USER MOD reduce.3.24.130724 H: found=0, std=0, add=1514, rem=0, adj=76 USER MOD reduce.3.24.130724 removed 1502 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 58 SER OG : rot 180:sc= 0.103 USER MOD Set 1.2: B 61 LYS NZ :NH3+ 160:sc= 1.21 (180deg=0.355) USER MOD Set 2.1: B 39 LYS NZ :NH3+ -134:sc= 0.725 (180deg=-1.04!) USER MOD Set 2.2: B 43 CYS SG : rot 180:sc= -0.837 USER MOD Set 3.1: B 15 THR OG1 : rot 98:sc= 1.11 USER MOD Set 3.2: B 18 LYS NZ :NH3+ -159:sc=-0.00978 (180deg=-0.497) USER MOD Set 4.1: B 10 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: B 14 THR OG1 : rot 82:sc= 0.642 USER MOD Set 5.1: A 80 CYS SG : rot -47:sc= 1.51 USER MOD Set 5.2: A 84 ASN : amide:sc= 0.942 K(o=2.5,f=1.6) USER MOD Set 6.1: A 77 THR OG1 : rot 77:sc= 2.21 USER MOD Set 6.2: B 73 SER OG : rot 153:sc= 1.2 USER MOD Set 7.1: A 73 SER OG : rot -83:sc= 0.39 USER MOD Set 7.2: B 77 THR OG1 : rot 84:sc= 0.579 USER MOD Set 8.1: A 58 SER OG : rot 81:sc= 1.05 USER MOD Set 8.2: A 61 LYS NZ :NH3+ -169:sc= 0.842 (180deg=0.545) USER MOD Set 9.1: A 32 LYS NZ :NH3+ -179:sc= 0.253! (180deg=-0.687!) USER MOD Set 9.2: A 63 SER OG : rot -72:sc= 1.93 USER MOD Set10.1: A 7 LYS NZ :NH3+ 159:sc= 0.947 (180deg=0.935) USER MOD Set10.2: A 10 THR OG1 : rot -74:sc= 0.883 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 1.88 (180deg=-0.644) USER MOD Single : A 3 THR OG1 : rot 158:sc= 1.84 USER MOD Single : A 11 THR OG1 : rot 70:sc= 1.3 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 15 THR OG1 : rot 88:sc= 1.06 USER MOD Single : A 17 HIS : no HE2:sc= -0.682 K(o=-0.68,f=-3.1!) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0111) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -101:sc= 0.922 USER MOD Single : A 25 SER OG : rot -173:sc= 1.16 USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= 2.26 (180deg=1.52) USER MOD Single : A 28 THR OG1 : rot 127:sc= 0.916 USER MOD Single : A 30 SER OG : rot 180:sc= 0.133 USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= 1.23 (180deg=0.956) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0.574 (180deg=0.266) USER MOD Single : A 40 LYS NZ :NH3+ 160:sc= 1.25 (180deg=0.948) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -149:sc= -1.68 (180deg=-5.08!) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= 1.03 (180deg=0.668) USER MOD Single : A 50 SER OG : rot 64:sc= 1.23 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 158:sc= -0.438 (180deg=-1.09) USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= 0.585 (180deg=0.418) USER MOD Single : A 62 ASN : amide:sc= 0.174 K(o=0.17,f=-0.48) USER MOD Single : A 65 GLN : amide:sc= 0.722 K(o=0.72,f=-0.02) USER MOD Single : A 70 LYS NZ :NH3+ -124:sc= 0.57 (180deg=-0.0144) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -156:sc= 0 (180deg=-0.408) USER MOD Single : A 81 MET CE :methyl -177:sc= 0 (180deg=-0.00355) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.93 K(o=0.93,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -145:sc= -0.114! (180deg=-0.862!) USER MOD Single : B 1 MET CE :methyl 159:sc= 0 (180deg=-0.139) USER MOD Single : B 1 MET N :NH3+ -150:sc= 2.32 (180deg=0.268) USER MOD Single : B 3 THR OG1 : rot 127:sc= 1.29 USER MOD Single : B 7 LYS NZ :NH3+ -168:sc= 0.664! (180deg=-0.06!) USER MOD Single : B 11 THR OG1 : rot 81:sc= 1.07 USER MOD Single : B 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 17 HIS : no HE2:sc= -1.15 X(o=-1.1,f=-1.2) USER MOD Single : B 19 TYR OH : rot 30:sc= 0 USER MOD Single : B 20 SER OG : rot 106:sc= 0.617 USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 26 LYS NZ :NH3+ -160:sc= 1.01 (180deg=0.46) USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot -64:sc= 0.821 USER MOD Single : B 32 LYS NZ :NH3+ -131:sc= 0.892 (180deg=-1.07!) USER MOD Single : B 35 LYS NZ :NH3+ -157:sc= 1.23 (180deg=-0.00238) USER MOD Single : B 40 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.19) USER MOD Single : B 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 169:sc= 0.987 (180deg=0.893) USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 56 MET CE :methyl -167:sc= -0.513 (180deg=-0.776) USER MOD Single : B 57 LYS NZ :NH3+ -168:sc= 1.88 (180deg=1.11) USER MOD Single : B 62 ASN : amide:sc= 0.438 X(o=0.44,f=0) USER MOD Single : B 63 SER OG : rot -32:sc= 1.22 USER MOD Single : B 65 GLN : amide:sc= 0.77 K(o=0.77,f=-0.073) USER MOD Single : B 70 LYS NZ :NH3+ -179:sc= 0.957 (180deg=0.908) USER MOD Single : B 72 TYR OH : rot -23:sc= 1.26 USER MOD Single : B 78 MET CE :methyl 154:sc= 0 (180deg=-0.229) USER MOD Single : B 80 CYS SG : rot -30:sc=-0.00327 USER MOD Single : B 81 MET CE :methyl -174:sc= -0.263 (180deg=-0.363) USER MOD Single : B 83 TYR OH : rot 180:sc= 0 USER MOD Single : B 84 ASN : amide:sc= 0.5 K(o=0.5,f=-1.6) USER MOD Single : B 91 ASN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : B 92 LYS NZ :NH3+ -161:sc= 3.26 (180deg=1.91) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.244 1.680 21.261 1.00 4.97 N ATOM 2 CA MET A 1 9.668 1.690 21.660 1.00 3.73 C ATOM 3 C MET A 1 9.829 3.062 22.261 1.00 2.56 C ATOM 4 O MET A 1 9.253 3.280 23.318 1.00 3.51 O ATOM 5 CB MET A 1 10.584 1.380 20.459 1.00 4.37 C ATOM 6 CG MET A 1 12.077 1.365 20.797 1.00 5.21 C ATOM 7 SD MET A 1 13.092 1.148 19.310 1.00 6.55 S ATOM 8 CE MET A 1 14.268 -0.100 19.900 1.00 8.18 C ATOM 0 H1 MET A 1 8.131 1.120 20.392 1.00 4.97 H new ATOM 0 H2 MET A 1 7.673 1.258 22.021 1.00 4.97 H new ATOM 0 H3 MET A 1 7.925 2.655 21.089 1.00 4.97 H new ATOM 0 HA MET A 1 9.956 0.918 22.374 1.00 3.73 H new ATOM 0 HB2 MET A 1 10.307 0.410 20.045 1.00 4.37 H new ATOM 0 HB3 MET A 1 10.407 2.121 19.680 1.00 4.37 H new ATOM 0 HG2 MET A 1 12.349 2.298 21.291 1.00 5.21 H new ATOM 0 HG3 MET A 1 12.284 0.559 21.501 1.00 5.21 H new ATOM 0 HE1 MET A 1 14.968 -0.347 19.101 1.00 8.18 H new ATOM 0 HE2 MET A 1 14.818 0.293 20.755 1.00 8.18 H new ATOM 0 HE3 MET A 1 13.727 -0.998 20.199 1.00 8.18 H new ATOM 17 N GLU A 2 10.293 4.000 21.446 1.00 1.73 N ATOM 18 CA GLU A 2 9.745 5.340 21.369 1.00 1.98 C ATOM 19 C GLU A 2 8.323 5.272 20.738 1.00 1.06 C ATOM 20 O GLU A 2 7.441 4.569 21.239 1.00 1.92 O ATOM 21 CB GLU A 2 10.740 6.276 20.639 1.00 3.82 C ATOM 22 CG GLU A 2 12.231 6.084 20.979 1.00 5.02 C ATOM 23 CD GLU A 2 12.478 5.814 22.463 1.00 5.63 C ATOM 24 OE1 GLU A 2 12.213 6.741 23.255 1.00 6.79 O ATOM 25 OE2 GLU A 2 12.855 4.658 22.759 1.00 5.71 O ATOM 0 H GLU A 2 11.075 3.844 20.810 1.00 1.73 H new ATOM 0 HA GLU A 2 9.616 5.777 22.359 1.00 1.98 H new ATOM 0 HB2 GLU A 2 10.613 6.140 19.565 1.00 3.82 H new ATOM 0 HB3 GLU A 2 10.468 7.307 20.864 1.00 3.82 H new ATOM 0 HG2 GLU A 2 12.627 5.254 20.394 1.00 5.02 H new ATOM 0 HG3 GLU A 2 12.783 6.975 20.681 1.00 5.02 H new ATOM 32 N THR A 3 8.093 5.949 19.610 1.00 0.85 N ATOM 33 CA THR A 3 6.911 6.766 19.329 1.00 0.86 C ATOM 34 C THR A 3 5.716 5.987 18.756 1.00 0.95 C ATOM 35 O THR A 3 5.868 4.881 18.234 1.00 0.95 O ATOM 36 CB THR A 3 7.345 7.898 18.372 1.00 1.30 C ATOM 37 OG1 THR A 3 7.621 7.322 17.123 1.00 1.34 O ATOM 38 CG2 THR A 3 8.593 8.662 18.840 1.00 1.72 C ATOM 0 H THR A 3 8.755 5.942 18.834 1.00 0.85 H new ATOM 0 HA THR A 3 6.543 7.159 20.277 1.00 0.86 H new ATOM 0 HB THR A 3 6.530 8.621 18.334 1.00 1.30 H new ATOM 0 HG1 THR A 3 7.550 8.006 16.425 1.00 1.34 H new ATOM 0 HG21 THR A 3 8.836 9.440 18.117 1.00 1.72 H new ATOM 0 HG22 THR A 3 8.398 9.117 19.811 1.00 1.72 H new ATOM 0 HG23 THR A 3 9.432 7.971 18.925 1.00 1.72 H new ATOM 46 N PRO A 4 4.504 6.578 18.752 1.00 1.27 N ATOM 47 CA PRO A 4 3.363 6.001 18.047 1.00 1.42 C ATOM 48 C PRO A 4 3.605 5.897 16.531 1.00 1.30 C ATOM 49 O PRO A 4 3.063 4.991 15.908 1.00 1.29 O ATOM 50 CB PRO A 4 2.158 6.879 18.400 1.00 1.80 C ATOM 51 CG PRO A 4 2.771 8.206 18.845 1.00 1.87 C ATOM 52 CD PRO A 4 4.117 7.796 19.446 1.00 1.60 C ATOM 0 HA PRO A 4 3.189 4.971 18.358 1.00 1.42 H new ATOM 0 HB2 PRO A 4 1.500 7.014 17.542 1.00 