910 -6.505 -1.527 1.00 0.00 O ATOM 491 ND2 ASN A 29 -16.955 -7.166 0.348 1.00 0.00 N ATOM 0 H ASN A 29 -11.402 -6.754 -0.089 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.269 -6.376 -1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.230 -8.230 0.094 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.658 -7.124 1.384 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.877 -6.995 -0.053 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.870 -7.518 1.302 1.00 0.00 H new ATOM 498 N PRO A 30 -13.702 -3.911 -0.907 1.00 0.00 N ATOM 499 CA PRO A 30 -14.088 -2.500 -0.784 1.00 0.00 C ATOM 500 C PRO A 30 -15.551 -2.328 -0.388 1.00 0.00 C ATOM 501 O PRO A 30 -15.924 -1.327 0.223 1.00 0.00 O ATOM 502 CB PRO A 30 -13.847 -1.924 -2.189 1.00 0.00 C ATOM 503 CG PRO A 30 -13.687 -3.107 -3.083 1.00 0.00 C ATOM 504 CD PRO A 30 -13.121 -4.200 -2.227 1.00 0.00 C ATOM 0 HA PRO A 30 -13.517 -1.998 -0.003 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.684 -1.302 -2.507 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.957 -1.295 -2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.644 -3.404 -3.512 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.021 -2.879 -3.916 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.408 -5.187 -2.589 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.032 -4.174 -2.204 1.00 0.00 H new ATOM 512 N THR A 31 -16.374 -3.309 -0.742 1.00 0.00 N ATOM 513 CA THR A 31 -17.793 -3.273 -0.430 1.00 0.00 C ATOM 514 C THR A 31 -18.032 -3.143 1.071 1.00 0.00 C ATOM 515 O THR A 31 -19.079 -2.660 1.503 1.00 0.00 O ATOM 516 CB THR A 31 -18.497 -4.539 -0.944 1.00 0.00 C ATOM 517 OG1 THR A 31 -18.059 -4.837 -2.276 1.00 0.00 O ATOM 518 CG2 THR A 31 -20.001 -4.355 -0.936 1.00 0.00 C ATOM 0 H THR A 31 -16.077 -4.143 -1.249 1.00 0.00 H new ATOM 0 HA THR A 31 -18.208 -2.397 -0.929 1.00 0.00 H new ATOM 0 HB THR A 31 -18.240 -5.366 -0.282 1.00 0.00 H new ATOM 0 HG1 THR A 31 -17.291 -5.445 -2.240 1.00 0.00 H new ATOM 0 HG21 THR A 31 -20.481 -5.262 -1.303 1.00 0.00 H new ATOM 0 HG22 THR A 31 -20.337 -4.153 0.081 1.00 0.00 H new ATOM 0 HG23 THR A 31 -20.268 -3.517 -1.580 1.00 0.00 H new ATOM 526 N THR A 32 -17.057 -3.578 1.864 1.00 0.00 N ATOM 527 CA THR A 32 -17.166 -3.511 3.317 1.00 0.00 C ATOM 528 C THR A 32 -17.330 -2.071 3.792 1.00 0.00 C ATOM 529 O THR A 32 -18.348 -1.715 4.384 1.00 0.00 O ATOM 530 CB THR A 32 -15.937 -4.131 4.007 1.00 0.00 C ATOM 531 OG1 THR A 32 -14.743 -3.462 3.582 1.00 0.00 O ATOM 532 CG2 THR A 32 -15.832 -5.616 3.691 1.00 0.00 C ATOM 0 H THR A 32 -16.183 -3.980 1.525 1.00 0.00 H new ATOM 0 HA THR A 32 -18.052 -4.084 3.591 1.00 0.00 H new ATOM 0 HB THR A 32 -16.055 -4.011 5.084 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.290 -4.003 2.902 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.957 -6.033 4.189 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.728 -6.127 4.044 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.736 -5.753 2.614 1.00 0.00 H new ATOM 540 N GLY A 33 -16.320 -1.245 3.529 1.00 0.00 N ATOM 541 CA GLY A 33 -16.377 0.147 3.938 1.00 0.00 C ATOM 542 C GLY A 33 -15.004 0.775 4.073 1.00 0.00 C ATOM 543 O GLY A 33 -14.749 1.846 3.524 1.00 0.00 O ATOM 0 H GLY A 33 -15.466 -1.515 3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.960 0.711 3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.900 0.220 4.891 1.00 0.00 H new ATOM 547 N TYR A 34 -14.116 0.109 4.808 1.00 0.00 N ATOM 548 CA TYR A 34 -12.765 0.616 5.016 1.00 0.00 C ATOM 549 C TYR A 34 -11.891 0.382 3.786 1.00 0.00 C ATOM 550 O TYR A 34 -12.359 -0.111 2.760 1.00 0.00 O ATOM 551 CB TYR A 34 -12.122 -0.046 6.238 1.00 0.00 C ATOM 552 CG TYR A 34 -12.825 0.251 7.545 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.047 -0.337 7.847 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.262 1.114 8.482 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.690 -0.076 9.042 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.900 1.378 9.679 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.113 0.782 9.954 1.00 0.00 C ATOM 558 OH TYR A 34 -14.750 1.044 11.145 1.00 0.00 O ATOM 0 H TYR A 34 -14.309 -0.781 5.268 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.840 1.690 5.189 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.103 -1.125 6.085 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.086 0.283 6.313 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.502 -1.010 7.135 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.313 1.584 8.270 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.640 -0.542 9.260 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.450 2.049 10.396 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.210 1.667 11.675 1.00 0.00 H new ATOM 568 N MET A 35 -10.617 0.742 3.906 1.00 0.00 N ATOM 569 CA MET A 35 -9.660 0.593 2.840 1.00 0.00 C ATOM 570 C MET A 35 -8.321 0.157 3.400 1.00 0.00 C ATOM 571 O MET A 35 -7.955 0.521 4.517 1.00 0.00 O ATOM 572 CB MET A 35 -9.488 1.924 2.122 1.00 0.00 C ATOM 573 CG MET A 35 -8.173 2.048 1.382 1.00 0.00 C ATOM 574 SD MET A 35 -7.833 3.740 0.856 1.00 0.00 S ATOM 575 CE MET A 35 -7.016 3.467 -0.713 1.00 0.00 C ATOM 0 H MET A 35 -10.227 1.148 4.757 1.00 0.00 H new ATOM 0 HA MET A 35 -10.023 -0.162 2.142 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.307 2.054 1.415 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.564 2.732 2.849 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.364 1.701 2.025 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.188 1.396 0.509 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.400 4.333 -0.958 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.385 2.581 -0.645 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.764 3.321 -1.492 1.00 0.00 H new ATOM 585 N TRP A 36 -7.590 -0.603 2.611 1.00 0.00 N ATOM 586 CA TRP A 36 -6.279 -1.070 3.015 1.00 0.00 C ATOM 587 C TRP A 36 -5.203 -0.279 2.289 1.00 0.00 C ATOM 588 O TRP A 36 -4.688 -0.710 1.257 1.00 0.00 O ATOM 589 CB TRP A 36 -6.120 -2.553 2.722 1.00 0.00 C ATOM 590 CG TRP A 36 -6.292 -3.425 3.925 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.232 -4.400 4.107 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.504 -3.399 5.117 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.074 -4.980 5.342 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.020 -4.382 5.981 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.412 -2.637 5.537 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.478 -4.623 7.239 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.876 -2.876 6.785 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.410 -3.863 7.624 1.00 0.00 C ATOM 0 H TRP A 36 -7.882 -0.911 1.684 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.175 -0.919 4.089 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.848 -2.845 1.965 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.131 -2.726 2.297 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.988 -4.674 3.386 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.648 -5.733 5.721 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.995 -1.874 4.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.887 -5.383 7.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.031 -2.293 7.121 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.968 -4.026 8.596 1.00 0.00 H new ATOM 609 N THR A 37 -4.878 0.885 2.829 1.00 0.00 N ATOM 610 CA THR A 37 -3.874 1.748 2.225 1.00 0.00 C ATOM 611 C THR A 37 -2.816 2.132 3.259 1.00 0.00 C ATOM 612 O THR A 37 -2.783 1.561 4.347 1.00 0.00 O ATOM 613 CB THR A 37 -4.521 3.015 1.639 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.564 3.743 0.865 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.064 3.901 2.748 1.00 0.00 C ATOM 0 H THR A 37 -5.294 1.254 3.684 1.00 0.00 H new ATOM 0 HA THR A 37 -3.397 1.198 1.414 1.00 0.00 H new ATOM 0 HB THR A 37 -5.348 2.712 0.996 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.871 4.667 0.750 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.517 4.792 2.313 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.815 3.353 3.317 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.250 4.195 3.410 1.00 0.00 H new ATOM 623 N ARG A 38 -1.954 3.095 2.933 1.00 0.00 N ATOM 624 CA ARG A 38 -0.911 3.507 3.866 1.00 0.00 C ATOM 625 C ARG A 38 -1.427 4.564 4.846 1.00 0.00 C ATOM 626 O ARG A 38 -2.122 5.503 4.459 1.00 0.00 O ATOM 627 CB ARG A 38 0.332 4.009 3.118 1.00 0.00 C ATOM 628 CG ARG A 38 1.428 2.968 3.013 1.00 0.00 C ATOM 629 CD ARG A 38 2.521 3.384 2.040 1.00 0.00 C ATOM 630 NE ARG A 38 2.784 4.819 2.051 1.00 0.00 N ATOM 631 CZ ARG A 38 3.996 5.337 2.244 1.00 0.00 C ATOM 632 NH1 ARG A 38 5.024 4.543 2.512 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.182 6.646 2.179 1.00 0.00 N ATOM 0 H ARG A 38 -1.957 3.596 2.045 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.622 2.631 4.446 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.042 4.324 2.116 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.724 4.889 3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.864 2.801 3.998 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.997 2.020 2.690 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.439 2.851 2.286 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.236 3.081 1.032 1.00 0.00 H new ATOM 0 HE ARG A 38 2.002 5.457 1.904 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.887 3.534 2.571 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.951 4.941 2.659 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.395 7.264 1.980 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.112 7.037 2.328 1.00 0.00 H new ATOM 647 N VAL A 39 -1.080 4.386 6.122 1.00 0.00 N ATOM 648 CA VAL A 39 -1.501 5.293 7.191 1.00 0.00 C ATOM 649 C VAL A 39 -1.257 6.756 6.831 1.00 0.00 C ATOM 650 O VAL A 39 -0.338 7.079 6.077 1.00 0.00 O ATOM 651 CB VAL A 39 -0.762 4.978 8.510 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.287 5.848 9.643 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.887 3.503 8.862 1.00 0.00 C ATOM 0 H VAL A 39 -0.500 3.611 6.443 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.572 5.137 7.321 1.00 0.00 H new ATOM 0 HB VAL A 39 0.295 5.204 8.368 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.753 5.609 10.563 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.134 6.899 9.396 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.352 5.660 9.783 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.359 3.305 9.795 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.939 3.245 8.980 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.453 