1.80 H new ATOM 0 HB3 PRO A 4 1.560 6.432 19.194 1.00 1.80 H new ATOM 0 HG2 PRO A 4 2.898 8.890 18.006 1.00 1.87 H new ATOM 0 HG3 PRO A 4 2.142 8.713 19.577 1.00 1.87 H new ATOM 0 HD2 PRO A 4 4.862 8.579 19.307 1.00 1.60 H new ATOM 0 HD3 PRO A 4 4.031 7.625 20.519 1.00 1.60 H new ATOM 60 N LEU A 5 4.453 6.758 15.943 1.00 1.24 N ATOM 61 CA LEU A 5 4.803 6.693 14.522 1.00 1.13 C ATOM 62 C LEU A 5 5.898 5.655 14.206 1.00 0.87 C ATOM 63 O LEU A 5 5.799 5.030 13.149 1.00 0.85 O ATOM 64 CB LEU A 5 5.071 8.110 13.970 1.00 1.33 C ATOM 65 CG LEU A 5 4.555 8.296 12.519 1.00 1.90 C ATOM 66 CD1 LEU A 5 4.093 9.741 12.303 1.00 2.47 C ATOM 67 CD2 LEU A 5 5.581 7.905 11.449 1.00 2.37 C ATOM 0 H LEU A 5 4.913 7.518 16.444 1.00 1.24 H new ATOM 0 HA LEU A 5 3.941 6.307 13.977 1.00 1.13 H new ATOM 0 HB2 LEU A 5 4.592 8.844 14.618 1.00 1.33 H new ATOM 0 HB3 LEU A 5 6.142 8.310 13.999 1.00 1.33 H new ATOM 0 HG LEU A 5 3.713 7.613 12.403 1.00 1.90 H new ATOM 0 HD11 LEU A 5 3.733 9.859 11.281 1.00 2.47 H new ATOM 0 HD12 LEU A 5 3.288 9.974 13.000 1.00 2.47 H new ATOM 0 HD13 LEU A 5 4.929 10.420 12.474 1.00 2.47 H new ATOM 0 HD21 LEU A 5 5.152 8.061 10.459 1.00 2.37 H new ATOM 0 HD22 LEU A 5 6.474 8.521 11.559 1.00 2.37 H new ATOM 0 HD23 LEU A 5 5.848 6.855 11.567 1.00 2.37 H new ATOM 79 N GLU A 6 6.805 5.304 15.136 1.00 0.89 N ATOM 80 CA GLU A 6 7.519 4.022 14.984 1.00 0.94 C ATOM 81 C GLU A 6 6.529 2.866 14.913 1.00 0.94 C ATOM 82 O GLU A 6 6.739 1.931 14.136 1.00 1.00 O ATOM 83 CB GLU A 6 8.693 3.779 15.962 1.00 1.08 C ATOM 84 CG GLU A 6 8.570 3.153 17.374 1.00 1.88 C ATOM 85 CD GLU A 6 8.268 1.646 17.495 1.00 3.05 C ATOM 86 OE1 GLU A 6 8.082 0.932 16.493 1.00 3.57 O ATOM 87 OE2 GLU A 6 8.103 1.159 18.647 1.00 4.42 O ATOM 0 H GLU A 6 7.052 5.855 15.958 1.00 0.89 H new ATOM 0 HA GLU A 6 8.039 4.087 14.028 1.00 0.94 H new ATOM 0 HB2 GLU A 6 9.406 3.156 15.422 1.00 1.08 H new ATOM 0 HB3 GLU A 6 9.165 4.751 16.108 1.00 1.08 H new ATOM 0 HG2 GLU A 6 9.503 3.346 17.903 1.00 1.88 H new ATOM 0 HG3 GLU A 6 7.785 3.691 17.906 1.00 1.88 H new ATOM 94 N LYS A 7 5.379 2.964 15.600 1.00 0.91 N ATOM 95 CA LYS A 7 4.374 1.902 15.437 1.00 0.99 C ATOM 96 C LYS A 7 3.783 1.852 14.030 1.00 0.89 C ATOM 97 O LYS A 7 3.428 0.761 13.581 1.00 1.00 O ATOM 98 CB LYS A 7 3.278 1.786 16.505 1.00 1.33 C ATOM 99 CG LYS A 7 3.701 1.881 17.981 1.00 1.41 C ATOM 100 CD LYS A 7 4.992 1.133 18.305 1.00 2.19 C ATOM 101 CE LYS A 7 5.000 -0.358 17.927 1.00 3.39 C ATOM 102 NZ LYS A 7 6.382 -0.806 17.627 1.00 4.37 N ATOM 0 H LYS A 7 5.130 3.720 16.238 1.00 0.91 H new ATOM 0 HA LYS A 7 4.981 1.012 15.604 1.00 0.99 H new ATOM 0 HB2 LYS A 7 2.543 2.568 16.316 1.00 1.33 H new ATOM 0 HB3 LYS A 7 2.771 0.831 16.363 1.00 1.33 H new ATOM 0 HG2 LYS A 7 3.825 2.931 18.246 1.00 1.41 H new ATOM 0 HG3 LYS A 7 2.898 1.487 18.605 1.00 1.41 H new ATOM 0 HD2 LYS A 7 5.817 1.626 17.791 1.00 2.19 H new ATOM 0 HD3 LYS A 7 5.185 1.221 19.374 1.00 2.19 H new ATOM 0 HE2 LYS A 7 4.588 -0.950 18.745 1.00 3.39 H new ATOM 0 HE3 LYS A 7 4.360 -0.524 17.060 1.00 3.39 H new ATOM 0 HZ1 LYS A 7 6.440 -1.840 17.723 1.00 4.37 H new ATOM 0 HZ2 LYS A 7 6.632 -0.534 16.655 1.00 4.37 H new ATOM 0 HZ3 LYS A 7 7.044 -0.358 18.292 1.00 4.37 H new ATOM 116 N ALA A 8 3.711 2.973 13.304 1.00 0.78 N ATOM 117 CA ALA A 8 3.285 2.970 11.910 1.00 0.75 C ATOM 118 C ALA A 8 4.260 2.150 11.049 1.00 0.68 C ATOM 119 O ALA A 8 3.842 1.157 10.457 1.00 0.73 O ATOM 120 CB ALA A 8 3.081 4.412 11.416 1.00 0.88 C ATOM 0 H ALA A 8 3.945 3.897 13.667 1.00 0.78 H new ATOM 0 HA ALA A 8 2.318 2.475 11.818 1.00 0.75 H new ATOM 0 HB1 ALA A 8 2.763 4.398 10.374 1.00 0.88 H new ATOM 0 HB2 ALA A 8 2.317 4.900 12.022 1.00 0.88 H new ATOM 0 HB3 ALA A 8 4.018 4.962 11.502 1.00 0.88 H new ATOM 126 N LEU A 9 5.556 2.487 11.053 1.00 0.66 N ATOM 127 CA LEU A 9 6.561 1.772 10.250 1.00 0.66 C ATOM 128 C LEU A 9 6.675 0.288 10.647 1.00 0.67 C ATOM 129 O LEU A 9 6.744 -0.568 9.755 1.00 0.70 O ATOM 130 CB LEU A 9 7.927 2.493 10.348 1.00 0.71 C ATOM 131 CG LEU A 9 8.140 3.728 9.440 1.00 0.68 C ATOM 132 CD1 LEU A 9 8.075 3.383 7.945 1.00 0.82 C ATOM 133 CD2 LEU A 9 7.169 4.875 9.749 1.00 0.80 C ATOM 0 H LEU A 9 5.937 3.255 11.606 1.00 0.66 H new ATOM 0 HA LEU A 9 6.233 1.786 9.211 1.00 0.66 H new ATOM 0 HB2 LEU A 9 8.071 2.805 11.382 1.00 0.71 H new ATOM 0 HB3 LEU A 9 8.709 1.768 10.122 1.00 0.71 H new ATOM 0 HG LEU A 9 9.149 4.070 9.670 1.00 0.68 H new ATOM 0 HD11 LEU A 9 8.231 4.287 7.356 1.00 0.82 H new ATOM 0 HD12 LEU A 9 8.850 2.655 7.705 1.00 0.82 H new ATOM 0 HD13 LEU A 9 7.097 2.962 7.711 1.00 0.82 H new ATOM 0 HD21 LEU A 9 7.369 5.711 9.079 1.00 0.80 H new ATOM 0 HD22 LEU A 9 6.144 4.533 9.606 1.00 0.80 H new ATOM 0 HD23 LEU A 9 7.303 5.197 10.782 1.00 0.80 H new ATOM 145 N THR A 10 6.629 -0.045 11.951 1.00 0.69 N ATOM 146 CA THR A 10 6.667 -1.449 12.415 1.00 0.80 C ATOM 147 C THR A 10 5.446 -2.254 12.004 1.00 0.78 C ATOM 148 O THR A 10 5.606 -3.396 11.566 1.00 0.81 O ATOM 149 CB THR A 10 6.908 -1.582 13.921 1.00 1.11 C ATOM 150 OG1 THR A 10 6.250 -0.615 14.676 1.00 1.43 O ATOM 151 CG2 THR A 10 8.403 -1.457 14.179 1.00 2.64 C ATOM 0 H THR A 10 6.565 0.639 12.705 1.00 0.69 H new ATOM 0 HA THR A 10 7.529 -1.875 11.902 1.00 0.80 H new ATOM 0 HB THR A 10 6.513 -2.551 14.226 1.00 1.11 H new ATOM 0 HG1 THR A 10 6.706 0.246 14.573 1.00 1.43 H new ATOM 0 HG21 THR A 10 8.597 -1.549 15.248 1.00 2.64 H new ATOM 0 HG22 THR A 10 8.932 -2.247 13.645 1.00 2.64 H new ATOM 0 HG23 THR A 10 8.753 -0.486 13.829 1.00 2.64 H new ATOM 159 N THR A 11 4.246 -1.660 12.043 1.00 0.78 N ATOM 160 CA THR A 11 2.996 -2.282 11.550 1.00 0.83 C ATOM 161 C THR A 11 3.090 -2.593 10.059 1.00 0.80 C ATOM 162 O THR A 11 2.567 -3.617 9.606 1.00 0.75 O ATOM 163 CB THR A 11 1.800 -1.371 11.857 1.00 0.87 C ATOM 164 OG1 THR A 11 1.715 -1.236 13.253 1.00 1.14 O ATOM 165 CG2 THR A 11 0.446 -1.910 11.393 1.00 0.91 C ATOM 0 H THR A 11 4.107 -0.723 12.421 1.00 0.78 H new ATOM 0 HA THR A 11 2.848 -3.229 12.069 1.00 0.83 H new ATOM 0 HB THR A 11 1.982 -0.440 11.320 1.00 0.87 H new ATOM 0 HG1 THR A 11 2.467 -0.696 13.576 1.00 1.14 H new ATOM 0 HG21 THR A 11 -0.338 -1.198 11.653 1.00 0.91 H new ATOM 0 HG22 THR A 11 0.462 -2.053 10.312 1.00 0.91 H new ATOM 0 HG23 THR A 11 0.247 -2.864 11.882 1.00 0.91 H new ATOM 173 N MET A 12 3.806 -1.751 9.301 1.00 0.88 N ATOM 174 CA MET A 12 3.952 -1.912 7.850 1.00 0.83 C ATOM 175 C MET A 12 4.876 -3.084 7.512 1.00 0.83 C ATOM 176 O MET A 12 4.448 -4.002 6.821 1.00 0.93 O ATOM 177 CB MET A 12 4.448 -0.614 7.189 1.00 0.84 C ATOM 178 CG MET A 12 3.429 0.525 7.285 1.00 1.02 C ATOM 179 SD MET A 12 4.178 2.159 7.071 1.00 1.31 S ATOM 180 CE MET A 12 2.957 2.920 5.974 1.00 0.93 C ATOM 0 H MET A 12 4.299 -0.941 9.677 1.00 0.88 H new ATOM 0 HA MET A 12 2.965 -2.136 7.446 1.00 0.83 H new ATOM 0 HB2 MET A 12 5.380 -0.303 7.662 1.00 0.84 H new ATOM 0 HB3 MET A 12 4.672 -0.808 6.140 1.00 0.84 H new ATOM 0 HG2 MET A 12 2.659 0.382 6.527 1.00 1.02 H new ATOM 0 HG3 MET A 12 2.934 0.482 8.255 1.00 1.02 H new ATOM 0 HE1 MET A 12 3.264 3.939 5.739 1.00 0.93 H new ATOM 0 HE2 MET A 12 2.885 2.341 5.053 1.00 0.93 H new ATOM 0 HE3 MET A 12 1.986 2.939 6.468 1.00 0.93 H new ATOM 190 N VAL A 13 6.106 -3.087 8.042 1.00 0.81 N ATOM 191 CA VAL A 13 7.090 -4.165 7.797 1.00 0.85 C ATOM 192 C VAL A 13 6.639 -5.536 8.331 1.00 0.90 C ATOM 193 O VAL A 13 6.974 -6.564 7.741 1.00 0.97 O ATOM 194 CB VAL A 13 8.510 -3.837 8.320 1.00 0.89 C ATOM 195 CG1 VAL A 13 9.089 -2.607 7.604 1.00 0.94 C ATOM 196 CG2 VAL A 13 8.553 -3.629 9.839 1.00 0.89 C ATOM 0 H VAL A 13 6.452 -2.347 8.652 1.00 0.81 H new ATOM 0 HA VAL A 13 7.142 -4.228 6.710 1.00 0.85 H new ATOM 0 HB VAL A 13 9.126 -4.708 8.096 1.00 0.89 H new ATOM 0 HG11 VAL A 13 10.087 -2.398 7.990 1.00 0.94 H new ATOM 0 HG12 VAL A 13 9.147 -2.803 6.533 1.00 0.94 H new ATOM 0 HG13 VAL A 13 8.444 -1.746 7.780 1.00 0.94 H new ATOM 0 HG21 VAL A 13 9.574 -3.402 10.146 1.00 0.89 H new ATOM 0 HG22 VAL A 13 7.899 -2.800 10.111 1.00 0.89 H new ATOM 0 HG23 VAL A 13 8.216 -4.536 10.340 1.00 0.89 H new ATOM 206 N THR A 14 5.843 -5.568 9.414 1.00 0.93 N ATOM 207 CA THR A 14 5.294 -6.808 9.999 1.00 1.04 C ATOM 208 C THR A 14 4.268 -7.439 9.068 1.00 1.09 C ATOM 209 O THR A 14 4.386 -8.618 8.731 1.00 1.21 O ATOM 210 CB THR A 14 4.672 -6.542 11.376 1.00 1.12 C ATOM 211 OG1 THR A 14 5.658 -6.006 12.217 1.00 1.26 O ATOM 212 CG2 THR A 14 4.174 -7.824 12.047 1.00 1.52 C ATOM 0 H THR A 14 5.559 -4.726 9.914 1.00 0.93 H new ATOM 0 HA THR A 14 6.120 -7.507 10.128 1.00 1.04 H new ATOM 0 HB THR A 14 3.830 -5.866 11.225 1.00 1.12 H new ATOM 0 HG1 THR A 14 5.797 -5.061 11.997 1.00 1.26 H new ATOM 0 HG21 THR A 14 3.743 -7.582 13.018 1.00 1.52 H new ATOM 0 HG22 THR A 14 3.416 -8.292 11.420 1.00 1.52 H new ATOM 0 HG23 THR A 14 5.009 -8.512 12.182 1.00 1.52 H new ATOM 220 N THR A 15 3.294 -6.654 8.600 1.00 1.06 N ATOM 221 CA THR A 15 2.252 -7.110 7.668 1.00 1.13 C ATOM 222 C THR A 15 2.872 -7.469 6.325 1.00 1.07 C ATOM 223 O THR A 15 2.557 -8.517 5.779 1.00 1.19 O ATOM 224 CB THR A 15 1.176 -6.027 7.536 1.00 1.18 C ATOM 225 OG1 THR A 15 0.775 -5.634 8.831 1.00 2.52 O ATOM 226 CG2 THR A 15 -0.066 -6.528 6.803 1.00 1.81 C ATOM 0 H THR A 15 3.203 -5.672 8.859 1.00 1.06 H new ATOM 0 HA THR A 15 1.775 -8.011 8.054 1.00 1.13 H new ATOM 0 HB THR A 15 1.606 -5.204 6.966 1.00 1.18 H new ATOM 0 HG1 THR A 15 1.360 -4.916 9.151 1.00 2.52 H new ATOM 0 HG21 THR A 15 -0.798 -5.723 6.736 1.00 1.81 H new ATOM 0 HG22 THR A 15 0.210 -6.853 5.800 1.00 1.81 H new ATOM 0 HG23 THR A 15 -0.498 -7.366 7.350 1.00 1.81 H new ATOM 234 N PHE A 16 3.833 -6.679 5.846 1.00 0.95 N ATOM 235 CA PHE A 16 4.630 -6.945 4.643 1.00 0.88 C ATOM 236 C PHE A 16 5.405 -8.278 4.713 1.00 0.87 C ATOM 237 O PHE A 16 5.512 -8.984 3.710 1.00 0.81 O ATOM 238 CB PHE A 16 5.571 -5.743 4.505 1.00 0.89 C ATOM 239 CG PHE A 16 6.550 -5.664 3.351 1.00 0.83 C ATOM 240 CD1 PHE A 16 6.426 -6.450 2.190 1.00 1.71 C ATOM 241 CD2 PHE A 16 7.608 -4.739 3.455 1.00 2.07 C ATOM 242 CE1 PHE A 16 7.374 -6.331 1.164 1.00 1.58 C ATOM 243 CE2 PHE A 16 8.522 -4.584 2.402 1.00 2.19 C ATOM 244 CZ PHE A 16 8.387 -5.364 1.245 1.00 0.90 C ATOM 0 H PHE A 16 4.089 -5.803 6.301 1.00 0.95 H new ATOM 0 HA PHE A 16 3.986 -7.060 3.771 1.00 0.88 H new ATOM 0 HB2 PHE A 16 4.948 -4.850 4.461 1.00 0.89 H new ATOM 0 HB3 PHE A 16 6.152 -5.681 5.425 1.00 0.89 H new ATOM 0 HD1 PHE A 16 5.603 -7.142 2.090 1.00 1.71 H new ATOM 0 HD2 PHE A 16 7.716 -4.146 4.351 1.00 2.07 H new ATOM 0 HE1 PHE A 16 7.324 -6.987 0.307 1.00 1.58 H new ATOM 0 HE2 PHE A 16 9.326 -3.867 2.482 1.00 2.19 H new ATOM 0 HZ PHE A 16 9.063 -5.220 0.415 1.00 0.90 H new ATOM 254 N HIS A 17 5.881 -8.682 5.893 1.00 1.00 N ATOM 255 CA HIS A 17 6.571 -9.965 6.093 1.00 1.03 C ATOM 256 C HIS A 17 5.688 -11.168 5.703 1.00 1.06 C ATOM 257 O HIS A 17 6.173 -12.171 5.180 1.00 1.12 O ATOM 258 CB HIS A 17 7.075 -10.081 7.542 1.00 1.27 C ATOM 259 CG HIS A 17 8.474 -10.641 7.607 1.00 1.16 C ATOM 260 ND1 HIS A 17 9.620 -9.915 7.835 1.00 2.48 N ATOM 261 CD2 HIS A 17 8.862 -11.930 7.357 1.00 2.11 C ATOM 262 CE1 HIS A 17 10.665 -10.748 7.743 1.00 2.66 C ATOM 263 NE2 HIS A 17 10.258 -11.996 7.453 1.00 1.83 N ATOM 0 H HIS A 17 5.799 -8.126 6.745 1.00 1.00 H new ATOM 0 HA HIS A 17 7.433 -9.986 5.426 1.00 1.03 H new ATOM 0 HB2 HIS A 17 7.055 -9.098 8.013 1.00 1.27 H new ATOM 0 HB3 HIS A 17 6.401 -10.721 8.111 1.00 1.27 H new ATOM 0 HD1 HIS A 17 9.666 -8.917 8.039 1.00 2.48 H new ATOM 0 HD2 HIS A 17 8.204 -12.755 7.125 1.00 2.11 H new ATOM 0 HE1 HIS A 17 11.695 -10.456 7.883 1.00 2.66 H new ATOM 272 N LYS A 18 4.368 -11.034 5.883 1.00 1.12 N ATOM 273 CA LYS A 18 3.342 -12.029 5.549 1.00 1.21 C ATOM 274 C LYS A 18 3.218 -12.339 4.039 1.00 1.07 C ATOM 275 O LYS A 18 2.625 -13.357 3.668 1.00 1.24 O ATOM 276 CB LYS A 18 2.005 -11.492 6.100 1.00 1.31 C ATOM 277 CG LYS A 18 1.093 -12.579 6.666 1.00 1.83 C ATOM 278 CD LYS A 18 -0.313 -12.009 6.898 1.00 1.88 C ATOM 279 CE LYS A 18 -1.203 -12.986 7.678 1.00 2.38 C ATOM 280 NZ LYS A 18 -0.828 -13.057 9.116 1.00 3.52 N ATOM 0 H LYS A 18 3.967 -10.187 6.285 1.00 1.12 H new ATOM 0 HA LYS A 18 3.627 -12.979 6.000 1.00 1.21 H new ATOM 0 HB2 LYS A 18 2.212 -10.761 6.881 1.00 1.31 H new ATOM 0 HB3 LYS A 18 1.478 -10.967 5.303 1.00 1.31 H new ATOM 0 HG2 LYS A 18 1.045 -13.422 5.976 1.00 1.83 H new ATOM 0 HG3 LYS A 18 1.501 -12.957 7.603 1.00 1.83 H new ATOM 0 HD2 LYS A 18 -0.238 -11.069 7.445 1.00 1.88 H new ATOM 0 HD3 LYS A 18 -0.776 -11.783 5.938 1.00 1.88 H new ATOM 0 HE2 LYS A 18 -2.244 -12.677 7.590 1.00 2.38 H new ATOM 0 HE3 LYS A 18 -1.127 -13.979 7.234 1.00 2.38 H new ATOM 0 HZ1 LYS A 18 -1.506 -13.662 9.622 1.00 3.52 H new ATOM 0 HZ2 LYS A 18 0.128 -13.457 9.206 1.00 3.52 H new ATOM 0 HZ3 LYS A 18 -0.843 -12.102 9.526 1.00 3.52 H new ATOM 294 N TYR A 19 3.759 -11.466 3.182 1.00 0.86 N ATOM 295 CA TYR A 19 3.670 -11.518 1.716 1.00 0.80 C ATOM 296 C TYR A 19 5.059 -11.602 1.036 1.00 0.88 C ATOM 297 O TYR A 19 5.227 -11.276 -0.134 1.00 1.63 O ATOM 298 CB TYR A 19 2.857 -10.293 1.259 1.00 0.63 C ATOM 299 CG TYR A 19 1.453 -10.243 1.846 1.00 0.59 C ATOM 300 CD1 TYR A 19 0.443 -11.084 1.341 1.00 1.91 C ATOM 301 CD2 TYR A 19 1.161 -9.375 2.915 1.00 1.94 C ATOM 302 CE1 TYR A 19 -0.852 -11.056 1.894 1.00 1.88 C ATOM 303 CE2 TYR A 19 -0.138 -9.325 3.463 1.00 2.02 C ATOM 304 CZ TYR A 19 -1.145 -10.176 2.961 1.00 0.71 C ATOM 305 OH TYR A 19 -2.390 -10.141 3.506 1.00 0.85 O ATOM 0 H TYR A 19 4.298 -10.663 3.507 1.00 0.86 H new ATOM 0 HA TYR A 19 3.164 -12.433 1.408 1.00 0.80 H new ATOM 0 HB2 TYR A 19 3.392 -9.386 1.540 1.00 0.63 H new ATOM 0 HB3 TYR A 19 2.788 -10.298 0.171 1.00 0.63 H new ATOM 0 HD1 TYR A 19 0.663 -11.755 0.524 1.00 1.91 H new ATOM 0 HD2 TYR A 19 1.938 -8.742 3.319 1.00 1.94 H new ATOM 0 HE1 TYR A 19 -1.621 -11.706 1.503 1.00 1.88 H new ATOM 0 HE2 TYR A 19 -0.361 -8.637 4.265 1.00 2.02 H new ATOM 0 HH TYR A 19 -2.412 -9.480 4.229 1.00 0.85 H new ATOM 315 N SER A 20 6.086 -11.973 1.807 1.00 1.20 N ATOM 316 CA SER A 20 7.489 -11.905 1.388 1.00 1.05 C ATOM 317 C SER A 20 8.313 -13.055 2.005 1.00 1.16 C ATOM 318 O SER A 20 8.588 -14.074 1.361 1.00 1.68 O ATOM 319 CB SER A 20 8.023 -10.516 1.774 1.00 0.97 C ATOM 320 OG SER A 20 7.826 -10.199 3.142 1.00 1.78 O ATOM 0 H SER A 20 5.964 -12.334 2.753 1.00 1.20 H new ATOM 0 HA SER A 20 7.576 -12.034 0.309 1.00 1.05 H new ATOM 0 HB2 SER A 20 9.088 -10.468 1.547 1.00 0.97 H new ATOM 0 HB3 SER A 20 7.532 -9.762 1.159 1.00 0.97 H new ATOM 0 HG SER A 20 7.049 -9.608 3.232 1.00 1.78 H new ATOM 326 N GLY A 21 8.614 -12.971 3.310 1.00 1.23 N ATOM 327 CA GLY A 21 9.355 -13.986 4.081 1.00 1.50 C ATOM 328 C GLY A 21 8.600 -15.301 4.299 1.00 1.59 C ATOM 329 O GLY A 21 9.150 -16.228 4.883 1.00 2.25 O ATOM 0 H GLY A 21 8.340 -12.169 3.878 1.00 1.23 H new ATOM 0 HA2 GLY A 21 10.291 -14.201 3.566 1.00 1.50 H new ATOM 0 HA3 GLY A 21 9.615 -13.566 5.053 1.00 1.50 H new ATOM 332 N ARG A 22 7.372 -15.392 3.777 1.00 1.46 N ATOM 333 CA ARG A 22 6.572 -16.611 3.593 1.00 1.78 C ATOM 334 C ARG A 22 7.128 -17.554 2.508 1.00 1.91 C ATOM 335 O ARG A 22 6.849 -18.747 2.549 1.00 2.39 O ATOM 336 CB ARG A 22 5.127 -16.211 3.240 1.00 2.01 C ATOM 337 CG ARG A 22 5.033 -15.275 2.016 1.00 1.84 C ATOM 338 CD ARG A 22 4.010 -15.724 0.979 1.00 1.78 C ATOM 339 NE ARG A 22 2.641 -15.320 1.313 1.00 1.92 N ATOM 340 CZ ARG A 22 1.706 -15.266 0.368 1.00 2.34 C ATOM 341 NH1 ARG A 22 1.810 -15.914 -0.776 1.00 2.54 N ATOM 342 NH2 ARG A 22 0.660 -14.486 0.515 1.00 3.50 N ATOM 0 H ARG A 22 6.877 -14.562 3.450 1.00 1.46 H new ATOM 0 HA ARG A 22 6.610 -17.165 4.531 1.00 1.78 H new ATOM 0 HB2 ARG A 22 4.546 -17.112 3.045 1.00 2.01 H new ATOM 0 HB3 ARG A 22 4.673 -15.719 4.100 1.00 2.01 H new ATOM 0 HG2 ARG A 22 4.777 -14.272 2.356 1.00 1.84 H new ATOM 0 HG3 ARG A 22 6.013 -15.211 1.543 1.00 