2.900 8.064 1.00 0.00 H new ATOM 663 N GLY A 40 -2.091 7.636 7.383 1.00 0.00 N ATOM 664 CA GLY A 40 -1.961 9.059 7.124 1.00 0.00 C ATOM 665 C GLY A 40 -2.192 9.409 5.669 1.00 0.00 C ATOM 666 O GLY A 40 -2.101 10.573 5.281 1.00 0.00 O ATOM 0 H GLY A 40 -2.857 7.386 8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.674 9.604 7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.965 9.389 7.420 1.00 0.00 H new ATOM 670 N PHE A 41 -2.499 8.397 4.865 1.00 0.00 N ATOM 671 CA PHE A 41 -2.737 8.592 3.442 1.00 0.00 C ATOM 672 C PHE A 41 -4.085 8.019 3.042 1.00 0.00 C ATOM 673 O PHE A 41 -4.272 7.537 1.925 1.00 0.00 O ATOM 674 CB PHE A 41 -1.607 7.948 2.643 1.00 0.00 C ATOM 675 CG PHE A 41 -0.264 8.511 3.009 1.00 0.00 C ATOM 676 CD1 PHE A 41 -0.104 9.875 3.177 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.827 7.683 3.199 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.122 10.408 3.525 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.056 8.208 3.550 1.00 0.00 C ATOM 680 CZ PHE A 41 2.205 9.573 3.711 1.00 0.00 C ATOM 0 H PHE A 41 -2.589 7.430 5.177 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.755 9.660 3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.608 6.872 2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.785 8.099 1.578 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.949 10.532 3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.718 6.616 3.072 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.233 11.475 3.651 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.901 7.552 3.699 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.166 9.985 3.982 1.00 0.00 H new ATOM 690 N VAL A 42 -5.022 8.087 3.976 1.00 0.00 N ATOM 691 CA VAL A 42 -6.374 7.591 3.758 1.00 0.00 C ATOM 692 C VAL A 42 -7.045 8.323 2.597 1.00 0.00 C ATOM 693 O VAL A 42 -7.529 9.446 2.752 1.00 0.00 O ATOM 694 CB VAL A 42 -7.230 7.736 5.035 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.052 9.115 5.652 1.00 0.00 C ATOM 696 CG2 VAL A 42 -8.698 7.457 4.745 1.00 0.00 C ATOM 0 H VAL A 42 -4.868 8.485 4.902 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.298 6.533 3.507 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.885 6.995 5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.665 9.194 6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.004 9.264 5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.359 9.877 4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.277 7.566 5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.062 8.164 3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.807 6.441 4.366 1.00 0.00 H new ATOM 706 N GLY A 43 -7.061 7.682 1.431 1.00 0.00 N ATOM 707 CA GLY A 43 -7.675 8.284 0.261 1.00 0.00 C ATOM 708 C GLY A 43 -6.717 8.396 -0.910 1.00 0.00 C ATOM 709 O GLY A 43 -7.141 8.409 -2.066 1.00 0.00 O ATOM 0 H GLY A 43 -6.660 6.757 1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.539 7.690 -0.037 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.044 9.276 0.519 1.00 0.00 H new ATOM 713 N LYS A 44 -5.423 8.476 -0.612 1.00 0.00 N ATOM 714 CA LYS A 44 -4.405 8.590 -1.646 1.00 0.00 C ATOM 715 C LYS A 44 -4.295 7.303 -2.457 1.00 0.00 C ATOM 716 O LYS A 44 -5.017 6.336 -2.209 1.00 0.00 O ATOM 717 CB LYS A 44 -3.055 8.925 -1.014 1.00 0.00 C ATOM 718 CG LYS A 44 -3.030 10.273 -0.314 1.00 0.00 C ATOM 719 CD LYS A 44 -1.621 10.650 0.110 1.00 0.00 C ATOM 720 CE LYS A 44 -1.589 12.010 0.789 1.00 0.00 C ATOM 721 NZ LYS A 44 -2.066 13.093 -0.114 1.00 0.00 N ATOM 0 H LYS A 44 -5.057 8.464 0.340 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.698 9.393 -2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.796 8.147 -0.296 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.288 8.912 -1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.428 11.038 -0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.679 10.243 0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.230 9.893 0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.968 10.662 -0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.211 11.984 1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.572 12.230 1.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.811 14.018 0.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.621 12.987 -1.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.099 13.032 -0.214 1.00 0.00 H new ATOM 735 N ASP A 45 -3.387 7.299 -3.428 1.00 0.00 N ATOM 736 CA ASP A 45 -3.180 6.136 -4.281 1.00 0.00 C ATOM 737 C ASP A 45 -1.724 5.684 -4.255 1.00 0.00 C ATOM 738 O ASP A 45 -1.431 4.512 -4.018 1.00 0.00 O ATOM 739 CB ASP A 45 -3.594 6.461 -5.715 1.00 0.00 C ATOM 740 CG ASP A 45 -4.811 5.673 -6.161 1.00 0.00 C ATOM 741 OD1 ASP A 45 -4.632 4.562 -6.705 1.00 0.00 O ATOM 742 OD2 ASP A 45 -5.941 6.167 -5.967 1.00 0.00 O ATOM 0 H ASP A 45 -2.782 8.091 -3.643 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.797 5.323 -3.898 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.806 7.527 -5.796 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.762 6.250 -6.387 1.00 0.00 H new ATOM 747 N VAL A 46 -0.815 6.623 -4.500 1.00 0.00 N ATOM 748 CA VAL A 46 0.612 6.324 -4.511 1.00 0.00 C ATOM 749 C VAL A 46 1.119 5.995 -3.111 1.00 0.00 C ATOM 750 O VAL A 46 1.850 5.024 -2.925 1.00 0.00 O ATOM 751 CB VAL A 46 1.425 7.497 -5.093 1.00 0.00 C ATOM 752 CG1 VAL A 46 1.076 8.798 -4.385 1.00 0.00 C ATOM 753 CG2 VAL A 46 2.919 7.217 -5.006 1.00 0.00 C ATOM 0 H VAL A 46 -1.042 7.598 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 46 0.750 5.451 -5.149 1.00 0.00 H new ATOM 0 HB VAL A 46 1.162 7.602 -6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.661 9.613 -4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.014 9.008 -4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.302 8.706 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.472 8.059 -5.423 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.203 7.077 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.153 6.314 -5.570 1.00 0.00 H new ATOM 763 N LEU A 47 0.713 6.807 -2.136 1.00 0.00 N ATOM 764 CA LEU A 47 1.101 6.625 -0.742 1.00 0.00 C ATOM 765 C LEU A 47 2.574 6.964 -0.535 1.00 0.00 C ATOM 766 O LEU A 47 2.912 7.891 0.201 1.00 0.00 O ATOM 767 CB LEU A 47 0.812 5.197 -0.290 1.00 0.00 C ATOM 768 CG LEU A 47 -0.467 4.575 -0.865 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.640 3.147 -0.368 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.682 5.417 -0.509 1.00 0.00 C ATOM 0 H LEU A 47 0.105 7.611 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 47 0.509 7.309 -0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.658 4.568 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.746 5.184 0.798 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.375 4.551 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.553 2.724 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.215 2.547 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.706 3.146 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.578 4.958 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.777 5.478 0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.563 6.420 -0.920 1.00 0.00 H new ATOM 782 N SER A 48 3.437 6.198 -1.190 1.00 0.00 N ATOM 783 CA SER A 48 4.882 6.387 -1.114 1.00 0.00 C ATOM 784 C SER A 48 5.284 7.852 -1.284 1.00 0.00 C ATOM 785 O SER A 48 4.457 8.704 -1.610 1.00 0.00 O ATOM 786 CB SER A 48 5.554 5.550 -2.196 1.00 0.00 C ATOM 787 OG SER A 48 5.375 6.130 -3.477 1.00 0.00 O ATOM 0 H SER A 48 3.154 5.425 -1.792 1.00 0.00 H new ATOM 0 HA SER A 48 5.207 6.070 -0.123 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.619 5.459 -1.981 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.140 4.542 -2.189 1.00 0.00 H new ATOM 0 HG SER A 48 5.817 5.574 -4.152 1.00 0.00 H new ATOM 793 N ASP A 49 6.571 8.133 -1.080 1.00 0.00 N ATOM 794 CA ASP A 49 7.089 9.491 -1.204 1.00 0.00 C ATOM 795 C ASP A 49 8.573 9.491 -1.553 1.00 0.00 C ATOM 796 O ASP A 49 8.948 9.583 -2.721 1.00 0.00 O ATOM 797 CB ASP A 49 6.868 10.271 0.094 1.00 0.00 C ATOM 798 CG ASP A 49 5.414 10.637 0.314 1.00 0.00 C ATOM 799 OD1 ASP A 49 4.990 11.707 -0.172 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.697 9.855 0.973 1.00 0.00 O ATOM 0 H ASP A 49 7.272 7.437 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 49 6.544 9.976 -2.014 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.220 9.675 0.936 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.469 11.180 0.074 1.00 0.00 H new ATOM 805 N GLU A 50 9.412 9.385 -0.527 1.00 0.00 N ATOM 806 CA GLU A 50 10.855 9.389 -0.713 1.00 0.00 C ATOM 807 C GLU A 50 11.515 8.229 0.027 1.00 0.00 C ATOM 808 O GLU A 50 12.520 7.683 -0.424 1.00 0.00 O ATOM 809 CB GLU A 50 11.419 10.713 -0.210 1.00 0.00 C ATOM 810 CG GLU A 50 11.238 10.919 1.285 1.00 0.00 C ATOM 811 CD GLU A 50 11.838 12.222 1.774 1.00 0.00 C ATOM 812 OE1 GLU A 50 11.119 13.243 1.776 1.00 0.00 O ATOM 813 OE2 GLU A 50 13.028 12.221 2.155 1.00 0.00 O ATOM 0 H GLU A 50 9.114 9.295 0.444 1.00 0.00 H new ATOM 0 HA GLU A 50 11.068 9.270 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.481 10.761 -0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.935 11.531 -0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.175 10.902 1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.698 10.089 1.820 1.00 0.00 H new ATOM 820 N ILE A 51 10.942 7.863 1.168 1.00 0.00 N ATOM 821 CA ILE A 51 11.474 6.777 1.981 1.00 0.00 C ATOM 822 C ILE A 51 11.260 5.427 1.314 1.00 0.00 C ATOM 823 O ILE A 51 12.182 4.854 0.737 1.00 0.00 O ATOM 824 CB ILE A 51 10.810 6.758 3.368 1.00 0.00 C ATOM 825 CG1 ILE A 51 10.864 8.151 3.993 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.483 5.734 4.270 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.263 8.605 4.352 1.00 0.00 C ATOM 0 H ILE A 51 10.106 8.304 1.551 1.00 0.00 H new ATOM 0 HA ILE A 51 12.544 6.954 2.089 1.00 0.00 H new ATOM 0 HB ILE A 51 9.765 6.469 3.253 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.426 8.868 3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.247 8.160 4.892 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.999 5.736 5.247 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.396 4.743 3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.536 5.988 4.387 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.221 9.602 4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.698 7.911 5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.879 8.630 3.453 1.00 0.00 H new ATOM 839 N LEU A 52 10.041 4.915 1.416 1.00 0.00 N ATOM 840 CA LEU A 