1.84 H new ATOM 0 HD2 ARG A 22 4.279 -15.309 0.008 1.00 1.78 H new ATOM 0 HD3 ARG A 22 4.050 -16.809 0.884 1.00 1.78 H new ATOM 0 HE ARG A 22 2.404 -15.079 2.275 1.00 1.92 H new ATOM 0 HH11 ARG A 22 2.633 -16.486 -0.965 1.00 2.54 H new ATOM 0 HH12 ARG A 22 1.067 -15.843 -1.472 1.00 2.54 H new ATOM 0 HH21 ARG A 22 0.562 -13.918 1.356 1.00 3.50 H new ATOM 0 HH22 ARG A 22 -0.054 -14.448 -0.212 1.00 3.50 H new ATOM 356 N GLU A 23 7.876 -17.011 1.538 1.00 1.77 N ATOM 357 CA GLU A 23 8.409 -17.712 0.360 1.00 2.21 C ATOM 358 C GLU A 23 9.923 -17.469 0.190 1.00 2.24 C ATOM 359 O GLU A 23 10.636 -18.397 -0.180 1.00 3.06 O ATOM 360 CB GLU A 23 7.610 -17.285 -0.891 1.00 2.52 C ATOM 361 CG GLU A 23 6.276 -18.046 -0.989 1.00 3.35 C ATOM 362 CD GLU A 23 5.242 -17.399 -1.913 1.00 4.24 C ATOM 363 OE1 GLU A 23 5.613 -16.884 -2.984 1.00 4.56 O ATOM 364 OE2 GLU A 23 4.052 -17.393 -1.513 1.00 5.32 O ATOM 0 H GLU A 23 8.139 -16.025 1.553 1.00 1.77 H new ATOM 0 HA GLU A 23 8.289 -18.786 0.501 1.00 2.21 H new ATOM 0 HB2 GLU A 23 7.418 -16.213 -0.854 1.00 2.52 H new ATOM 0 HB3 GLU A 23 8.204 -17.471 -1.786 1.00 2.52 H new ATOM 0 HG2 GLU A 23 6.475 -19.059 -1.340 1.00 3.35 H new ATOM 0 HG3 GLU A 23 5.848 -18.133 0.010 1.00 3.35 H new ATOM 371 N GLY A 24 10.442 -16.282 0.551 1.00 2.38 N ATOM 372 CA GLY A 24 11.879 -16.105 0.815 1.00 2.81 C ATOM 373 C GLY A 24 12.387 -14.665 0.819 1.00 2.18 C ATOM 374 O GLY A 24 13.199 -14.300 1.664 1.00 3.10 O ATOM 0 H GLY A 24 9.888 -15.433 0.666 1.00 2.38 H new ATOM 0 HA2 GLY A 24 12.108 -16.553 1.782 1.00 2.81 H new ATOM 0 HA3 GLY A 24 12.438 -16.664 0.064 1.00 2.81 H new ATOM 377 N SER A 25 11.917 -13.844 -0.116 1.00 1.42 N ATOM 378 CA SER A 25 12.409 -12.480 -0.377 1.00 1.31 C ATOM 379 C SER A 25 11.949 -11.460 0.683 1.00 1.24 C ATOM 380 O SER A 25 11.190 -10.544 0.408 1.00 1.77 O ATOM 381 CB SER A 25 11.987 -12.042 -1.789 1.00 1.99 C ATOM 382 OG SER A 25 12.265 -13.047 -2.746 1.00 3.50 O ATOM 0 H SER A 25 11.156 -14.113 -0.739 1.00 1.42 H new ATOM 0 HA SER A 25 13.497 -12.505 -0.313 1.00 1.31 H new ATOM 0 HB2 SER A 25 10.921 -11.814 -1.798 1.00 1.99 H new ATOM 0 HB3 SER A 25 12.511 -11.125 -2.059 1.00 1.99 H new ATOM 0 HG SER A 25 12.082 -12.702 -3.645 1.00 3.50 H new ATOM 388 N LYS A 26 12.361 -11.617 1.944 1.00 1.19 N ATOM 389 CA LYS A 26 11.631 -11.109 3.117 1.00 1.19 C ATOM 390 C LYS A 26 11.537 -9.572 3.312 1.00 1.09 C ATOM 391 O LYS A 26 10.985 -9.133 4.319 1.00 1.30 O ATOM 392 CB LYS A 26 12.130 -11.892 4.347 1.00 1.56 C ATOM 393 CG LYS A 26 13.587 -11.634 4.774 1.00 1.57 C ATOM 394 CD LYS A 26 14.118 -12.748 5.698 1.00 1.75 C ATOM 395 CE LYS A 26 13.288 -12.911 6.979 1.00 2.29 C ATOM 396 NZ LYS A 26 14.000 -13.723 7.991 1.00 2.94 N ATOM 0 H LYS A 26 13.222 -12.107 2.186 1.00 1.19 H new ATOM 0 HA LYS A 26 10.573 -11.300 2.940 1.00 1.19 H new ATOM 0 HB2 LYS A 26 11.480 -11.657 5.189 1.00 1.56 H new ATOM 0 HB3 LYS A 26 12.016 -12.957 4.144 1.00 1.56 H new ATOM 0 HG2 LYS A 26 14.219 -11.564 3.888 1.00 1.57 H new ATOM 0 HG3 LYS A 26 13.651 -10.675 5.287 1.00 1.57 H new ATOM 0 HD2 LYS A 26 14.124 -13.692 5.153 1.00 1.75 H new ATOM 0 HD3 LYS A 26 15.151 -12.528 5.967 1.00 1.75 H new ATOM 0 HE2 LYS A 26 13.062 -11.929 7.394 1.00 2.29 H new ATOM 0 HE3 LYS A 26 12.335 -13.383 6.738 1.00 2.29 H new ATOM 0 HZ1 LYS A 26 13.338 -13.998 8.744 1.00 2.94 H new ATOM 0 HZ2 LYS A 26 14.387 -14.577 7.541 1.00 2.94 H new ATOM 0 HZ3 LYS A 26 14.777 -13.165 8.400 1.00 2.94 H new ATOM 410 N LEU A 27 12.058 -8.766 2.379 1.00 1.00 N ATOM 411 CA LEU A 27 11.991 -7.290 2.375 1.00 1.13 C ATOM 412 C LEU A 27 11.492 -6.695 1.037 1.00 0.91 C ATOM 413 O LEU A 27 11.456 -5.471 0.880 1.00 0.99 O ATOM 414 CB LEU A 27 13.382 -6.738 2.734 1.00 1.54 C ATOM 415 CG LEU A 27 13.914 -7.124 4.128 1.00 2.82 C ATOM 416 CD1 LEU A 27 15.347 -6.609 4.236 1.00 3.13 C ATOM 417 CD2 LEU A 27 13.069 -6.553 5.276 1.00 3.87 C ATOM 0 H LEU A 27 12.559 -9.134 1.571 1.00 1.00 H new ATOM 0 HA LEU A 27 11.252 -6.988 3.117 1.00 1.13 H new ATOM 0 HB2 LEU A 27 14.094 -7.084 1.985 1.00 1.54 H new ATOM 0 HB3 LEU A 27 13.350 -5.651 2.666 1.00 1.54 H new ATOM 0 HG LEU A 27 13.865 -8.209 4.225 1.00 2.82 H new ATOM 0 HD11 LEU A 27 15.754 -6.867 5.214 1.00 3.13 H new ATOM 0 HD12 LEU A 27 15.958 -7.066 3.457 1.00 3.13 H new ATOM 0 HD13 LEU A 27 15.355 -5.526 4.114 1.00 3.13 H new ATOM 0 HD21 LEU A 27 13.496 -6.861 6.230 1.00 3.87 H new ATOM 0 HD22 LEU A 27 13.062 -5.465 5.216 1.00 3.87 H new ATOM 0 HD23 LEU A 27 12.048 -6.928 5.198 1.00 3.87 H new ATOM 429 N THR A 28 11.093 -7.565 0.102 1.00 0.83 N ATOM 430 CA THR A 28 10.468 -7.278 -1.198 1.00 0.80 C ATOM 431 C THR A 28 9.222 -8.160 -1.363 1.00 0.85 C ATOM 432 O THR A 28 8.963 -9.026 -0.536 1.00 1.05 O ATOM 433 CB THR A 28 11.465 -7.534 -2.340 1.00 0.80 C ATOM 434 OG1 THR A 28 12.087 -8.779 -2.141 1.00 0.93 O ATOM 435 CG2 THR A 28 12.569 -6.481 -2.413 1.00 0.87 C ATOM 0 H THR A 28 11.207 -8.569 0.245 1.00 0.83 H new ATOM 0 HA THR A 28 10.174 -6.229 -1.236 1.00 0.80 H new ATOM 0 HB THR A 28 10.892 -7.501 -3.267 1.00 0.80 H new ATOM 0 HG1 THR A 28 11.995 -9.324 -2.950 1.00 0.93 H new ATOM 0 HG21 THR A 28 13.241 -6.715 -3.238 1.00 0.87 H new ATOM 0 HG22 THR A 28 12.125 -5.499 -2.575 1.00 0.87 H new ATOM 0 HG23 THR A 28 13.130 -6.476 -1.478 1.00 0.87 H new ATOM 443 N LEU A 29 8.427 -7.965 -2.414 1.00 0.75 N ATOM 444 CA LEU A 29 7.297 -8.838 -2.783 1.00 0.77 C ATOM 445 C LEU A 29 6.970 -8.733 -4.272 1.00 0.63 C ATOM 446 O LEU A 29 7.368 -7.777 -4.930 1.00 0.61 O ATOM 447 CB LEU A 29 6.045 -8.621 -1.900 1.00 0.88 C ATOM 448 CG LEU A 29 5.136 -7.404 -2.193 1.00 0.88 C ATOM 449 CD1 LEU A 29 3.949 -7.446 -1.223 1.00 1.06 C ATOM 450 CD2 LEU A 29 5.810 -6.035 -2.068 1.00 0.96 C ATOM 0 H LEU A 29 8.548 -7.179 -3.052 1.00 0.75 H new ATOM 0 HA LEU A 29 7.625 -9.859 -2.587 1.00 0.77 H new ATOM 0 HB2 LEU A 29 5.430 -9.518 -1.971 1.00 0.88 H new ATOM 0 HB3 LEU A 29 6.379 -8.544 -0.865 1.00 0.88 H new ATOM 0 HG LEU A 29 4.842 -7.497 -3.239 1.00 0.88 H new ATOM 0 HD11 LEU A 29 3.294 -6.595 -1.412 1.00 1.06 H new ATOM 0 HD12 LEU A 29 3.393 -8.372 -1.369 1.00 1.06 H new ATOM 0 HD13 LEU A 29 4.315 -7.401 -0.197 1.00 1.06 H new ATOM 0 HD21 LEU A 29 5.087 -5.251 -2.294 1.00 0.96 H new ATOM 0 HD22 LEU A 29 6.182 -5.904 -1.052 1.00 0.96 H new ATOM 0 HD23 LEU A 29 6.642 -5.974 -2.769 1.00 0.96 H new ATOM 462 N SER A 30 6.238 -9.703 -4.816 1.00 0.66 N ATOM 463 CA SER A 30 5.819 -9.651 -6.216 1.00 0.65 C ATOM 464 C SER A 30 4.707 -8.619 -6.432 1.00 0.62 C ATOM 465 O SER A 30 3.861 -8.406 -5.553 1.00 0.63 O ATOM 466 CB SER A 30 5.392 -11.034 -6.727 1.00 0.82 C ATOM 467 OG SER A 30 4.191 -11.472 -6.112 1.00 1.38 O ATOM 0 H SER A 30 5.923 -10.532 -4.311 1.00 0.66 H new ATOM 0 HA SER A 30 6.684 -9.334 -6.799 1.00 0.65 H new ATOM 0 HB2 SER A 30 5.255 -10.996 -7.808 1.00 0.82 H new ATOM 0 HB3 SER A 30 6.185 -11.755 -6.531 1.00 0.82 H new ATOM 0 HG SER A 30 3.947 -12.355 -6.462 1.00 1.38 H new ATOM 473 N ARG A 31 4.637 -8.006 -7.623 1.00 0.66 N ATOM 474 CA ARG A 31 3.535 -7.093 -7.962 1.00 0.71 C ATOM 475 C ARG A 31 2.166 -7.737 -7.691 1.00 0.76 C ATOM 476 O ARG A 31 1.258 -7.097 -7.168 1.00 0.85 O ATOM 477 CB ARG A 31 3.553 -6.663 -9.434 1.00 0.98 C ATOM 478 CG ARG A 31 4.891 -6.322 -10.129 1.00 1.51 C ATOM 479 CD ARG A 31 4.887 -4.820 -10.400 1.00 1.38 C ATOM 480 NE ARG A 31 6.206 -4.223 -10.683 1.00 2.52 N ATOM 481 CZ ARG A 31 6.599 -3.025 -10.259 1.00 2.63 C ATOM 482 NH1 ARG A 31 5.820 -2.192 -9.607 1.00 2.31 N ATOM 483 NH2 ARG A 31 7.825 -2.592 -10.434 1.00 4.20 N ATOM 0 H ARG A 31 5.327 -8.125 -8.365 1.00 0.66 H new ATOM 0 HA ARG A 31 3.684 -6.220 -7.326 1.00 0.71 H new ATOM 0 HB2 ARG A 31 3.084 -7.461 -10.009 1.00 0.98 H new ATOM 0 HB3 ARG A 31 2.911 -5.787 -9.522 1.00 0.98 H new ATOM 0 HG2 ARG A 31 5.735 -6.597 -9.496 1.00 1.51 H new ATOM 0 HG3 ARG A 31 4.995 -6.881 -11.059 1.00 1.51 H new ATOM 0 HD2 ARG A 31 4.229 -4.623 -11.246 1.00 1.38 H new ATOM 0 HD3 ARG A 31 4.456 -4.314 -9.536 1.00 1.38 H new ATOM 0 HE ARG A 31 6.863 -4.767 -11.243 1.00 2.52 H new ATOM 0 HH11 ARG A 31 4.855 -2.451 -9.400 1.00 2.31 H new ATOM 0 HH12 ARG A 31 6.180 -1.286 -9.307 1.00 2.31 H new ATOM 0 HH21 ARG A 31 8.511 -3.180 -10.908 1.00 4.20 H new ATOM 0 HH22 ARG A 31 8.092 -1.668 -10.096 1.00 4.20 H new ATOM 497 N LYS A 32 2.032 -9.027 -8.018 1.00 0.82 N ATOM 498 CA LYS A 32 0.831 -9.836 -7.810 1.00 0.94 C ATOM 499 C LYS A 32 0.440 -9.937 -6.322 1.00 0.88 C ATOM 500 O LYS A 32 -0.734 -9.749 -6.011 1.00 0.99 O ATOM 501 CB LYS A 32 1.084 -11.212 -8.469 1.00 1.11 C ATOM 502 CG LYS A 32 -0.155 -11.928 -9.032 1.00 1.54 C ATOM 503 CD LYS A 32 -0.886 -11.110 -10.115 1.00 2.13 C ATOM 504 CE LYS A 32 -1.389 -12.002 -11.267 1.00 3.18 C ATOM 505 NZ LYS A 32 -1.444 -11.252 -12.548 1.00 4.40 N ATOM 0 H LYS A 32 2.789 -9.555 -8.452 1.00 0.82 H new ATOM 0 HA LYS A 32 -0.031 -9.361 -8.278 1.00 0.94 H new ATOM 0 HB2 LYS A 32 1.801 -11.078 -9.279 1.00 1.11 H new ATOM 0 HB3 LYS A 32 1.553 -11.865 -7.733 1.00 1.11 H new ATOM 0 HG2 LYS A 32 0.147 -12.888 -9.452 1.00 1.54 H new ATOM 0 HG3 LYS A 32 -0.847 -12.140 -8.217 1.00 1.54 H new ATOM 0 HD2 LYS A 32 -1.730 -10.586 -9.666 1.00 2.13 H new ATOM 0 HD3 LYS A 32 -0.213 -10.350 -10.512 1.00 2.13 H new ATOM 0 HE2 LYS A 32 -0.731 -12.864 -11.376 1.00 3.18 H new ATOM 0 HE3 LYS A 32 -2.380 -12.386 -11.026 1.00 3.18 H new ATOM 0 HZ1 LYS A 32 -1.802 -11.875 -13.300 1.00 4.40 H new ATOM 0 HZ2 LYS A 32 -2.078 -10.434 -12.444 1.00 4.40 H new ATOM 0 HZ3 LYS A 32 -0.490 -10.921 -12.798 1.00 4.40 H new ATOM 519 N GLU A 33 1.398 -10.147 -5.409 1.00 0.76 N ATOM 520 CA GLU A 33 1.168 -10.145 -3.954 1.00 0.68 C ATOM 521 C GLU A 33 0.812 -8.744 -3.431 1.00 0.64 C ATOM 522 O GLU A 33 -0.164 -8.620 -2.687 1.00 0.70 O ATOM 523 CB GLU A 33 2.406 -10.695 -3.225 1.00 0.75 C ATOM 524 CG GLU A 33 2.482 -12.231 -3.247 1.00 1.40 C ATOM 525 CD GLU A 33 1.815 -12.843 -2.013 1.00 1.77 C ATOM 526 OE1 GLU A 33 2.403 -12.698 -0.925 1.00 3.24 O ATOM 527 OE2 GLU A 33 0.732 -13.471 -2.122 1.00 2.31 O ATOM 0 H GLU A 33 2.370 -10.326 -5.662 1.00 0.76 H new ATOM 0 HA GLU A 33 0.314 -10.792 -3.751 1.00 0.68 H new ATOM 0 HB2 GLU A 33 3.305 -10.285 -3.686 1.00 0.75 H new ATOM 0 HB3 GLU A 33 2.394 -10.352 -2.190 1.00 0.75 H new ATOM 0 HG2 GLU A 33 1.998 -12.607 -4.148 1.00 1.40 H new ATOM 0 HG3 GLU A 33 3.525 -12.544 -3.291 1.00 1.40 H new ATOM 534 N LEU A 34 1.505 -7.671 -3.848 1.00 0.63 N ATOM 535 CA LEU A 34 1.171 -6.308 -3.395 1.00 0.65 C ATOM 536 C LEU A 34 -0.265 -5.917 -3.772 1.00 0.74 C ATOM 537 O LEU A 34 -1.003 -5.329 -2.975 1.00 0.80 O ATOM 538 CB LEU A 34 2.184 -5.284 -3.946 1.00 0.65 C ATOM 539 CG LEU A 34 1.902 -3.847 -3.445 1.00 0.79 C ATOM 540 CD1 LEU A 34 1.973 -3.735 -1.920 1.00 1.09 C ATOM 541 CD2 LEU A 34 2.880 -2.830 -4.042 1.00 0.96 C ATOM 0 H LEU A 34 2.294 -7.719 -4.493 1.00 0.63 H new ATOM 0 HA LEU A 34 1.233 -6.301 -2.307 1.00 0.65 H new ATOM 0 HB2 LEU A 34 3.191 -5.578 -3.650 1.00 0.65 H new ATOM 0 HB3 LEU A 34 2.155 -5.298 -5.036 1.00 0.65 H new ATOM 0 HG LEU A 34 0.888 -3.623 -3.776 1.00 0.79 H new ATOM 0 HD11 LEU A 34 1.768 -2.707 -1.621 1.00 1.09 H new ATOM 0 HD12 LEU A 34 1.233 -4.398 -1.472 1.00 1.09 H new ATOM 0 HD13 LEU A 34 2.969 -4.020 -1.580 1.00 1.09 H new ATOM 0 HD21 LEU A 34 2.646 -1.835 -3.664 1.00 0.96 H new ATOM 0 HD22 LEU A 34 3.899 -3.095 -3.759 1.00 0.96 H new ATOM 0 HD23 LEU A 34 2.792 -2.835 -5.128 1.00 0.96 H new ATOM 553 N LYS A 35 -0.695 -6.296 -4.978 1.00 0.84 N ATOM 554 CA LYS A 35 -2.050 -6.135 -5.478 1.00 1.05 C ATOM 555 C LYS A 35 -3.094 -6.809 -4.566 1.00 1.01 C ATOM 556 O LYS A 35 -4.240 -6.359 -4.551 1.00 1.35 O ATOM 557 CB LYS A 35 -2.024 -6.635 -6.941 1.00 1.27 C ATOM 558 CG LYS A 35 -3.375 -7.031 -7.541 1.00 1.59 C ATOM 559 CD LYS A 35 -3.719 -8.500 -7.241 1.00 2.14 C ATOM 560 CE LYS A 35 -5.228 -8.640 -7.071 1.00 2.76 C ATOM 561 NZ LYS A 35 -5.619 -10.030 -6.729 1.00 4.05 N ATOM 0 H LYS A 35 -0.077 -6.742 -5.656 1.00 0.84 H new ATOM 0 HA LYS A 35 -2.375 -5.095 -5.466 1.00 1.05 H new ATOM 0 HB2 LYS A 35 -1.588 -5.853 -7.563 1.00 1.27 H new ATOM 0 HB3 LYS A 35 -1.358 -7.496 -6.998 1.00 1.27 H new ATOM 0 HG2 LYS A 35 -4.156 -6.385 -7.140 1.00 1.59 H new ATOM 0 HG3 LYS A 35 -3.355 -6.874 -8.619 1.00 1.59 H new ATOM 0 HD2 LYS A 35 -3.372 -9.140 -8.052 1.00 2.14 H new ATOM 0 HD3 LYS A 35 -3.208 -8.828 -6.336 1.00 2.14 H new ATOM 0 HE2 LYS A 35 -5.570 -7.963 -6.288 1.00 2.76 H new ATOM 0 HE3 LYS A 35 -5.727 -8.339 -7.992 1.00 2.76 H new ATOM 0 HZ1 LYS A 35 -6.650 -10.133 -6.821 1.00 4.05 H new ATOM 0 HZ2 LYS A 35 -5.146 -10.693 -7.376 1.00 4.05 H new ATOM 0 HZ3 LYS A 35 -5.336 -10.239 -5.750 1.00 4.05 H new ATOM 575 N GLU A 36 -2.716 -7.850 -3.818 1.00 0.72 N ATOM 576 CA GLU A 36 -3.566 -8.477 -2.822 1.00 0.67 C ATOM 577 C GLU A 36 -3.445 -7.781 -1.452 1.00 0.68 C ATOM 578 O GLU A 36 -4.469 -7.345 -0.930 1.00 0.89 O ATOM 579 CB GLU A 36 -3.211 -9.969 -2.773 1.00 0.75 C ATOM 580 CG GLU A 36 -4.322 -10.801 -2.132 1.00 0.96 C ATOM 581 CD GLU A 36 -5.654 -10.706 -2.885 1.00 1.53 C ATOM 582 OE1 GLU A 36 -5.652 -10.483 -4.118 1.00 2.21 O ATOM 583 OE2 GLU A 36 -6.700 -10.797 -2.213 1.00 2.80 O ATOM 0 H GLU A 36 -1.795 -8.282 -3.895 1.00 0.72 H new ATOM 0 HA GLU A 36 -4.616 -8.373 -3.097 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -3.025 -10.331 -3.784 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -2.287 -10.104 -2.211 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -4.009 -11.844 -2.090 1.00 0.96 H new ATOM 0 HG3 GLU A 36 -4.468 -10.470 -1.104 1.00 0.96 H new ATOM 590 N LEU A 37 -2.219 -7.628 -0.921 1.00 0.62 N ATOM 591 CA LEU A 37 -1.870 -7.051 0.393 1.00 0.66 C ATOM 592 C LEU A 37 -2.661 -5.782 0.703 1.00 0.71 C ATOM 593 O LEU A 37 -3.342 -5.746 1.730 1.00 0.76 O ATOM 594 CB LEU A 37 -0.332 -6.831 0.425 1.00 0.72 C ATOM 595 CG LEU A 37 0.272 -5.804 1.422 1.00 0.82 C ATOM 596 CD1 LEU A 37 -0.031 -6.042 2.906 1.00 0.97 C ATOM 597 CD2 LEU A 37 1.801 -5.795 1.274 1.00 1.48 C ATOM 0 H LEU A 37 -1.388 -7.924 -1.432 1.00 0.62 H new ATOM 0 HA LEU A 37 -2.150 -7.744 1.186 1.00 0.66 H new ATOM 0 HB2 LEU A 37 0.132 -7.796 0.629 1.00 0.72 H new ATOM 0 HB3 LEU A 37 -0.023 -6.534 -0.577 1.00 0.72 H new ATOM 0 HG LEU A 37 -0.204 -4.861 1.154 1.00 0.82 H new ATOM 0 HD11 LEU A 37 0.442 -5.263 3.504 1.00 0.97 H new ATOM 0 HD12 LEU A 37 -1.109 -6.017 3.066 1.00 0.97 H new ATOM 0 HD13 LEU A 37 0.358 -7.015 3.205 1.00 0.97 H new ATOM 0 HD21 LEU A 37 2.230 -5.076 1.972 1.00 1.48 H new ATOM 0 HD22 LEU A 37 2.193 -6.789 1.490 1.00 1.48 H new ATOM 0 HD23 LEU A 37 2.066 -5.514 0.255 1.00 1.48 H new ATOM 609 N ILE A 38 -2.629 -4.783 -0.189 1.00 0.74 N ATOM 610 CA ILE A 38 -3.283 -3.478 0.027 1.00 0.86 C ATOM 611 C ILE A 38 -4.790 -3.628 0.285 1.00 0.98 C ATOM 612 O ILE A 38 -5.330 -2.978 1.171 1.00 1.31 O ATOM 613 CB ILE A 38 -2.961 -2.528 -1.152 1.00 0.80 C ATOM 614 CG1 ILE A 38 -1.431 -2.279 -1.183 1.00 0.88 C ATOM 615 CG2 ILE A 38 -3.750 -1.206 -1.048 1.00 0.94 C ATOM 616 CD1 ILE A 38 -0.954 -1.354 -2.299 1.00 0.95 C ATOM 0 H ILE A 38 -2.148 -4.854 -1.086 1.00 0.74 H new ATOM 0 HA ILE A 38 -2.879 -3.027 0.933 1.00 0.86 H new ATOM 0 HB ILE A 38 -3.270 -2.995 -2.087 1.00 0.80 H new ATOM 0 HG12 ILE A 38 -1.127 -1.856 -0.225 1.00 0.88 H new ATOM 0 HG13 ILE A 38 -0.923 -3.238 -1.284 1.00 0.88 H new ATOM 0 HG21 ILE A 38 -3.498 -0.565 -1.893 1.00 0.94 H new ATOM 0 HG22 ILE A 38 -4.819 -1.418 -1.060 1.00 0.94 H new ATOM 0 HG23 ILE A 38 -3.491 -0.700 -0.118 1.00 0.94 H new ATOM 0 HD11 ILE A 38 0.128 -1.240 -2.240 1.00 0.95 H new ATOM 0 HD12 ILE A 38 -1.221 -1.782 -3.265 1.00 0.95 H new ATOM 0 HD13 ILE A 38 -1.428 -0.378 -2.190 1.00 0.95 H new ATOM 628 N LYS A 39 -5.474 -4.534 -0.419 1.00 0.90 N ATOM 629 CA LYS A 39 -6.897 -4.814 -0.198 1.00 1.03 C ATOM 630 C LYS A 39 -7.185 -5.684 1.043 1.00 1.17 C ATOM 631 O LYS A 39 -8.351 -5.924 1.369 1.00 1.33 O ATOM 632 CB LYS A 39 -7.446 -5.474 -1.478 1.00 1.02 C ATOM 633 CG LYS A 39 -8.152 -4.486 -2.413 1.00 1.13 C ATOM 634 CD LYS A 39 -7.234 -3.454 -3.090 1.00 2.45 C ATOM 635 CE LYS A 39 -8.060 -2.439 -3.898 1.00 3.33 C ATOM 636 NZ LYS A 39 -8.858 -3.082 -4.965 1.00 4.11 N ATOM 0 H LYS A 39 -5.056 -5.096 -1.161 1.00 0.90 H new ATOM 0 HA LYS A 39 -7.400 -3.870 0.010 1.00 1.03 H new ATOM 0 HB2 LYS A 39 -6.625 -5.949 -2.015 1.00 1.02 H new ATOM 0 HB3 LYS A 39 -8.144 -6.264 -1.201 1.00 1.02 H new ATOM 0 HG2 LYS A 39 -8.670 -5.051 -3.188 1.00 1.13 H new ATOM 0 HG3 LYS A 39 -8.914 -3.953 -1.844 1.00 1.13 H new ATOM 0 HD2 LYS A 39 -6.646 -2.933 -2.335 1.00 2.45 H new ATOM 0 HD3 LYS A 39 -6.529 -3.963 -3.748 1.00 2.45 H new ATOM 0 HE2 LYS A 39 -8.726 -1.899 -3.225 1.00 3.33 H new ATOM 0 HE3 LYS A 39 -7.391 -1.702 -4.343 1.00 3.33 H new ATOM 0 HZ1 LYS A 39 -9.485 -2.377 -5.402 1.00 4.11 H new ATOM 0 HZ2 LYS A 39 -8.220 -3.474 -5.687 1.00 4.11 H new ATOM 0 HZ3 LYS A 39 -9.431 -3.848 -4.556 1.00 4.11 H new ATOM 650 N LYS A 40 -6.171 -6.276 1.683 1.00 1.11 N ATOM 651 CA LYS A 40 -6.333 -7.052 2.925 1.00 1.26 C ATOM 652 C LYS A 40 -6.166 -6.146 4.142 1.00 1.40 C ATOM 653 O LYS A 40 -6.995 -6.113 5.052 1.00 1.67 O ATOM 654 CB LYS A 40 -5.311 -8.202 3.006 1.00 1.30 C ATOM 655 CG LYS A 40 -5.323 -9.180 1.829 1.00 1.56 C ATOM 656 CD LYS A 40 -6.708 -9.662 1.408 1.00 1.46 C ATOM 657 CE LYS A 40 -7.304 -8.835 0.259 1.00 3.12 C ATOM 658 NZ LYS A 40 -8.335 -9.568 -0.508 1.00 3.27 N ATOM 0 H LYS A 40 -5.206 -6.232 1.354 1.00 1.11 H new ATOM 0 HA LYS A 40 -7.337 -7.477 2.917 1.00 1.26 H new ATOM 0 HB2 LYS A 40 -4.313 -7.772 3.088 1.00 1.30 H new ATOM 0 HB3 LYS A 40 -5.493 -8.762 3.923 1.00 1.30 H new ATOM 0 HG2 LYS A 40 -4.845 -8.702 0.974 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -4.716 -10.047 2.090 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -6.647 -10.707 1.103 1.00 1.46 H new ATOM 0 HD3 LYS A 40 -7.379 -9.619 2.266 1.00 1.46 H new ATOM 0 HE2 LYS A 40 -7.741 -7.923 0.664 1.00 3.12 H new ATOM 0 HE3 LYS A 40 -6.504 -8.532 -0.416 1.00 3.12 H new ATOM 0 HZ1 LYS A 40 -8.929 -8.890 -1.027 1.00 3.27 H new ATOM 0 HZ2 LYS A 40 -7.874 -10.211 -1.182 1.00 3.27 H new ATOM 0 HZ3 LYS A 40 -8.928 -10.118 0.145 1.00 3.27 H new ATOM 672 N GLU A 41 -5.032 -5.461 4.129 1.00 1.31 N ATOM 673 CA GLU A 41 -4.546 -4.576 5.197 1.00 1.56 C ATOM 674 C GLU A 41 -5.348 -3.272 5.311 1.00 1.48 C ATOM 675 O GLU A 41 -5.525 -2.779 6.426 1.00 1.72 O ATOM 676 CB GLU A 41 -3.038 -4.334 5.043 1.00 1.89 C ATOM 677 CG GLU A 41 -2.642 -3.561 3.778 1.00 3.32 C ATOM 678 CD GLU A 41 -2.349 -2.095 4.064 1.00 5.17 C ATOM 679 OE1 GLU A 41 -3.261 -1.408 4.570 1.00 5.93 O ATOM 680 OE2 GLU A 41 -1.204 -1.677 3.806 1.00 6.33 O ATOM 0 H GLU A 41 -4.389 -5.504 3.338 1.00 1.31 H new ATOM 0 HA GLU A 41 -4.709 -5.087 6.146 1.00 1.56 H new ATOM 0 HB2 GLU A 41 -2.680 -3.786 5.915 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -2.527 -5.297 5.040 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -1.762 -4.025 3.332 1.00 3.32 H new ATOM 0 HG3 GLU A 41 -3.446 -3.632 3.045 1.00 3.32 H new ATOM 687 N LEU A 42 -5.940 -2.793 4.210 1.00 1.27 N ATOM 688 CA LEU A 42 -6.971 -1.761 4.195 1.00 1.18 C ATOM 689 C LEU A 42 -8.257 -2.383 3.636 1.00 1.13 C ATOM 690 O LEU A 42 -8.259 -2.972 2.561 1.00 1.40 O ATOM 691 CB LEU A 42 -6.467 -0.558 3.363 1.00 1.31 C ATOM 692 CG LEU A 42 -6.474 0.764 4.150 1.00 1.39 C ATOM 693 CD1 LEU A 42 -5.816 1.871 3.316 1.00 1.83 C ATOM 694 CD2 LEU A 42 -7.902 1.185 4.521 1.00 2.15 C ATOM 0 H LEU A 42 -5.703 -3.128 3.276 1.00 1.27 H new ATOM 0 HA LEU A 42 -7.189 -1.385 5.195 1.00 1.18 H new ATOM 0 HB2 LEU A 42 -5.454 -0.762 3.016 1.00 1.31 H new ATOM 0 HB3 LEU A 42 -7.092 -0.450 2.476 1.00 1.31 H new ATOM 0 HG LEU A 42 -5.911 0.609 5.071 1.00 1.39 H new ATOM 0 HD11 LEU A 42 -5.824 2.804 3.879 1.00 1.83 H new ATOM 0 HD12 LEU A 42 -4.787 1.593 3.090 1.00 1.83 H new ATOM 0 HD13 LEU A 42 -6.369 2.003 2.386 1.00 1.83 H new ATOM 0 HD21 LEU A 42 -7.872 2.123 5.076 1.00 2.15 H new ATOM 0 HD22 LEU A 42 -8.489 1.320 3.613 1.00 2.15 H new ATOM 0 HD23 LEU A 42 -8.360 0.412 5.138 1.00 2.15 H new ATOM 706 N CYS A 43 -9.362 -2.291 4.384 1.00 1.39 N ATOM 707 CA CYS A 43 -10.582 -3.062 4.098 1.00 1.84 C ATOM 708 C CYS A 43 -11.869 -2.268 4.394 1.00 2.82 C ATOM 709 O CYS A 43 -12.637 -2.588 5.307 1.00 4.22 O ATOM 710 CB CYS A 43 -10.457 -4.415 4.824 1.00 2.76 C ATOM 711 SG CYS A 43 -11.811 -5.520 4.342 1.00 3.60 S ATOM 0 H CYS A 43 -9.438 -1.684 5.200 1.00 1.39 H new ATOM 0 HA CYS A 43 -10.675 -3.262 3.031 1.00 1.84 H new ATOM 0 HB2 CYS A 43 -9.499 -4.877 4.583 1.00 2.76 H new ATOM 0 HB3 CYS A 43 -10.473 -4.259 5.903 1.00 2.76 H new ATOM 0 HG CYS A 43 -11.687 -6.655 4.963 1.00 3.60 H new ATOM 717 N LEU A 44 -12.073 -1.183 3.641 1.00 2.69 N ATOM 718 CA LEU A 44 -13.203 -0.237 3.745 1.00 3.80 C ATOM 719 C LEU A 44 -14.517 -0.785 3.141 1.00 4.53 C ATOM 720 O LEU A 44 -15.516 -0.077 3.084 1.00 5.52 O ATOM 721 CB LEU A 44 -12.781 1.059 3.007 1.00 4.05 C ATOM 722 CG LEU A 44 -11.624 1.838 3.671 1.00 3.87 C ATOM 723 CD1 LEU A 44 -10.862 2.742 2.691 1.00 3.81 C ATOM 724 CD2 LEU A 44 -12.105 2.642 4.885 1.00 5.30 C ATOM 0 H LEU A 44 -11.422 -0.921 2.900 1.00 2.69 H new ATOM 0 HA LEU A 44 -13.414 -0.059 4.799 1.00 3.80 H new ATOM 0 HB2 LEU A 44 -12.489 0.801 1.989 1.00 4.05 H new ATOM 0 HB3 LEU A 44 -13.647 1.716 2.934 1.00 4.05 H new ATOM 0 HG LEU A 44 -10.919 1.081 4.015 1.00 3.87 H new ATOM 0 HD11 LEU A 44 -10.063 3.261 3.221 1.00 3.81 H new ATOM 0 HD12 LEU A 44 -10.434 2.135 1.893 1.00 3.81 H new ATOM 0 HD13 LEU A 44 -11.547 3.473 2.263 1.00 3.81 H new ATOM 0 HD21 LEU A 44 -11.263 3.176 5.325 1.00 5.30 H new ATOM 0 HD22 LEU A 44 -12.864 3.358 4.570 1.00 5.30 H new ATOM 0 HD23 LEU A 44 -12.531 1.964 5.625 1.00 5.30 H new ATOM 736 N GLY A 45 -14.483 -2.009 2.599 1.00 4.25 N ATOM 737 CA GLY A 45 -15.047 -2.262 1.276 1.00 4.25 C ATOM 738 C GLY A 45 -13.928 -1.991 0.285 1.00 3.59 C ATOM 739 O GLY A 45 -12.748 -2.166 0.604 1.00 4.80 O ATOM 0 H GLY A 45 -14.076 -2.827 3.052 1.00 4.25 H new ATOM 0 HA2 GLY A 45 -15.401 -3.289 1.193 1.00 4.25 H new ATOM 0 HA3 GLY A 45 -15.902 -1.613 1.086 1.00 4.25 H new ATOM 742 N GLU A 46 -14.291 -1.438 -0.860 1.00 3.06 N ATOM 743 CA GLU A 46 -13.419 -0.517 -1.564 1.00 3.83 C ATOM 744 C GLU A 46 -14.297 0.512 -2.269 1.00 3.62 C ATOM 745 O GLU A 46 -15.402 0.228 -2.725 1.00 4.39 O ATOM 746 CB GLU A 46 -12.385 -1.207 -2.468 1.00 5.61 C ATOM 747 CG GLU A 46 -12.895 -2.427 -3.235 1.00 6.40 C ATOM 748 CD GLU A 46 -11.757 -2.989 -4.085 1.00 7.42 C ATOM 749 OE1 GLU A 46 -11.395 -2.355 -5.101 1.00 8.31 O ATOM 750 OE2 GLU A 46 -11.091 -3.963 -3.670 1.00 7.68 O ATOM 0 H GLU A 46 -15.184 -1.612 -1.321 1.00 3.06 H new ATOM 0 HA GLU A 46 -12.781 0.001 -0.848 1.00 3.83 H new ATOM 0 HB2 GLU A 46 -12.011 -0.477 -3.186 1.00 5.61 H new ATOM 0 HB3 GLU A 46 -11.538 -1.513 -1.854 1.00 5.61 H new ATOM 0 HG2 GLU A 46 -13.256 -3.185 -2.540 1.00 6.40 H new ATOM 0 HG3 GLU A 46 -13.737 -2.149 -3.869 1.00 6.40 H new ATOM 757 N MET A 47 -13.821 1.748 -2.226 1.00 3.05 N ATOM 758 CA MET A 47 -14.513 2.957 -2.657 1.00 3.15 C ATOM 759 C MET A 47 -13.661 3.695 -3.692 1.00 3.00 C ATOM 760 O MET A 47 -12.510 3.346 -3.928 1.00 4.15 O ATOM 761 CB MET A 47 -14.748 3.865 -1.443 1.00 3.08 C ATOM 762 CG MET A 47 -15.570 3.204 -0.330 1.00 3.52 C ATOM 763 SD MET A 47 -15.625 4.202 1.177 1.00 3.72 S ATOM 764 CE MET A 47 -13.860 4.142 1.577 1.00 2.83 C ATOM 0 H MET A 47 -12.887 1.947 -1.869 1.00 3.05 H new ATOM 0 HA MET A 47 -15.470 2.690 -3.105 1.00 3.15 H new ATOM 0 HB2 MET A 47 -13.784 4.172 -1.037 1.00 3.08 H new ATOM 0 HB3 MET A 47 -15.258 4.771 -1.771 1.00 3.08 H new ATOM 0 HG2 MET A 47 -16.586 3.033 -0.686 1.00 3.52 H new ATOM 0 HG3 MET A 47 -15.144 2.227 -0.100 1.00 3.52 H new ATOM 0 HE1 MET A 47 -13.730 4.187 2.658 1.00 2.83 H new ATOM 0 HE2 