52 9.697 3.633 0.815 1.00 0.00 C ATOM 841 C LEU A 52 8.896 3.816 -0.467 1.00 0.00 C ATOM 842 O LEU A 52 7.793 4.358 -0.434 1.00 0.00 O ATOM 843 CB LEU A 52 8.881 2.788 1.797 1.00 0.00 C ATOM 844 CG LEU A 52 9.699 1.886 2.718 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.847 1.398 3.877 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.267 0.708 1.944 1.00 0.00 C ATOM 0 H LEU A 52 9.272 5.368 1.910 1.00 0.00 H new ATOM 0 HA LEU A 52 10.631 3.125 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.278 3.456 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.189 2.167 1.228 1.00 0.00 H new ATOM 0 HG LEU A 52 10.529 2.467 3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.446 0.756 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.486 2.253 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.998 0.834 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.847 0.076 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.451 0.127 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.911 1.074 1.145 1.00 0.00 H new ATOM 858 N GLU A 53 9.464 3.391 -1.595 1.00 0.00 N ATOM 859 CA GLU A 53 8.766 3.471 -2.873 1.00 0.00 C ATOM 860 C GLU A 53 7.599 2.494 -2.881 1.00 0.00 C ATOM 861 O GLU A 53 7.622 1.481 -3.581 1.00 0.00 O ATOM 862 CB GLU A 53 9.720 3.154 -4.024 1.00 0.00 C ATOM 863 CG GLU A 53 10.131 4.371 -4.820 1.00 0.00 C ATOM 864 CD GLU A 53 9.291 4.565 -6.068 1.00 0.00 C ATOM 865 OE1 GLU A 53 9.671 4.026 -7.129 1.00 0.00 O ATOM 866 OE2 GLU A 53 8.255 5.256 -5.985 1.00 0.00 O ATOM 0 H GLU A 53 10.400 2.990 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 53 8.389 4.485 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.613 2.673 -3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.244 2.436 -4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.049 5.257 -4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.179 4.278 -5.103 1.00 0.00 H new ATOM 873 N VAL A 54 6.585 2.802 -2.087 1.00 0.00 N ATOM 874 CA VAL A 54 5.413 1.955 -1.976 1.00 0.00 C ATOM 875 C VAL A 54 4.491 2.104 -3.173 1.00 0.00 C ATOM 876 O VAL A 54 3.534 2.880 -3.141 1.00 0.00 O ATOM 877 CB VAL A 54 4.611 2.266 -0.703 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.519 1.229 -0.506 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.530 2.332 0.507 1.00 0.00 C ATOM 0 H VAL A 54 6.553 3.640 -1.507 1.00 0.00 H new ATOM 0 HA VAL A 54 5.785 0.931 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 54 4.139 3.242 -0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.957 1.460 0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.846 1.242 -1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.969 0.241 -0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.943 2.553 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.034 1.374 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.272 3.116 0.358 1.00 0.00 H new ATOM 889 N VAL A 55 4.786 1.370 -4.232 1.00 0.00 N ATOM 890 CA VAL A 55 3.957 1.401 -5.419 1.00 0.00 C ATOM 891 C VAL A 55 2.736 0.529 -5.192 1.00 0.00 C ATOM 892 O VAL A 55 2.725 -0.656 -5.525 1.00 0.00 O ATOM 893 CB VAL A 55 4.706 0.908 -6.661 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.872 1.156 -7.907 1.00 0.00 C ATOM 895 CG2 VAL A 55 6.067 1.580 -6.770 1.00 0.00 C ATOM 0 H VAL A 55 5.592 0.748 -4.292 1.00 0.00 H new ATOM 0 HA VAL A 55 3.667 2.436 -5.598 1.00 0.00 H new ATOM 0 HB VAL A 55 4.872 -0.165 -6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.414 0.802 -8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.926 0.621 -7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.677 2.224 -8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.582 1.216 -7.659 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.935 2.659 -6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.660 1.347 -5.886 1.00 0.00 H new ATOM 905 N CYS A 56 1.719 1.130 -4.608 1.00 0.00 N ATOM 906 CA CYS A 56 0.488 0.423 -4.291 1.00 0.00 C ATOM 907 C CYS A 56 -0.592 0.697 -5.325 1.00 0.00 C ATOM 908 O CYS A 56 -0.723 1.813 -5.828 1.00 0.00 O ATOM 909 CB CYS A 56 -0.011 0.825 -2.904 1.00 0.00 C ATOM 910 SG CYS A 56 -1.588 0.075 -2.439 1.00 0.00 S ATOM 0 H CYS A 56 1.719 2.114 -4.340 1.00 0.00 H new ATOM 0 HA CYS A 56 0.707 -0.645 -4.302 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.742 0.549 -2.165 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.112 1.910 -2.867 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.924 0.475 -1.249 1.00 0.00 H new ATOM 916 N LYS A 57 -1.362 -0.336 -5.632 1.00 0.00 N ATOM 917 CA LYS A 57 -2.444 -0.228 -6.592 1.00 0.00 C ATOM 918 C LYS A 57 -3.700 -0.877 -6.037 1.00 0.00 C ATOM 919 O LYS A 57 -3.782 -2.101 -5.911 1.00 0.00 O ATOM 920 CB LYS A 57 -2.064 -0.889 -7.911 1.00 0.00 C ATOM 921 CG LYS A 57 -0.715 -0.447 -8.455 1.00 0.00 C ATOM 922 CD LYS A 57 -0.752 0.997 -8.930 1.00 0.00 C ATOM 923 CE LYS A 57 0.594 1.437 -9.485 1.00 0.00 C ATOM 924 NZ LYS A 57 0.562 2.843 -9.973 1.00 0.00 N ATOM 0 H LYS A 57 -1.254 -1.265 -5.225 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.634 0.830 -6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.053 -1.970 -7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.833 -0.669 -8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.044 -0.557 -7.681 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.424 -1.096 -9.281 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.517 1.109 -9.698 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.035 1.646 -8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.355 1.339 -8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.883 0.776 -10.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.498 3.103 -10.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.146 2.932 -10.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.311 3.477 -9.188 1.00 0.00 H new ATOM 938 N TYR A 58 -4.666 -0.045 -5.698 1.00 0.00 N ATOM 939 CA TYR A 58 -5.931 -0.520 -5.161 1.00 0.00 C ATOM 940 C TYR A 58 -6.804 -1.027 -6.304 1.00 0.00 C ATOM 941 O TYR A 58 -7.424 -0.241 -7.020 1.00 0.00 O ATOM 942 CB TYR A 58 -6.634 0.607 -4.390 1.00 0.00 C ATOM 943 CG TYR A 58 -7.806 0.152 -3.546 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.807 -0.655 -4.081 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.918 0.544 -2.213 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.881 -1.064 -3.321 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.998 0.139 -1.449 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.972 -0.664 -2.007 1.00 0.00 C ATOM 949 OH TYR A 58 -11.043 -1.064 -1.242 1.00 0.00 O ATOM 0 H TYR A 58 -4.600 0.969 -5.785 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.751 -1.340 -4.466 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.906 1.098 -3.744 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.983 1.355 -5.102 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.740 -0.967 -5.113 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.155 1.169 -1.773 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.645 -1.693 -3.753 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.079 0.451 -0.418 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.620 -0.293 -1.058 1.00 0.00 H new ATOM 959 N THR A 59 -6.842 -2.346 -6.473 1.00 0.00 N ATOM 960 CA THR A 59 -7.622 -2.961 -7.542 1.00 0.00 C ATOM 961 C THR A 59 -9.017 -3.358 -7.070 1.00 0.00 C ATOM 962 O THR A 59 -9.175 -4.310 -6.306 1.00 0.00 O ATOM 963 CB THR A 59 -6.915 -4.211 -8.098 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.569 -3.891 -8.466 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.659 -4.761 -9.307 1.00 0.00 C ATOM 0 H THR A 59 -6.341 -3.010 -5.882 1.00 0.00 H new ATOM 0 HA THR A 59 -7.713 -2.211 -8.327 1.00 0.00 H new ATOM 0 HB THR A 59 -6.906 -4.973 -7.318 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.127 -4.692 -8.817 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.141 -5.644 -9.682 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.674 -5.032 -9.017 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.695 -4.002 -10.088 1.00 0.00 H new ATOM 973 N PRO A 60 -10.048 -2.627 -7.522 1.00 0.00 N ATOM 974 CA PRO A 60 -11.429 -2.879 -7.184 1.00 0.00 C ATOM 975 C PRO A 60 -12.175 -3.542 -8.341 1.00 0.00 C ATOM 976 O PRO A 60 -12.815 -2.864 -9.146 1.00 0.00 O ATOM 977 CB PRO A 60 -11.925 -1.454 -6.960 1.00 0.00 C ATOM 978 CG PRO A 60 -11.139 -0.618 -7.929 1.00 0.00 C ATOM 979 CD PRO A 60 -9.973 -1.453 -8.390 1.00 0.00 C ATOM 0 HA PRO A 60 -11.572 -3.554 -6.340 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.996 -1.374 -7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.755 -1.133 -5.932 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.760 -0.323 -8.775 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.792 0.299 -7.453 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.060 -1.723 -9.443 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.027 -0.925 -8.274 1.00 0.00 H new ATOM 987 N THR A 61 -12.080 -4.866 -8.426 1.00 0.00 N ATOM 988 CA THR A 61 -12.733 -5.615 -9.497 1.00 0.00 C ATOM 989 C THR A 61 -14.198 -5.211 -9.651 1.00 0.00 C ATOM 990 O THR A 61 -14.937 -5.136 -8.670 1.00 0.00 O ATOM 991 CB THR A 61 -12.658 -7.132 -9.252 1.00 0.00 C ATOM 992 OG1 THR A 61 -11.445 -7.461 -8.565 1.00 0.00 O ATOM 993 CG2 THR A 61 -12.719 -7.898 -10.567 1.00 0.00 C ATOM 0 H THR A 61 -11.557 -5.443 -7.767 1.00 0.00 H new ATOM 0 HA THR A 61 -12.196 -5.373 -10.414 1.00 0.00 H new ATOM 0 HB THR A 61 -13.513 -7.418 -8.639 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.650 -7.710 -7.640 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.664 -8.968 -10.368 1.00 0.00 H new ATOM 0 HG22 THR A 61 -13.655 -7.671 -11.077 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.881 -7.603 -11.199 1.00 0.00 H new ATOM 1001 N PRO A 62 -14.637 -4.953 -10.896 1.00 0.00 N ATOM 1002 CA PRO A 62 -16.017 -4.552 -11.191 1.00 0.00 C ATOM 1003 C PRO A 62 -17.039 -5.522 -10.610 1.00 0.00 C ATOM 1004 O PRO A 62 -16.747 -6.701 -10.408 1.00 0.00 O ATOM 1005 CB PRO A 62 -16.083 -4.563 -12.726 1.00 0.00 C ATOM 1006 CG PRO A 62 -14.861 -5.299 -13.169 1.00 0.00 C ATOM 1007 CD PRO A 62 -13.828 -5.043 -12.117 1.00 0.00 C ATOM 0 HA PRO A 62 -16.257 -3.584 -10.751 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -16.989 -5.058 -13.077 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.098 -3.549 -13.126 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -15.062 -6.366 -13.269 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -14.523 -4.946 -14.143 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.097 -5.849 -12.061 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -13.275 -4.123 -12.306 1.00 0.00 H new ATOM 1015 N SER A 63 -18.239 -5.017 -10.344 1.00 0.00 N ATOM 1016 CA SER A 63 -19.306 -5.829 -9.787 1.00 0.00 C ATOM 1017 C SER A 63 -19.798 -6.857 -10.801 1.00 0.00 C ATOM 1018 O SER A 63 -20.322 -6.502 -11.856 1.00 0.00 O ATOM 1019 CB SER A 63 -20.460 -4.930 -9.353 1.00 0.00 C ATOM 1020 OG SER A 63 -20.036 -3.984 -8.387 1.00 0.00 O ATOM 0 H SER A 63 -18.494 -4.043 -10.508 1.00 0.00 H new ATOM 0 HA SER A 63 -18.917 -6.366 -8.922 1.00 0.00 H new ATOM 0 HB2 SER A 63 -20.866 -4.411 -10.221 1.00 0.00 H new ATOM 0 HB3 SER A 63 -21.264 -5.539 -8.941 1.00 0.00 H new ATOM 0 HG SER A 63 -20.574 -3.169 -8.469 1.00 0.00 H new ATOM 1026 N SER A 64 -19.626 -8.133 -10.471 1.00 0.00 N ATOM 1027 CA SER A 64 -20.056 -9.213 -11.350 1.00 0.00 C ATOM 1028 C SER A 64 -21.557 -9.450 -11.218 1.00 0.00 C ATOM 1029 O SER A 64 -22.184 -10.035 -12.102 1.00 0.00 O ATOM 1030 CB SER A 64 -19.293 -10.499 -11.026 1.00 0.00 C ATOM 1031 OG SER A 64 -19.518 -10.903 -9.686 1.00 0.00 O ATOM 0 H SER A 64 -19.192 -8.444 -9.602 1.00 0.00 H new ATOM 0 HA SER A 64 -19.839 -8.922 -12.378 1.00 0.00 H new ATOM 0 HB2 SER A 64 -19.606 -11.292 -11.705 1.00 0.00 H new ATOM 0 HB3 SER A 64 -18.226 -10.343 -11.188 1.00 0.00 H new ATOM 0 HG SER A 64 -19.021 -11.728 -9.505 1.00 0.00 H new ATOM 1037 N THR A 65 -22.124 -8.990 -10.107 1.00 0.00 N ATOM 1038 CA THR A 65 -23.550 -9.146 -9.854 1.00 0.00 C ATOM 1039 C THR A 65 -24.355 -8.068 -10.578 1.00 0.00 C ATOM 1040 O THR A 65 -23.829 -7.000 -10.891 1.00 0.00 O ATOM 1041 CB THR A 65 -23.859 -9.079 -8.347 1.00 0.00 C ATOM 1042 OG1 THR A 65 -23.418 -7.826 -7.811 1.00 0.00 O ATOM 1043 CG2 THR A 65 -23.181 -10.221 -7.605 1.00 0.00 C ATOM 0 H THR A 65 -21.616 -8.506 -9.367 1.00 0.00 H new ATOM 0 HA THR A 65 -23.838 -10.127 -10.233 1.00 0.00 H new ATOM 0 HB THR A 65 -24.937 -9.170 -8.215 1.00 0.00 H new ATOM 0 HG1 THR A 65 -23.620 -7.791 -6.853 1.00 0.00 H new ATOM 0 HG21 THR A 65 -23.413 -10.153 -6.542 1.00 0.00 H new ATOM 0 HG22 THR A 65 -23.541 -11.173 -7.995 1.00 0.00 H new ATOM 0 HG23 THR A 65 -22.102 -10.156 -7.745 1.00 0.00 H new ATOM 1051 N PRO A 66 -25.646 -8.333 -10.851 1.00 0.00 N ATOM 1052 CA PRO A 66 -26.522 -7.379 -11.541 1.00 0.00 C ATOM 1053 C PRO A 66 -26.964 -6.237 -10.640 1.00 0.00 C ATOM 1054 O PRO A 66 -27.868 -5.472 -10.978 1.00 0.00 O ATOM 1055 CB PRO A 66 -27.720 -8.239 -11.933 1.00 0.00 C ATOM 1056 CG PRO A 66 -27.787 -9.259 -10.854 1.00 0.00 C ATOM 1057 CD PRO A 66 -26.358 -9.585 -10.519 1.00 0.00 C ATOM 0 HA PRO A 66 -26.023 -6.897 -12.381 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -28.636 -7.650 -11.985 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -27.580 -8.699 -12.911 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -28.316 -8.874 -9.982 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -28.324 -10.147 -11.186 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -26.240 -9.850 -9.468 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -25.988 -10.427 -11.104 1.00 0.00 H new ATOM 1065 N MET A 67 -26.315 -6.131 -9.496 1.00 0.00 N ATOM 1066 CA MET A 67 -26.626 -5.086 -8.527 1.00 0.00 C ATOM 1067 C MET A 67 -25.385 -4.265 -8.187 1.00 0.00 C ATOM 1068 O MET A 67 -24.940 -3.440 -8.984 1.00 0.00 O ATOM 1069 CB MET A 67 -27.228 -5.698 -7.260 1.00 0.00 C ATOM 1070 CG MET A 67 -28.503 -6.485 -7.511 1.00 0.00 C ATOM 1071 SD MET A 67 -29.191 -7.195 -6.002 1.00 0.00 S ATOM 1072 CE MET A 67 -30.632 -8.037 -6.651 1.00 0.00 C ATOM 0 H MET A 67 -25.563 -6.758 -9.210 1.00 0.00 H new ATOM 0 HA MET A 67 -27.360 -4.416 -8.975 1.00 0.00 H new ATOM 0 HB2 MET A 67 -26.491 -6.355 -6.798 1.00 0.00 H new ATOM 0 HB3 MET A 67 -27.437 -4.902 -6.546 1.00 0.00 H new ATOM 0 HG2 MET A 67 -29.244 -5.831 -7.971 1.00 0.00 H new ATOM 0 HG3 MET A 67 -28.298 -7.284 -8.223 1.00 0.00 H new ATOM 0 HE1 MET A 67 -31.165 -8.527 -5.836 1.00 0.00 H new ATOM 0 HE2 MET A 67 -31.290 -7.313 -7.132 1.00 0.00 H new ATOM 0 HE3 MET A 67 -30.319 -8.784 -7.381 1.00 0.00 H new ATOM 1082 N VAL A 68 -24.829 -4.496 -7.001 1.00 0.00 N ATOM 1083 CA VAL A 68 -23.641 -3.775 -6.556 1.00 0.00 C ATOM 1084 C VAL A 68 -22.718 -4.686 -5.751 1.00 0.00 C ATOM 1085 O VAL A 68 -23.181 -5.532 -4.984 1.00 0.00 O ATOM 1086 CB VAL A 68 -24.016 -2.550 -5.694 1.00 0.00 C ATOM 1087 CG1 VAL A 68 -22.766 -1.844 -5.188 1.00 0.00 C ATOM 1088 CG2 VAL A 68 -24.894 -1.589 -6.480 1.00 0.00 C ATOM 0 H VAL A 68 -25.183 -5.178 -6.330 1.00 0.00 H new ATOM 0 HA VAL A 68 -23.122 -3.434 -7.452 1.00 0.00 H new ATOM 0 HB VAL A 68 -24.581 -2.901 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -23.054 -0.984 -4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -22.179 -2.534 -4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -22.170 -1.508 -6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -25.147 -0.733 -5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -24.357 -1.246 -7.365 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -25.808 -2.098 -6.785 1.00 0.00 H new ATOM 1098 N GLY A 69 -21.412 -4.508 -5.931 1.00 0.00 N ATOM 1099 CA GLY A 69 -20.447 -5.321 -5.211 1.00 0.00 C ATOM 1100 C GLY A 69 -19.114 -5.418 -5.927 1.00 0.00 C ATOM 1101 O GLY A 69 -18.888 -6.342 -6.709 1.00 0.00 O ATOM 0 H GLY A 69 -21.005 -3.817 -6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -20.292 -4.899 -4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -20.854 -6.323 -5.072 1.00 0.00 H new ATOM 1105 N VAL A 70 -18.230 -4.461 -5.660 1.00 0.00 N ATOM 1106 CA VAL A 70 -16.909 -4.441 -6.281 1.00 0.00 C ATOM 1107 C VAL A 70 -16.137 -5.715 -5.961 1.00 0.00 C ATOM 1108 O VAL A 70 -16.200 -6.697 -6.700 1.00 0.00 O ATOM 1109 CB VAL A 70 -16.093 -3.213 -5.823 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -14.723 -3.195 -6.485 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -16.851 -1.929 -6.124 1.00 0.00 C ATOM 0 H VAL A 70 -18.405 -3.688 -5.017 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.060 -4.378 -7.359 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.946 -3.283 -4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -14.167 -2.321 -6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.177 -4.099 -6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.843 -3.152 -7.568 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -16.262 -1.073 -5.795 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.030 -1.855 -7.197 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -17.805 -1.937 -5.596 1.00 0.00 H new ATOM 1121 N GLY A 71 -15.412 -5.684 -4.856 1.00 0.00 N ATOM 1122 CA GLY A 71 -14.638 -6.839 -4.435 1.00 0.00 C ATOM 1123 C GLY A 71 -13.303 -6.950 -5.145 1.00 0.00 C ATOM 1124 O GLY A 71 -13.231 -7.424 -6.279 1.00 0.00 O ATOM 0 H GLY A 71 -15.343 -4.876 -4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.468 -6.783 -3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.217 -7.744 -4.619 1.00 0.00 H new ATOM 1128 N GLY A 72 -12.245 -6.511 -4.473 1.00 0.00 N ATOM 1129 CA GLY A 72 -10.912 -6.576 -5.047 1.00 0.00 C ATOM 1130 C GLY A 72 -9.850 -6.793 -3.988 1.00 0.00 C ATOM 1131 O GLY A 72 -10.118 -7.410 -2.956 1.00 0.00 O ATOM 0 H GLY A 72 -12.286 -6.109 -3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.869 -7.386 -5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.704 -5.652 -5.586 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.642 -6.289 -4.232 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.559 -6.432 -3.274 1.00 0.00 C ATOM 1137 C ILE A 73 -6.710 -5.173 -3.207 1.00 0.00 C ATOM 1138 O ILE A 73 -7.087 -4.122 -3.726 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.636 -7.623 -3.593 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -6.025 -7.499 -4.984 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.367 -8.942 -3.439 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.702 -8.225 -5.098 1.00 0.00 C ATOM 0 H ILE A 73 -8.394 -5.781 -5.081 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.041 -6.611 -2.313 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.821 -7.604 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.721 -7.899 -5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.880 -6.445 -5.222 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.689 -9.763 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.722 -9.044 -2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.216 -8.969 -4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.308 -8.107 -6.107 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.995 -7.808 -4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.849 -9.284 -4.888 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.559 -5.294 -2.558 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.642 -4.180 -2.405 1.00 0.00 C ATOM 1156 C TYR A 74 -3.213 -4.627 -2.707 1.00 0.00 C ATOM 1157 O TYR A 74 -2.537 -5.193 -1.849 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.743 -3.633 -0.978 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.146 -3.706 -0.407 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.591 -4.843 0.259 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.029 -2.641 -0.534 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.869 -4.917 0.775 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.310 -2.713 -0.014 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.723 -3.850 0.638 1.00 0.00 C ATOM 1165 OH TYR A 74 -9.997 -3.922 1.153 1.00 0.00 O ATOM 0 H TYR A 74 -5.240 -6.162 -2.127 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.908 -3.392 -3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.066 -4.193 -0.333 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.408 -2.596 -0.969 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.924 -5.684 0.375 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.712 -1.744 -1.046 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.196 -5.811 1.285 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.984 -1.876 -0.121 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.471 -3.084 0.972 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.765 -4.379 -3.938 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.423 -4.764 -4.359 1.00 0.00 C ATOM 1177 C VAL A 75 -0.403 -3.717 -3.938 1.00 0.00 C ATOM 1178 O VAL A 75 -0.287 -2.662 -4.559 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.343 -4.963 -5.886 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.095 -5.207 -6.324 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -2.238 -6.112 -6.322 1.00 0.00 C ATOM 0 H VAL A 75 -3.314 -3.913 -4.660 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.195 -5.711 -3.870 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.695 -4.051 -6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.128 -5.345 -7.405 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.710 -4.350 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.478 -6.101 -5.833 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.169 -6.237 -7.403 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.918 -7.030 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.270 -5.894 -6.048 1.00 0.00 H new ATOM 1191 N VAL A 76 0.339 -4.017 -2.882 1.00 0.00 N ATOM 1192 CA VAL A 76 1.342 -3.091 -2.371 1.00 0.00 C ATOM 1193 C VAL A 76 2.766 -3.528 -2.709 1.00 0.00 C ATOM 1194 O VAL A 76 3.178 -4.642 -2.384 1.00 0.00 O ATOM 1195 CB VAL A 76 1.226 -2.934 -0.844 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.198 -1.876 -0.343 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.200 -2.593 -0.444 1.00 0.00 C ATOM 0 H VAL A 76 0.267 -4.892 -2.363 1.00 0.00 H new ATOM 0 HA VAL A 76 1.145 -2.137 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 76 1.487 -3.885 -0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.103 -1.778 0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.217 -2.171 -0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.971 -0.920 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.259 -2.487 0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.497 -1.657 -0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.869 -3.391 -0.767 1.00 0.00 H new ATOM 1207 N LEU A 77 3.509 -2.640 -3.370 1.00 0.00 N ATOM 1208 CA LEU A 77 4.899 -2.902 -3.725 1.00 0.00 C ATOM 1209 C LEU A 77 5.809 -1.965 -2.952 1.00 0.00 C ATOM 1210 O LEU A 77 5.937 -0.794 -3.294 1.00 0.00 O ATOM 1211 CB LEU A 77 5.128 -2.713 -5.226 1.00 0.00 C ATOM 1212 CG LEU A 77 4.426 -3.737 -6.120 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.691 -3.433 -7.587 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.880 -5.146 -5.774 1.00 0.00 C ATOM 0 H LEU A 77 3.166 -1.728 -3.671 1.00 0.00 H new ATOM 0 HA LEU A 77 5.128 -3.936 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.791 -1.715 -5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.199 -2.754 -5.423 1.00 0.00 H new ATOM 0 HG LEU A 77 3.352 -3.671 -5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.184 -4.171 -8.209 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.316 -2.438 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.763 -3.472 -7.779 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.371 -5.861 -6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.957 -5.228 -5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.638 -5.361 -4.733 1.00 0.00 H new ATOM 1226 N VAL A 78 6.448 -2.480 -1.915 1.00 0.00 N ATOM 1227 CA VAL A 78 7.319 -1.651 -1.094 1.00 0.00 C ATOM 1228 C VAL A 78 8.775 -1.764 -1.536 1.00 0.00 C ATOM 1229 O VAL A 78 9.411 -2.805 -1.366 1.00 0.00 O ATOM 1230 CB VAL A 78 7.202 -2.012 0.398 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.966 -0.756 1.233 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.088 -3.022 0.625 1.00 0.00 C ATOM 0 H VAL A 78 6.383 -3.455 -1.623 1.00 0.00 H new ATOM 0 HA VAL A 78 6.990 -0.621 -1.230 1.00 0.00 H new ATOM 0 HB VAL A 78 8.141 -2.467 0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.886 -1.028 2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.801 -0.068 1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.043 -0.274 0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.025 -3.261 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.140 -2.600 0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.299 -3.930 0.060 1.00 0.00 H new ATOM 1242 N LYS A 79 9.289 -0.680 -2.112 1.00 0.00 N ATOM 1243 CA LYS A 79 10.666 -0.635 -2.590 1.00 0.00 C ATOM 1244 C LYS A 79 11.488 0.387 -1.803 1.00 0.00 C ATOM 1245 O LYS A 79 11.467 1.575 -2.116 1.00 0.00 O ATOM 1246 CB LYS A 79 10.695 -0.282 -4.078 1.00 0.00 C ATOM 1247 CG LYS A 79 10.451 -1.471 -4.994 1.00 0.00 C ATOM 1248 CD LYS A 79 10.552 -1.077 -6.460 1.00 0.00 C ATOM 1249 CE LYS A 79 9.445 -0.114 -6.862 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.536 0.270 -8.297 1.00 0.00 N ATOM 0 H LYS A 79 8.767 0.184 -2.259 1.00 0.00 H new ATOM 0 HA LYS A 79 11.107 -1.621 -2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.940 0.479 -4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.663 0.158 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.177 -2.254 -4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.463 -1.888 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.522 -0.615 -6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.500 -1.971 -7.081 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.476 -0.575 -6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.500 0.781 -6.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.764 0.927 -8.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.450 0.733 -8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.458 -0.581 -8.890 1.00 0.00 H new ATOM 1264 N PRO A 80 12.225 -0.059 -0.769 1.00 0.00 N ATOM 1265 CA PRO A 80 13.046 0.834 0.052 1.00 0.00 C ATOM 1266 C PRO A 80 13.960 1.719 -0.788 1.00 0.00 C ATOM 1267 O PRO A 80 14.944 1.252 -1.361 1.00 0.00 O ATOM 1268 CB PRO A 80 13.869 -0.111 0.936 1.00 0.00 C ATOM 1269 CG PRO A 80 13.620 -1.492 0.419 1.00 0.00 C ATOM 1270 CD PRO A 80 12.312 -1.453 -0.317 1.00 0.00 C ATOM 0 HA PRO A 80 12.429 1.526 0.625 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.929 0.137 0.888 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.569 -0.027 1.980 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.426 -1.808 -0.243 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.581 -2.210 1.238 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.300 -2.150 -1.155 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.477 -1.719 0.331 1.00 0.00 H new ATOM 1278 N ARG A 81 13.619 3.003 -0.856 1.00 0.00 N ATOM 1279 CA ARG A 81 14.398 3.969 -1.624 1.00 0.00 C ATOM 1280 C ARG A 81 15.702 4.316 -0.915 1.00 0.00 C ATOM 1281 O ARG A 81 16.741 4.490 -1.552 1.00 0.00 O ATOM 1282 CB ARG A 81 13.589 5.246 -1.846 1.00 0.00 C ATOM 1283 CG ARG A 81 13.080 5.417 -3.265 1.00 0.00 C ATOM 1284 CD ARG A 81 12.152 6.614 -3.371 1.00 0.00 C ATOM 1285 NE ARG A 81 11.769 6.893 -4.753 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.304 8.067 -5.167 1.00 0.00 C ATOM 1287 NH1 ARG A 81 11.168 9.071 -4.311 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.974 8.240 -6.439 1.00 0.00 N ATOM 0 H ARG A 81 12.805 3.399 -0.386 1.00 0.00 H new ATOM 0 HA ARG A 81 14.634 3.513 -2.585 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.739 5.248 -1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.208 6.105 -1.587 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.923 5.545 -3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.553 4.515 -3.577 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.256 6.431 -2.777 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.642 7.491 -2.947 1.00 0.00 H new ATOM 0 HE ARG A 81 11.864 6.144 -5.439 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.421 8.943 -3.331 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.811 9.971 -4.633 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.077 7.471 -7.102 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.617 9.142 -6.755 1.00 0.00 H new ATOM 1302 N LYS A 82 15.638 4.417 0.408 1.00 0.00 N ATOM 1303 CA LYS A 82 16.806 4.763 1.210 1.00 0.00 C ATOM 1304 C LYS A 82 17.262 3.580 2.056 1.00 0.00 C ATOM 1305 O LYS A 82 16.620 2.529 2.070 1.00 0.00 O ATOM 1306 CB LYS A 82 16.482 5.957 2.112 1.00 0.00 C ATOM 1307 CG LYS A 82 15.908 7.147 1.359 1.00 0.00 C ATOM 1308 CD LYS A 82 15.609 8.308 2.292 1.00 0.00 C ATOM 1309 CE LYS A 82 14.961 9.466 1.549 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.848 10.009 0.484 1.00 0.00 N ATOM 0 H LYS A 82 14.787 4.264 0.949 1.00 0.00 H new ATOM 0 HA LYS A 82 17.618 5.029 0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.771 5.643 2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.389 6.268 2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.613 7.468 0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.994 6.847 0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.949 7.973 3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.533 8.647 2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.023 9.133 1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.715 10.259 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.456 10.904 0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.797 10.177 0.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.912 9.325 -0.297 1.00 0.00 H new ATOM 1324 N ARG A 83 18.377 3.757 2.758 1.00 0.00 N ATOM 1325 CA ARG A 83 18.920 2.707 3.612 1.00 0.00 C ATOM 1326 C ARG A 83 18.813 3.097 5.082 1.00 0.00 C ATOM 1327 O ARG A 83 18.963 4.266 5.437 1.00 0.00 O ATOM 1328 CB ARG A 83 20.380 2.437 3.252 1.00 0.00 C ATOM 1329 CG ARG A 83 20.604 2.190 1.769 1.00 0.00 C ATOM 1330 CD ARG A 83 22.082 2.201 1.422 1.00 0.00 C ATOM 1331 NE ARG A 83 22.312 1.965 -0.001 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.509 2.035 -0.577 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.581 2.333 0.146 1.00 0.00 N ATOM 1334 NH2 ARG A 83 23.635 1.807 -1.877 1.00 0.00 N ATOM 0 H ARG A 83 18.922 4.619 2.752 1.00 0.00 H new ATOM 0 HA ARG A 83 18.338 1.800 3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.986 3.287 3.566 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.730 1.571 3.813 1.00 0.00 H new ATOM 0 HG2 ARG A 83 20.170 1.230 1.489 1.00 0.00 H new ATOM 0 HG3 ARG A 83 20.087 2.955 1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.514 3.161 1.705 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.597 1.437 2.004 1.00 0.00 H new ATOM 0 HE ARG A 83 21.509 1.733 -0.586 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.489 2.509 1.146 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.497 2.386 -0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 83 22.814 1.578 -2.437 1.00 0.00 H new ATOM 0 HH22 ARG A 83 24.553 1.861 -2.318 1.00 0.00 H new ATOM 1348 N GLY A 84 18.553 2.109 5.932 1.00 0.00 N ATOM 1349 CA GLY A 84 18.428 2.367 7.355 1.00 0.00 C ATOM 1350 C GLY A 84 17.175 1.752 7.947 1.00 0.00 C ATOM 1351 O GLY A 84 16.991 0.535 7.898 1.00 0.00 O ATOM 0 H GLY A 84 18.427 1.134 5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.302 1.971 7.871 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.417 3.443 7.527 1.00 0.00 H new ATOM 1355 N HIS A 85 16.310 2.593 8.506 1.00 0.00 N ATOM 1356 CA HIS A 85 15.068 2.123 9.107 1.00 0.00 C ATOM 1357 C HIS A 85 13.865 2.558 8.282 1.00 0.00 C ATOM 1358 O HIS A 85 13.601 3.751 8.123 1.00 0.00 O ATOM 1359 CB HIS A 85 14.935 2.643 10.537 1.00 0.00 C ATOM 1360 CG HIS A 85 13.716 2.142 11.247 1.00 0.00 C ATOM 1361 ND1 HIS A 85 12.567 2.892 11.391 1.00 0.00 N ATOM 1362 CD2 HIS A 85 13.469 0.959 11.859 1.00 0.00 C ATOM 1363 CE1 HIS A 85 11.668 2.192 12.060 1.00 0.00 C ATOM 1364 NE2 HIS A 85 12.191 1.016 12.355 1.00 0.00 N ATOM 0 H HIS A 85 16.447 3.603 8.555 1.00 0.00 H new ATOM 0 HA HIS A 85 15.097 1.034 9.128 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.820 2.353 11.104 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.912 3.733 10.518 1.00 0.00 H new ATOM 0 HD2 HIS A 85 14.151 0.126 11.941 1.00 0.00 H new ATOM 0 HE1 HIS A 85 10.674 2.525 12.321 1.00 0.00 H new ATOM 0 HE2 HIS A 85 11.721 0.271 12.869 1.00 0.00 H new ATOM 1373 N HIS A 86 13.139 1.579 7.761 1.00 0.00 N ATOM 1374 CA HIS A 86 11.957 1.841 6.948 1.00 0.00 C ATOM 1375 C HIS A 86 10.794 0.965 7.400 1.00 0.00 C ATOM 1376 O HIS A 86 10.998 -0.066 8.040 1.00 0.00 O ATOM 1377 CB HIS A 86 12.254 1.578 5.468 1.00 0.00 C ATOM 1378 CG HIS A 86 13.392 2.386 4.925 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.623 2.464 5.540 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.479 3.153 3.813 1.00 0.00 C ATOM 1381 CE1 HIS A 86 15.417 3.244 4.831 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.748 3.675 3.778 1.00 0.00 N ATOM 0 H HIS A 86 13.349 0.589 7.887 1.00 0.00 H new ATOM 0 HA HIS A 86 11.684 2.889 7.075 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.477 0.519 5.335 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.359 1.791 4.884 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.880 1.993 6.407 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.696 3.323 3.089 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.441 3.488 5.072 1.00 0.00 H new ATOM 1391 N THR A 87 9.576 1.378 7.065 1.00 0.00 N ATOM 1392 CA THR A 87 8.388 0.622 7.442 1.00 0.00 C ATOM 1393 C THR A 87 7.198 0.978 6.558 1.00 0.00 C ATOM 1394 O THR A 87 7.012 2.136 6.185 1.00 0.00 O ATOM 1395 CB THR A 87 8.002 0.874 8.908 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.107 0.570 9.769 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.802 0.027 9.297 1.00 0.00 C ATOM 0 H THR A 87 9.386 2.229 6.535 1.00 0.00 H new ATOM 0 HA THR A 87 8.637 -0.431 7.309 1.00 0.00 H new ATOM 0 HB THR A 87 7.740 1.926 9.018 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.946 -0.286 10.217 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.543 0.219 10.338 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.955 0.282 8.660 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.046 -1.028 9.172 1.00 0.00 H new ATOM 1405 N LEU A 88 6.392 -0.027 6.232 1.00 0.00 N ATOM 1406 CA LEU A 88 5.215 0.178 5.401 1.00 0.00 C ATOM 1407 C LEU A 88 3.967 0.271 6.263 1.00 0.00 C ATOM 1408 O LEU A 88 3.344 -0.741 6.588 1.00 0.00 O ATOM 1409 CB LEU A 88 5.061 -0.960 4.397 1.00 0.00 C ATOM 1410 CG LEU A 88 3.746 -0.955 3.613 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.711 0.210 2.641 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.559 -2.273 2.880 1.00 0.00 C ATOM 0 H LEU A 88 6.534 -0.992 6.532 1.00 0.00 H new ATOM 0 HA LEU A 88 5.344 1.114 4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.889 -0.915 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.147 -1.908 4.928 1.00 0.00 H new ATOM 0 HG LEU A 88 2.923 -0.836 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.769 0.198 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.798 1.146 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.541 0.124 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.619 -2.252 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.385 -2.423 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.538 -3.090 3.601 1.00 0.00 H new ATOM 1424 N GLU A 89 3.614 1.489 6.638 1.00 0.00 N ATOM 1425 CA GLU A 89 2.445 1.722 7.463 1.00 0.00 C ATOM 1426 C GLU A 89 1.158 1.516 6.681 1.00 0.00 C ATOM 1427 O GLU A 89 0.737 2.391 5.933 1.00 0.00 O ATOM 1428 CB GLU A 89 2.489 3.136 8.032 1.00 0.00 C ATOM 1429 CG GLU A 89 3.605 3.335 9.034 1.00 0.00 C ATOM 1430 CD GLU A 89 3.706 4.765 9.527 1.00 0.00 C ATOM 1431 OE1 GLU A 89 3.041 5.094 10.531 1.00 0.00 O ATOM 1432 OE2 GLU A 89 4.449 5.555 8.909 1.00 0.00 O ATOM 0 H GLU A 89 4.124 2.334 6.382 1.00 0.00 H new ATOM 0 HA GLU A 89 2.458 0.998 8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.611 3.847 7.215 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.535 3.359 8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.445 2.673 9.885 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.552 3.045 8.578 1.00 0.00 H new ATOM 1439 N LEU A 90 0.549 0.348 6.845 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.713 0.042 6.178 1.00 0.00 C ATOM 1441 C LEU A 90 -1.818 -0.099 7.214 1.00 0.00 C ATOM 1442 O LEU A 90 -1.675 -0.836 8.190 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.611 -1.233 5.336 1.00 0.00 C ATOM 1444 CG LEU A 90 0.139 -1.085 4.009 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.151 -2.407 3.258 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.488 0.006 3.154 1.00 0.00 C ATOM 0 H LEU A 90 0.908 -0.404 7.434 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.948 0.864 5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.116 -2.002 5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.619 -1.591 5.126 1.00 0.00 H new ATOM 0 HG LEU A 90 1.168 -0.798 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.688 -2.286 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.647 -3.165 3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.873 -2.719 3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.061 0.094 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.527 -0.248 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.448 0.955 3.688 1.00 0.00 H new ATOM 1458 N VAL A 91 -2.917 0.610 6.999 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.032 0.581 7.932 1.00 0.00 C ATOM 1460 C VAL A 91 -5.372 0.428 7.211 1.00 0.00 C ATOM 1461 O VAL A 91 -5.494 0.728 6.017 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.061 1.875 8.771 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.247 3.087 7.867 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.148 1.815 9.836 1.00 0.00 C ATOM 0 H VAL A 91 -3.059 1.211 6.188 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.886 -0.283 8.580 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.104 1.972 9.284 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.266 3.993 8.473 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.421 3.142 7.157 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.187 2.995 7.323 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.145 2.741 10.412 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.119 1.689 9.358 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.959 0.973 10.502 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.370 -0.052 7.952 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.716 -0.230 7.425 1.00 0.00 C ATOM 1476 C TYR A 92 -8.567 0.980 7.815 1.00 0.00 C ATOM 1477 O TYR A 92 -9.306 0.936 8.796 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.328 -1.521 7.985 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.365 -2.173 7.091 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.242 -2.146 5.706 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.462 -2.827 7.638 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.184 -2.752 4.894 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.405 -3.436 6.834 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.263 -3.395 5.463 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.201 -4.000 4.658 1.00 0.00 O ATOM 0 H TYR A 92 -6.266 -0.326 8.929 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.682 -0.310 6.338 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.526 -2.236 8.169 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.787 -1.301 8.949 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.398 -1.644 5.257 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.579 -2.860 8.711 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.075 -2.722 3.820 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.250 -3.942 7.277 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.973 -3.406 4.551 1.00 0.00 H new ATOM 1495 N THR A 93 -8.450 2.055 7.039 1.00 0.00 N ATOM 1496 CA THR A 93 -9.165 3.303 7.327 1.00 0.00 C ATOM 1497 C THR A 93 -10.401 3.496 6.450 1.00 0.00 C ATOM 1498 O THR A 93 -10.684 2.692 5.573 1.00 0.00 O ATOM 1499 CB THR A 93 -8.232 4.510 7.129 1.00 0.00 C ATOM 1500 OG1 THR A 93 -8.973 5.731 7.229 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.543 4.435 5.775 1.00 0.00 C ATOM 0 H THR A 93 -7.866 2.090 6.203 1.00 0.00 H new ATOM 0 HA THR A 93 -9.494 3.234 8.364 1.00 0.00 H new ATOM 0 HB THR A 93 -7.473 4.489 7.911 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.510 5.855 6.419 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.887 5.297 5.652 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.954 3.520 5.717 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.293 4.435 4.984 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.134 4.582 6.700 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.336 4.897 5.933 1.00 0.00 C ATOM 1511 C ARG A 94 -12.115 6.121 5.046 1.00 0.00 C ATOM 1512 O ARG A 94 -12.278 7.255 5.496 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.514 5.161 6.871 1.00 0.00 C ATOM 1514 CG ARG A 94 -13.809 4.014 7.822 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.017 4.310 8.697 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.234 4.486 7.909 1.00 0.00 N ATOM 1517 CZ ARG A 94 -17.453 4.540 8.438 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -17.616 4.436 9.750 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.510 4.701 7.654 1.00 0.00 N ATOM 0 H ARG A 94 -10.914 5.259 7.430 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.560 4.038 5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.309 6.060 7.453 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.403 5.364 6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.987 3.103 7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.939 3.830 8.452 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.159 3.495 9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -14.830 5.211 9.281 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.144 4.572 6.897 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.805 4.314 10.357 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -18.552 4.478 10.152 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.388 4.783 6.645 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.445 4.742 8.060 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.727 5.913 3.774 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.497 7.013 2.829 1.00 0.00 C ATOM 1535 C PRO A 95 -12.666 7.988 2.776 1.00 0.00 C ATOM 1536 O PRO A 95 -12.489 9.175 2.502 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.340 6.293 1.490 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.808 4.952 1.856 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.464 4.597 3.161 1.00 0.00 C ATOM 0 HA PRO A 95 -10.637 7.621 3.109 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.293 6.214 0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.656 6.826 0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.041 4.215 1.087 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.723 4.975 1.957 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.384 4.032 3.009 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.814 3.985 3.785 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.863 7.476 3.041 1.00 0.00 N ATOM 1548 CA PHE A 96 -15.066 8.281 3.027 1.00 0.00 C ATOM 1549 C PHE A 96 -15.218 9.081 4.319 1.00 0.00 C ATOM 1550 O PHE A 96 -15.774 10.179 4.316 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.270 7.369 2.829 1.00 0.00 C ATOM 1552 CG PHE A 96 -16.284 6.672 1.498 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.526 5.530 1.292 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -17.053 7.158 0.454 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.536 4.886 0.070 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -17.067 6.518 -0.771 1.00 0.00 C ATOM 1557 CZ PHE A 96 -16.307 5.381 -0.964 1.00 0.00 C ATOM 0 H PHE A 96 -14.020 6.495 3.270 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.999 8.995 2.206 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.283 6.621 3.622 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -17.182 7.957 2.931 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.920 5.139 2.096 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.649 8.047 0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.942 3.996 -0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -17.672 6.907 -1.577 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.315 4.880 -1.921 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.721 8.526 5.422 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.814 9.190 6.720 1.00 0.00 C ATOM 1569 C GLU A 97 -13.434 9.579 7.246 1.00 0.00 C ATOM 1570 O GLU A 97 -13.036 10.742 7.179 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.512 8.279 7.735 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.838 7.724 7.244 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.849 8.811 6.934 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.578 9.225 7.859 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -17.910 9.249 5.765 1.00 0.00 O ATOM 0 H GLU A 97 -14.251 7.621 5.443 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.400 10.099 6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.850 7.449 7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.680 8.837 8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.668 7.126 6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.250 7.056 8.000 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.713 8.593 7.768 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.390 8.838 8.315 1.00 0.00 C ATOM 1584 C GLY A 98 -10.816 7.611 8.976 1.00 0.00 C ATOM 1585 O GLY A 98 -11.400 6.530 8.917 1.00 0.00 O ATOM 0 H GLY A 98 -13.023 7.623 7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.723 9.166 7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.442 9.650 9.041 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.669 7.781 9.608 1.00 0.00 N ATOM 1590 CA ILE A 99 -9.001 6.683 10.277 1.00 0.00 C ATOM 1591 C ILE A 99 -9.396 6.617 11.747 1.00 0.00 C ATOM 1592 O ILE A 99 -9.697 7.637 12.366 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.478 6.822 10.158 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.104 7.367 8.777 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.812 5.476 10.405 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.728 7.993 8.727 1.00 0.00 C ATOM 0 H ILE A 99 -9.180 8.674 9.671 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.314 5.760 9.789 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.124 7.526 10.911 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.152 6.556 8.050 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.843 8.109 8.476 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.731 5.584 10.319 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.063 5.124 11.406 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.165 4.755 9.668 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.530 8.357 7.719 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.681 8.825 9.429 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.979 7.248 8.997 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.392 5.409 12.300 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.765 5.205 13.694 1.00 0.00 C ATOM 1610 C LYS A 100 -8.838 4.192 14.366 1.00 0.00 C ATOM 1611 O LYS A 100 -8.066 3.508 13.695 1.00 0.00 O ATOM 1612 CB LYS A 100 -11.219 4.731 13.776 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.924 4.692 12.427 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.419 4.458 12.576 1.00 0.00 C ATOM 1615 CE LYS A 100 -14.174 5.767 12.756 1.00 0.00 C ATOM 1616 NZ LYS A 100 -15.623 5.542 13.011 1.00 0.00 N ATOM 0 H LYS A 100 -9.134 4.556 11.803 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.666 6.153 14.222 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.243 3.735 14.218 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.770 5.391 14.446 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.754 5.632 11.901 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.492 3.901 11.814 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.796 3.937 11.696 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.603 3.810 13.433 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.741 6.324 13.587 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.054 6.381 11.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.101 6.458 13.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.042 5.033 12.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.740 4.978 13.877 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.907 4.087 15.705 1.00 0.00 N ATOM 1631 CA PRO A 101 -8.069 3.162 16.469 1.00 0.00 C ATOM 1632 C PRO A 101 -8.587 1.733 16.406 1.00 0.00 C ATOM 1633 O PRO A 101 -7.822 0.773 16.518 1.00 0.00 O ATOM 1634 CB PRO A 101 -8.163 3.705 17.891 1.00 0.00 C ATOM 1635 CG PRO A 101 -9.502 4.357 17.961 1.00 0.00 C ATOM 1636 CD PRO A 101 -9.812 4.857 16.578 1.00 0.00 C ATOM 0 HA PRO A 101 -7.051 3.111 16.084 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.073 2.906 18.627 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.364 4.418 18.096 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.260 3.649 18.295 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.495 5.179 18.677 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.857 4.687 16.318 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.632 5.929 16.492 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.895 1.601 16.227 1.00 0.00 N ATOM 1645 CA GLU A 102 -10.531 0.291 16.140 1.00 0.00 C ATOM 1646 C GLU A 102 -10.322 -0.319 14.757 1.00 0.00 C ATOM 1647 O GLU A 102 -10.947 -1.318 14.405 1.00 0.00 O ATOM 1648 CB GLU A 102 -12.021 0.410 16.432 1.00 0.00 C ATOM 1649 CG GLU A 102 -12.716 1.384 15.510 1.00 0.00 C ATOM 1650 CD GLU A 102 -14.206 1.486 15.773 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.971 0.713 15.158 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -14.606 2.336 16.595 1.00 0.00 O ATOM 0 H GLU A 102 -10.539 2.387 16.139 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.072 -0.362 16.882 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -12.486 -0.571 16.336 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.161 0.729 17.465 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.264 2.369 15.623 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.555 1.076 14.477 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.433 0.294 13.984 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.137 -0.167 12.633 1.00 0.00 C ATOM 1661 C ASN A 103 -7.945 -1.120 12.620 1.00 0.00 C ATOM 1662 O ASN A 103 -7.048 -1.019 13.457 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.856 1.037 11.735 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.100 1.863 11.459 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -11.108 1.730 12.316 1.00 0.00 O flip ATOM 1666 ND2 ASN A 103 -10.158 2.610 10.483 1.00 0.00 N flip ATOM 0 H ASN A 103 -8.902 1.116 14.272 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.003 -0.712 12.257 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.102 1.668 12.205 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.437 0.691 10.790 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.362 2.684 9.849 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.002 3.156 10.308 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.946 -2.046 11.665 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.877 -3.016 11.534 1.00 0.00 C ATOM 1675 C GLU A 104 -5.545 -2.338 11.234 1.00 0.00 C ATOM 1676 O GLU A 104 -5.501 -1.174 10.834 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.219 -4.011 10.434 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.675 -5.355 10.968 1.00 0.00 C ATOM 1679 CD GLU A 104 -9.083 -5.314 11.528 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -9.233 -5.031 12.736 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -10.035 -5.563 10.761 1.00 0.00 O ATOM 0 H GLU A 104 -8.685 -2.140 10.968 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.776 -3.543 12.483 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.004 -3.592 9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.345 -4.157 9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.628 -6.094 10.168 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.988 -5.684 11.747 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.462 -3.084 11.423 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.118 -2.569 11.189 1.00 0.00 C ATOM 1690 C ARG A 105 -2.312 -3.539 10.329 1.00 0.00 C ATOM 1691 O ARG A 105 -2.708 -4.688 10.141 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.407 -2.358 12.536 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.018 -1.747 12.425 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.086 -0.233 12.483 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.565 0.231 13.780 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.643 1.514 14.123 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.275 2.457 13.265 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -2.090 1.854 15.324 1.00 0.00 N ATOM 0 H ARG A 105 -4.490 -4.053 11.740 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.195 -1.619 10.661 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.025 -1.714 13.162 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.329 -3.318 13.046 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.388 -2.118 13.233 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.553 -2.058 11.490 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.098 0.184 12.288 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.747 0.133 11.698 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.857 -0.468 14.463 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.931 2.199 12.340 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.336 3.440 13.531 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.374 1.132 15.986 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.150 2.838 15.586 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.206 -3.050 9.777 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.304 -3.865 8.972 1.00 0.00 C ATOM 1714 C TYR A 106 0.931 -3.049 8.605 1.00 0.00 C ATOM 1715 O TYR A 106 1.067 -2.561 7.484 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.006 -4.402 7.723 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.160 -5.355 6.908 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.080 -6.700 7.243 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.557 -4.909 5.804 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.690 -7.575 6.502 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.330 -5.779 5.059 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.393 -7.111 5.411 1.00 0.00 C ATOM 1723 OH TYR A 106 2.161 -7.980 4.671 1.00 0.00 O ATOM 0 H TYR A 106 -0.910 -2.079 9.875 1.00 0.00 H new ATOM 0 HA TYR A 106 0.007 -4.729 9.559 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.922 -4.910 8.023 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.299 -3.562 7.093 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.629 -7.068 8.097 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.509 -3.867 5.524 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.741 -8.618 6.776 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.883 -5.417 4.204 1.00 0.00 H new ATOM 0 HH TYR A 106 1.767 -8.877 4.707 1.00 0.00 H new ATOM 1733 N THR A 107 1.822 -2.891 9.578 1.00 0.00 N ATOM 1734 CA THR A 107 3.043 -2.124 9.390 1.00 0.00 C ATOM 1735 C THR A 107 4.218 -3.028 9.029 1.00 0.00 C ATOM 1736 O THR A 107 4.943 -3.494 9.907 1.00 0.00 O ATOM 1737 CB THR A 107 3.394 -1.337 10.665 1.00 0.00 C ATOM 1738 OG1 THR A 107 2.365 -1.510 11.646 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.563 0.144 10.363 1.00 0.00 C ATOM 0 H THR A 107 1.718 -3.289 10.511 1.00 0.00 H new ATOM 0 HA THR A 107 2.862 -1.431 8.568 1.00 0.00 H new ATOM 0 HB THR A 107 4.337 -1.723 11.051 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.596 -1.008 12.455 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.811 0.677 11.281 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.366 0.278 9.638 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.634 0.540 9.953 1.00 0.00 H new ATOM 1747 N LEU A 108 4.405 -3.275 7.737 1.00 0.00 N ATOM 1748 CA LEU A 108 5.502 -4.123 7.289 1.00 0.00 C ATOM 1749 C LEU A 108 6.840 -3.446 7.552 1.00 0.00 C ATOM 1750 O LEU A 108 7.352 -2.704 6.714 1.00 0.00 O ATOM 1751 CB LEU A 108 5.365 -4.462 5.804 1.00 0.00 C ATOM 1752 CG LEU A 108 6.572 -5.178 5.187 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.943 -6.409 6.001 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.285 -5.558 3.744 1.00 0.00 C ATOM 0 H LEU A 108 3.818 -2.905 6.989 1.00 0.00 H new ATOM 0 HA LEU A 108 5.460 -5.053 7.856 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.483 -5.088 5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.188 -3.539 5.251 1.00 0.00 H new ATOM 0 HG LEU A 108 7.420 -4.493 5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.802 -6.901 5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.194 -6.110 7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.099 -7.098 6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.153 -6.065 3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.422 -6.223 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.074 -4.658 3.166 1.00 0.00 H new ATOM 1766 N HIS A 109 7.397 -3.707 8.728 1.00 0.00 N ATOM 1767 CA HIS A 109 8.676 -3.127 9.110 1.00 0.00 C ATOM 1768 C HIS A 109 9.815 -3.790 8.349 1.00 0.00 C ATOM 1769 O HIS A 109 9.893 -5.016 8.260 1.00 0.00 O ATOM 1770 CB HIS A 109 8.889 -3.253 10.610 1.00 0.00 C ATOM 1771 CG HIS A 109 8.187 -2.201 11.410 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.810 -1.056 11.859 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.905 -2.121 11.838 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.943 -0.318 12.529 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.780 -0.941 12.529 1.00 0.00 N ATOM 0 H HIS A 109 6.982 -4.317 9.433 1.00 0.00 H new ATOM 0 HA HIS A 109 8.665 -2.068 8.851 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.544 -4.234 10.935 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.957 -3.205 10.821 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.126 -2.849 11.668 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.151 0.633 12.997 1.00 0.00 H new ATOM 0 HE2 HIS A 109 5.926 -0.601 12.971 1.00 0.00 H new ATOM 1784 N LEU A 110 10.705 -2.963 7.828 1.00 0.00 N ATOM 1785 CA LEU A 110 11.834 -3.431 7.038 1.00 0.00 C ATOM 1786 C LEU A 110 13.092 -2.623 7.338 1.00 0.00 C ATOM 1787 O LEU A 110 13.238 -1.492 6.871 1.00 0.00 O ATOM 1788 CB LEU A 110 11.508 -3.323 5.547 1.00 0.00 C ATOM 1789 CG LEU A 110 10.378 -4.227 5.048 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.118 -3.978 3.570 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.710 -5.692 5.291 1.00 0.00 C ATOM 0 H LEU A 110 10.667 -1.950 7.940 1.00 0.00 H new ATOM 0 HA LEU A 110 12.019 -4.472 7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.246 -2.289 5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.410 -3.552 4.979 1.00 0.00 H new ATOM 0 HG LEU A 110 9.474 -3.987 5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.312 -4.627 3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.833 -2.937 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.023 -4.191 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.893 -6.315 4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.626 -5.950 4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.849 -5.861 6.359 1.00 0.00 H new ATOM 1803 N ASN A 111 13.997 -3.199 8.121 1.00 0.00 N ATOM 1804 CA ASN A 111 15.244 -2.528 8.457 1.00 0.00 C ATOM 1805 C ASN A 111 16.219 -2.640 7.293 1.00 0.00 C ATOM 1806 O ASN A 111 17.044 -3.553 7.243 1.00 0.00 O ATOM 1807 CB ASN A 111 15.859 -3.128 9.722 1.00 0.00 C ATOM 1808 CG ASN A 111 17.106 -2.389 10.166 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.036 -1.450 10.959 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.257 -2.806 9.652 1.00 0.00 N ATOM 0 H ASN A 111 13.890 -4.126 8.533 1.00 0.00 H new ATOM 0 HA ASN A 111 15.033 -1.476 8.648 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.123 -3.108 10.525 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.105 -4.174 9.542 1.00 0.00 H new ATOM 0 HD21 ASN A 111 19.129 -2.344 9.911 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.270 -3.588 8.998 1.00 0.00 H new ATOM 1817 N VAL A 112 16.105 -1.712 6.351 1.00 0.00 N ATOM 1818 CA VAL A 112 16.957 -1.705 5.169 1.00 0.00 C ATOM 1819 C VAL A 112 18.434 -1.704 5.551 1.00 0.00 C ATOM 1820 O VAL A 112 18.940 -0.730 6.109 1.00 0.00 O ATOM 1821 CB VAL A 112 16.664 -0.482 4.279 1.00 0.00 C ATOM 1822 CG1 VAL A 112 17.386 -0.599 2.946 1.00 0.00 C ATOM 1823 CG2 VAL A 112 15.167 -0.319 4.069 1.00 0.00 C ATOM 0 H VAL A 112 15.427 -0.951 6.384 1.00 0.00 H new ATOM 0 HA VAL A 112 16.734 -2.615 4.611 1.00 0.00 H new ATOM 0 HB VAL A 112 17.036 0.407 4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 112 17.164 0.275 2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 112 18.461 -0.658 3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 112 17.051 -1.498 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.981 0.550 3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.768 -1.211 3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.677 -0.179 5.033 1.00 0.00 H new ATOM 1833 N LYS A 113 19.119 -2.802 5.249 1.00 0.00 N ATOM 1834 CA LYS A 113 20.535 -2.930 5.556 1.00 0.00 C ATOM 1835 C LYS A 113 21.387 -2.202 4.521 1.00 0.00 C ATOM 1836 O LYS A 113 21.734 -2.825 3.496 1.00 0.00 O ATOM 1837 CB LYS A 113 20.924 -4.408 5.609 1.00 0.00 C ATOM 1838 CG LYS A 113 20.283 -5.168 6.761 1.00 0.00 C ATOM 1839 CD LYS A 113 20.752 -4.649 8.112 1.00 0.00 C ATOM 1840 CE LYS A 113 22.236 -4.904 8.330 1.00 0.00 C ATOM 1841 NZ LYS A 113 22.700 -4.391 9.648 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.698 -1.013 4.743 1.00 0.00 O ATOM 0 H LYS A 113 18.713 -3.617 4.790 1.00 0.00 H new ATOM 0 HA LYS A 113 20.718 -2.473 6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.641 -4.883 4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.008 -4.487 5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.199 -5.081 6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.523 -6.228 6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 113 20.553 -3.579 8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 113 20.180 -5.130 8.905 1.00 0.00 H new ATOM 0 HE2 LYS A 113 22.433 -5.974 8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 113 22.807 -4.427 7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 23.716 -4.584 9.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 22.535 -3.365 9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 22.173 -4.864 10.410 1.00 0.00 H new TER 1856 LYS A 113