MET A 47 -13.433 3.213 1.199 1.00 2.83 H new ATOM 0 HE3 MET A 47 -13.353 4.989 1.115 1.00 2.83 H new ATOM 774 N LYS A 48 -14.189 4.807 -4.206 1.00 2.66 N ATOM 775 CA LYS A 48 -13.435 5.879 -4.817 1.00 2.31 C ATOM 776 C LYS A 48 -12.610 5.516 -6.068 1.00 2.70 C ATOM 777 O LYS A 48 -11.405 5.291 -6.012 1.00 3.56 O ATOM 778 CB LYS A 48 -12.670 6.568 -3.680 1.00 2.27 C ATOM 779 CG LYS A 48 -12.793 8.074 -3.834 1.00 3.19 C ATOM 780 CD LYS A 48 -12.058 8.623 -5.056 1.00 4.43 C ATOM 781 CE LYS A 48 -10.572 8.230 -5.142 1.00 4.92 C ATOM 782 NZ LYS A 48 -9.917 8.800 -6.341 1.00 6.43 N ATOM 0 H LYS A 48 -15.194 4.983 -4.203 1.00 2.66 H new ATOM 0 HA LYS A 48 -14.120 6.584 -5.288 1.00 2.31 H new ATOM 0 HB2 LYS A 48 -13.070 6.256 -2.715 1.00 2.27 H new ATOM 0 HB3 LYS A 48 -11.621 6.273 -3.701 1.00 2.27 H new ATOM 0 HG2 LYS A 48 -13.848 8.339 -3.905 1.00 3.19 H new ATOM 0 HG3 LYS A 48 -12.402 8.556 -2.938 1.00 3.19 H new ATOM 0 HD2 LYS A 48 -12.565 8.274 -5.955 1.00 4.43 H new ATOM 0 HD3 LYS A 48 -12.133 9.710 -5.050 1.00 4.43 H new ATOM 0 HE2 LYS A 48 -10.053 8.574 -4.247 1.00 4.92 H new ATOM 0 HE3 LYS A 48 -10.485 7.144 -5.163 1.00 4.92 H new ATOM 0 HZ1 LYS A 48 -8.994 8.342 -6.483 1.00 6.43 H new ATOM 0 HZ2 LYS A 48 -10.517 8.636 -7.175 1.00 6.43 H new ATOM 0 HZ3 LYS A 48 -9.780 9.822 -6.209 1.00 6.43 H new ATOM 796 N GLU A 49 -13.295 5.606 -7.206 1.00 2.83 N ATOM 797 CA GLU A 49 -12.762 5.474 -8.571 1.00 3.35 C ATOM 798 C GLU A 49 -11.679 6.536 -8.872 1.00 3.28 C ATOM 799 O GLU A 49 -11.566 7.555 -8.182 1.00 4.24 O ATOM 800 CB GLU A 49 -13.965 5.580 -9.550 1.00 4.17 C ATOM 801 CG GLU A 49 -13.889 4.819 -10.886 1.00 5.67 C ATOM 802 CD GLU A 49 -12.901 5.428 -11.874 1.00 6.58 C ATOM 803 OE1 GLU A 49 -13.130 6.572 -12.323 1.00 6.95 O ATOM 804 OE2 GLU A 49 -11.815 4.836 -12.032 1.00 7.28 O ATOM 0 H GLU A 49 -14.299 5.784 -7.206 1.00 2.83 H new ATOM 0 HA GLU A 49 -12.265 4.511 -8.689 1.00 3.35 H new ATOM 0 HB2 GLU A 49 -14.854 5.236 -9.022 1.00 4.17 H new ATOM 0 HB3 GLU A 49 -14.117 6.635 -9.777 1.00 4.17 H new ATOM 0 HG2 GLU A 49 -13.606 3.785 -10.691 1.00 5.67 H new ATOM 0 HG3 GLU A 49 -14.880 4.798 -11.340 1.00 5.67 H new ATOM 811 N SER A 50 -10.912 6.304 -9.933 1.00 3.14 N ATOM 812 CA SER A 50 -10.306 7.255 -10.863 1.00 3.47 C ATOM 813 C SER A 50 -8.806 7.481 -10.654 1.00 3.32 C ATOM 814 O SER A 50 -8.348 7.812 -9.556 1.00 3.63 O ATOM 815 CB SER A 50 -11.102 8.553 -11.011 1.00 3.79 C ATOM 816 OG SER A 50 -11.577 8.660 -12.336 1.00 4.49 O ATOM 0 H SER A 50 -10.674 5.346 -10.190 1.00 3.14 H new ATOM 0 HA SER A 50 -10.370 6.760 -11.832 1.00 3.47 H new ATOM 0 HB2 SER A 50 -11.937 8.563 -10.311 1.00 3.79 H new ATOM 0 HB3 SER A 50 -10.473 9.409 -10.768 1.00 3.79 H new ATOM 0 HG SER A 50 -12.200 7.926 -12.521 1.00 4.49 H new ATOM 822 N SER A 51 -8.029 7.223 -11.715 1.00 3.53 N ATOM 823 CA SER A 51 -6.553 7.121 -11.756 1.00 3.60 C ATOM 824 C SER A 51 -6.001 5.946 -10.931 1.00 3.26 C ATOM 825 O SER A 51 -5.048 5.301 -11.358 1.00 3.38 O ATOM 826 CB SER A 51 -5.868 8.416 -11.304 1.00 4.25 C ATOM 827 OG SER A 51 -4.483 8.370 -11.605 1.00 5.54 O ATOM 0 H SER A 51 -8.439 7.068 -12.636 1.00 3.53 H new ATOM 0 HA SER A 51 -6.319 6.938 -12.805 1.00 3.60 H new ATOM 0 HB2 SER A 51 -6.327 9.271 -11.801 1.00 4.25 H new ATOM 0 HB3 SER A 51 -6.010 8.556 -10.232 1.00 4.25 H new ATOM 0 HG SER A 51 -4.057 9.203 -11.313 1.00 5.54 H new ATOM 833 N ILE A 52 -6.587 5.661 -9.766 1.00 3.07 N ATOM 834 CA ILE A 52 -6.185 4.561 -8.872 1.00 2.71 C ATOM 835 C ILE A 52 -6.474 3.177 -9.454 1.00 2.12 C ATOM 836 O ILE A 52 -5.872 2.203 -9.009 1.00 1.69 O ATOM 837 CB ILE A 52 -6.770 4.737 -7.452 1.00 3.04 C ATOM 838 CG1 ILE A 52 -8.316 4.680 -7.343 1.00 3.53 C ATOM 839 CG2 ILE A 52 -6.258 6.062 -6.862 1.00 3.96 C ATOM 840 CD1 ILE A 52 -8.893 3.258 -7.284 1.00 3.38 C ATOM 0 H ILE A 52 -7.374 6.199 -9.405 1.00 3.07 H new ATOM 0 HA ILE A 52 -5.100 4.619 -8.783 1.00 2.71 H new ATOM 0 HB ILE A 52 -6.423 3.872 -6.887 1.00 3.04 H new ATOM 0 HG12 ILE A 52 -8.626 5.223 -6.450 1.00 3.53 H new ATOM 0 HG13 ILE A 52 -8.748 5.200 -8.198 1.00 3.53 H new ATOM 0 HG21 ILE A 52 -6.665 6.196 -5.860 1.00 3.96 H new ATOM 0 HG22 ILE A 52 -5.169 6.041 -6.811 1.00 3.96 H new ATOM 0 HG23 ILE A 52 -6.576 6.890 -7.496 1.00 3.96 H new ATOM 0 HD11 ILE A 52 -9.979 3.309 -7.209 1.00 3.38 H new ATOM 0 HD12 ILE A 52 -8.617 2.716 -8.188 1.00 3.38 H new ATOM 0 HD13 ILE A 52 -8.493 2.739 -6.413 1.00 3.38 H new ATOM 852 N ASP A 53 -7.354 3.098 -10.452 1.00 2.20 N ATOM 853 CA ASP A 53 -7.566 1.899 -11.260 1.00 1.98 C ATOM 854 C ASP A 53 -6.304 1.517 -12.050 1.00 1.67 C ATOM 855 O ASP A 53 -5.974 0.334 -12.119 1.00 1.35 O ATOM 856 CB ASP A 53 -8.748 2.112 -12.214 1.00 2.66 C ATOM 857 CG ASP A 53 -8.993 0.834 -13.022 1.00 3.25 C ATOM 858 OD1 ASP A 53 -9.442 -0.175 -12.425 1.00 3.04 O ATOM 859 OD2 ASP A 53 -8.634 0.776 -14.227 1.00 4.46 O ATOM 0 H ASP A 53 -7.950 3.880 -10.726 1.00 2.20 H new ATOM 0 HA ASP A 53 -7.793 1.075 -10.584 1.00 1.98 H new ATOM 0 HB2 ASP A 53 -9.642 2.374 -11.648 1.00 2.66 H new ATOM 0 HB3 ASP A 53 -8.541 2.945 -12.886 1.00 2.66 H new ATOM 864 N ASP A 54 -5.561 2.492 -12.593 1.00 1.97 N ATOM 865 CA ASP A 54 -4.314 2.195 -13.302 1.00 2.02 C ATOM 866 C ASP A 54 -3.132 2.002 -12.355 1.00 1.70 C ATOM 867 O ASP A 54 -2.220 1.260 -12.702 1.00 1.72 O ATOM 868 CB ASP A 54 -3.964 3.219 -14.385 1.00 2.75 C ATOM 869 CG ASP A 54 -2.915 2.610 -15.337 1.00 3.12 C ATOM 870 OD1 ASP A 54 -3.255 1.726 -16.158 1.00 3.74 O ATOM 871 OD2 ASP A 54 -1.705 2.903 -15.187 1.00 3.53 O ATOM 0 H ASP A 54 -5.801 3.483 -12.554 1.00 1.97 H new ATOM 0 HA ASP A 54 -4.507 1.248 -13.806 1.00 2.02 H new ATOM 0 HB2 ASP A 54 -4.859 3.498 -14.941 1.00 2.75 H new ATOM 0 HB3 ASP A 54 -3.574 4.129 -13.930 1.00 2.75 H new ATOM 876 N LEU A 55 -3.151 2.567 -11.140 1.00 1.52 N ATOM 877 CA LEU A 55 -2.231 2.131 -10.075 1.00 1.17 C ATOM 878 C LEU A 55 -2.400 0.628 -9.869 1.00 0.97 C ATOM 879 O LEU A 55 -1.461 -0.145 -10.043 1.00 0.96 O ATOM 880 CB LEU A 55 -2.549 2.857 -8.758 1.00 0.96 C ATOM 881 CG LEU A 55 -1.884 4.198 -8.479 1.00 1.50 C ATOM 882 CD1 LEU A 55 -0.445 4.000 -7.974 1.00 3.12 C ATOM 883 CD2 LEU A 55 -1.904 5.187 -9.648 1.00 1.11 C ATOM 0 H LEU A 55 -3.785 3.319 -10.870 1.00 1.52 H new ATOM 0 HA LEU A 55 -1.208 2.366 -10.367 1.00 1.17 H new ATOM 0 HB2 LEU A 55 -3.628 3.009 -8.717 1.00 0.96 H new ATOM 0 HB3 LEU A 55 -2.291 2.184 -7.940 1.00 0.96 H new ATOM 0 HG LEU A 55 -2.495 4.656 -7.701 1.00 1.50 H new ATOM 0 HD11 LEU A 55 0.010 4.972 -7.781 1.00 3.12 H new ATOM 0 HD12 LEU A 55 -0.460 3.417 -7.053 1.00 3.12 H new ATOM 0 HD13 LEU A 55 0.136 3.471 -8.729 1.00 3.12 H new ATOM 0 HD21 LEU A 55 -1.407 6.111 -9.352 1.00 1.11 H new ATOM 0 HD22 LEU A 55 -1.383 4.752 -10.501 1.00 1.11 H new ATOM 0 HD23 LEU A 55 -2.936 5.403 -9.925 1.00 1.11 H new ATOM 895 N MET A 56 -3.631 0.224 -9.555 1.00 0.95 N ATOM 896 CA MET A 56 -4.040 -1.187 -9.432 1.00 0.92 C ATOM 897 C MET A 56 -3.631 -2.045 -10.643 1.00 0.90 C ATOM 898 O MET A 56 -2.985 -3.079 -10.464 1.00 1.03 O ATOM 899 CB MET A 56 -5.553 -1.267 -9.154 1.00 1.21 C ATOM 900 CG MET A 56 -5.891 -1.081 -7.670 1.00 1.18 C ATOM 901 SD MET A 56 -6.022 -2.616 -6.704 1.00 1.62 S ATOM 902 CE MET A 56 -4.296 -3.137 -6.532 1.00 1.83 C ATOM 0 H MET A 56 -4.393 0.878 -9.374 1.00 0.95 H new ATOM 0 HA MET A 56 -3.501 -1.614 -8.586 1.00 0.92 H new ATOM 0 HB2 MET A 56 -6.067 -0.504 -9.738 1.00 1.21 H new ATOM 0 HB3 MET A 56 -5.930 -2.233 -9.490 1.00 1.21 H new ATOM 0 HG2 MET A 56 -5.126 -0.450 -7.217 1.00 1.18 H new ATOM 0 HG3 MET A 56 -6.835 -0.542 -7.594 1.00 1.18 H new ATOM 0 HE1 MET A 56 -4.200 -3.801 -5.673 1.00 1.83 H new ATOM 0 HE2 MET A 56 -3.983 -3.663 -7.434 1.00 1.83 H new ATOM 0 HE3 MET A 56 -3.664 -2.261 -6.385 1.00 1.83 H new ATOM 912 N LYS A 57 -3.938 -1.608 -11.873 1.00 0.96 N ATOM 913 CA LYS A 57 -3.515 -2.309 -13.097 1.00 1.14 C ATOM 914 C LYS A 57 -1.997 -2.382 -13.225 1.00 1.36 C ATOM 915 O LYS A 57 -1.479 -3.393 -13.665 1.00 1.71 O ATOM 916 CB LYS A 57 -4.072 -1.664 -14.390 1.00 1.57 C ATOM 917 CG LYS A 57 -5.592 -1.671 -14.636 1.00 1.53 C ATOM 918 CD LYS A 57 -6.323 -2.771 -13.866 1.00 2.45 C ATOM 919 CE LYS A 57 -7.730 -3.053 -14.420 1.00 3.17 C ATOM 920 NZ LYS A 57 -8.635 -1.893 -14.282 1.00 4.18 N ATOM 0 H LYS A 57 -4.483 -0.764 -12.048 1.00 0.96 H new ATOM 0 HA LYS A 57 -3.929 -3.312 -12.993 1.00 1.14 H new ATOM 0 HB2 LYS A 57 -3.741 -0.626 -14.408 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -3.600 -2.164 -15.236 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -6.004 -0.703 -14.352 1.00 1.53 H new ATOM 0 HG3 LYS A 57 -5.780 -1.797 -15.702 1.00 1.53 H new ATOM 0 HD2 LYS A 57 -5.733 -3.687 -13.902 1.00 2.45 H new ATOM 0 HD3 LYS A 57 -6.401 -2.484 -12.818 1.00 2.45 H new ATOM 0 HE2 LYS A 57 -7.654 -3.328 -15.472 1.00 3.17 H new ATOM 0 HE3 LYS A 57 -8.158 -3.908 -13.897 1.00 3.17 H new ATOM 0 HZ1 LYS A 57 -9.480 -2.040 -14.870 1.00 4.18 H new ATOM 0 HZ2 LYS A 57 -8.919 -1.791 -13.287 1.00 4.18 H new ATOM 0 HZ3 LYS A 57 -8.143 -1.030 -14.592 1.00 4.18 H new ATOM 934 N SER A 58 -1.283 -1.326 -12.857 1.00 1.32 N ATOM 935 CA SER A 58 0.183 -1.211 -12.980 1.00 1.54 C ATOM 936 C SER A 58 0.988 -2.226 -12.173 1.00 1.53 C ATOM 937 O SER A 58 2.123 -2.522 -12.540 1.00 1.76 O ATOM 938 CB SER A 58 0.668 0.216 -12.712 1.00 1.70 C ATOM 939 OG SER A 58 0.270 1.039 -13.795 1.00 1.62 O ATOM 0 H SER A 58 -1.712 -0.495 -12.451 1.00 1.32 H new ATOM 0 HA SER A 58 0.381 -1.462 -14.022 1.00 1.54 H new ATOM 0 HB2 SER A 58 0.247 0.590 -11.778 1.00 1.70 H new ATOM 0 HB3 SER A 58 1.752 0.233 -12.602 1.00 1.70 H new ATOM 0 HG SER A 58 -0.666 1.304 -13.678 1.00 1.62 H new ATOM 945 N LEU A 59 0.397 -2.830 -11.139 1.00 1.37 N ATOM 946 CA LEU A 59 1.019 -3.974 -10.488 1.00 1.40 C ATOM 947 C LEU A 59 0.961 -5.188 -11.422 1.00 1.42 C ATOM 948 O LEU A 59 1.988 -5.750 -11.794 1.00 1.44 O ATOM 949 CB LEU A 59 0.353 -4.199 -9.116 1.00 1.36 C ATOM 950 CG LEU A 59 0.523 -3.004 -8.149 1.00 1.34 C ATOM 951 CD1 LEU A 59 -0.180 -3.302 -6.823 1.00 1.32 C ATOM 952 CD2 LEU A 59 2.001 -2.669 -7.876 1.00 1.60 C ATOM 0 H LEU A 59 -0.499 -2.547 -10.742 1.00 1.37 H new ATOM 0 HA LEU A 59 2.076 -3.795 -10.292 1.00 1.40 H new ATOM 0 HB2 LEU A 59 -0.710 -4.390 -9.263 1.00 1.36 H new ATOM 0 HB3 LEU A 59 0.777 -5.092 -8.657 1.00 1.36 H new ATOM 0 HG LEU A 59 0.072 -2.138 -8.633 1.00 1.34 H new ATOM 0 HD11 LEU A 59 -0.056 -2.456 -6.147 1.00 1.32 H new ATOM 0 HD12 LEU A 59 -1.242 -3.469 -7.004 1.00 1.32 H new ATOM 0 HD13 LEU A 59 0.256 -4.193 -6.372 1.00 1.32 H new ATOM 0 HD21 LEU A 59 2.062 -1.823 -7.191 1.00 1.60 H new ATOM 0 HD22 LEU A 59 2.493 -3.533 -7.430 1.00 1.60 H new ATOM 0 HD23 LEU A 59 2.495 -2.414 -8.813 1.00 1.60 H new ATOM 964 N ASP A 60 -0.231 -5.535 -11.892 1.00 1.47 N ATOM 965 CA ASP A 60 -0.484 -6.635 -12.826 1.00 1.56 C ATOM 966 C ASP A 60 0.169 -6.441 -14.219 1.00 1.49 C ATOM 967 O ASP A 60 0.544 -7.408 -14.872 1.00 1.74 O ATOM 968 CB ASP A 60 -2.009 -6.826 -12.917 1.00 1.72 C ATOM 969 CG ASP A 60 -2.386 -8.278 -12.650 1.00 2.30 C ATOM 970 OD1 ASP A 60 -2.225 -8.724 -11.490 1.00 3.16 O ATOM 971 OD2 ASP A 60 -2.775 -9.008 -13.586 1.00 2.92 O ATOM 0 H ASP A 60 -1.083 -5.042 -11.625 1.00 1.47 H new ATOM 0 HA ASP A 60 -0.008 -7.537 -12.442 1.00 1.56 H new ATOM 0 HB2 ASP A 60 -2.506 -6.177 -12.195 1.00 1.72 H new ATOM 0 HB3 ASP A 60 -2.359 -6.530 -13.906 1.00 1.72 H new ATOM 976 N LYS A 61 0.400 -5.190 -14.634 1.00 1.34 N ATOM 977 CA LYS A 61 1.088 -4.773 -15.868 1.00 1.35 C ATOM 978 C LYS A 61 2.537 -5.304 -15.980 1.00 1.38 C ATOM 979 O LYS A 61 3.123 -5.295 -17.064 1.00 1.71 O ATOM 980 CB LYS A 61 0.981 -3.243 -15.936 1.00 1.38 C ATOM 981 CG LYS A 61 1.144 -2.613 -17.333 1.00 1.75 C ATOM 982 CD LYS A 61 0.110 -1.495 -17.604 1.00 1.94 C ATOM 983 CE LYS A 61 -0.010 -0.529 -16.414 1.00 2.72 C ATOM 984 NZ LYS A 61 -0.731 0.747 -16.694 1.00 3.76 N ATOM 0 H LYS A 61 0.093 -4.388 -14.084 1.00 1.34 H new ATOM 0 HA LYS A 61 0.606 -5.220 -16.738 1.00 1.35 H new ATOM 0 HB2 LYS A 61 0.010 -2.949 -15.538 1.00 1.38 H new ATOM 0 HB3 LYS A 61 1.737 -2.817 -15.277 1.00 1.38 H new ATOM 0 HG2 LYS A 61 2.150 -2.204 -17.428 1.00 1.75 H new ATOM 0 HG3 LYS A 61 1.042 -3.389 -18.092 1.00 1.75 H new ATOM 0 HD2 LYS A 61 0.400 -0.939 -18.496 1.00 1.94 H new ATOM 0 HD3 LYS A 61 -0.863 -1.941 -17.810 1.00 1.94 H new ATOM 0 HE2 LYS A 61 -0.521 -1.044 -15.600 1.00 2.72 H new ATOM 0 HE3 LYS A 61 0.993 -0.290 -16.060 1.00 2.72 H new ATOM 0 HZ1 LYS A 61 -0.599 1.402 -15.897 1.00 3.76 H new ATOM 0 HZ2 LYS A 61 -0.352 1.177 -17.562 1.00 3.76 H new ATOM 0 HZ3 LYS A 61 -1.745 0.553 -16.818 1.00 3.76 H new ATOM 998 N ASN A 62 3.120 -5.748 -14.860 1.00 1.31 N ATOM 999 CA ASN A 62 4.344 -6.571 -14.829 1.00 1.48 C ATOM 1000 C ASN A 62 4.115 -7.901 -14.088 1.00 1.49 C ATOM 1001 O ASN A 62 4.682 -8.916 -14.470 1.00 2.34 O ATOM 1002 CB ASN A 62 5.476 -5.827 -14.106 1.00 1.86 C ATOM 1003 CG ASN A 62 5.860 -4.456 -14.647 1.00 2.35 C ATOM 1004 OD1 ASN A 62 6.428 -3.662 -13.915 1.00 3.55 O ATOM 1005 ND2 ASN A 62 5.598 -4.129 -15.897 1.00 2.48 N ATOM 0 H ASN A 62 2.751 -5.544 -13.931 1.00 1.31 H new ATOM 0 HA ASN A 62 4.613 -6.770 -15.866 1.00 1.48 H new ATOM 0 HB2 ASN A 62 5.191 -5.711 -13.060 1.00 1.86 H new ATOM 0 HB3 ASN A 62 6.364 -6.459 -14.126 1.00 1.86 H new ATOM 0 HD21 ASN A 62 5.870 -3.212 -16.252 1.00 2.48 H new ATOM 0 HD22 ASN A 62 5.123 -4.793 -16.509 1.00 2.48 H new ATOM 1012 N SER A 63 3.321 -7.872 -13.015 1.00 1.17 N ATOM 1013 CA SER A 63 2.797 -8.996 -12.230 1.00 1.26 C ATOM 1014 C SER A 63 3.856 -9.716 -11.393 1.00 1.11 C ATOM 1015 O SER A 63 3.839 -9.676 -10.166 1.00 1.21 O ATOM 1016 CB SER A 63 2.058 -9.986 -13.132 1.00 1.67 C ATOM 1017 OG SER A 63 1.369 -10.954 -12.370 1.00 2.51 O ATOM 0 H SER A 63 2.998 -6.981 -12.638 1.00 1.17 H new ATOM 0 HA SER A 63 2.097 -8.561 -11.516 1.00 1.26 H new ATOM 0 HB2 SER A 63 1.353 -9.448 -13.765 1.00 1.67 H new ATOM 0 HB3 SER A 63 2.769 -10.479 -13.794 1.00 1.67 H new ATOM 0 HG SER A 63 2.014 -11.571 -11.964 1.00 2.51 H new ATOM 1023 N ASP A 64 4.805 -10.378 -12.038 1.00 1.14 N ATOM 1024 CA ASP A 64 5.478 -11.542 -11.469 1.00 1.26 C ATOM 1025 C ASP A 64 6.919 -11.155 -11.163 1.00 1.22 C ATOM 1026 O ASP A 64 7.873 -11.885 -11.427 1.00 1.48 O ATOM 1027 CB ASP A 64 5.307 -12.734 -12.422 1.00 1.63 C ATOM 1028 CG ASP A 64 3.825 -13.015 -12.727 1.00 2.27 C ATOM 1029 OD1 ASP A 64 2.985 -12.881 -11.802 1.00 3.10 O ATOM 1030 OD2 ASP A 64 3.506 -13.270 -13.906 1.00 3.00 O ATOM 0 H ASP A 64 5.132 -10.126 -12.971 1.00 1.14 H new ATOM 0 HA ASP A 64 5.041 -11.863 -10.523 1.00 1.26 H new ATOM 0 HB2 ASP A 64 5.838 -12.534 -13.353 1.00 1.63 H new ATOM 0 HB3 ASP A 64 5.761 -13.621 -11.980 1.00 1.63 H new ATOM 1035 N GLN A 65 7.070 -9.917 -10.699 1.00 1.21 N ATOM 1036 CA GLN A 65 8.343 -9.245 -10.552 1.00 1.09 C ATOM 1037 C GLN A 65 8.406 -8.614 -9.176 1.00 0.83 C ATOM 1038 O GLN A 65 7.361 -8.225 -8.655 1.00 0.77 O ATOM 1039 CB GLN A 65 8.398 -8.137 -11.597 1.00 1.21 C ATOM 1040 CG GLN A 65 8.464 -8.649 -13.052 1.00 2.02 C ATOM 1041 CD GLN A 65 9.766 -9.395 -13.356 1.00 3.84 C ATOM 1042 OE1 GLN A 65 10.731 -8.807 -13.812 1.00 4.73 O ATOM 1043 NE2 GLN A 65 9.877 -10.681 -13.090 1.00 5.18 N ATOM 0 H GLN A 65 6.280 -9.342 -10.408 1.00 1.21 H new ATOM 0 HA GLN A 65 9.169 -9.945 -10.677 1.00 1.09 H new ATOM 0 HB2 GLN A 65 7.519 -7.502 -11.485 1.00 1.21 H new ATOM 0 HB3 GLN A 65 9.269 -7.511 -11.403 1.00 1.21 H new ATOM 0 HG2 GLN A 65 7.618 -9.311 -13.239 1.00 2.02 H new ATOM 0 HG3 GLN A 65 8.365 -7.805 -13.735 1.00 2.02 H new ATOM 0 HE21 GLN A 65 9.082 -11.193 -12.708 1.00 5.18 H new ATOM 0 HE22 GLN A 65 10.758 -11.164 -13.266 1.00 5.18 H new ATOM 1052 N GLU A 66 9.606 -8.485 -8.605 1.00 0.82 N ATOM 1053 CA GLU A 66 9.717 -7.962 -7.254 1.00 0.74 C ATOM 1054 C GLU A 66 9.720 -6.434 -7.193 1.00 0.76 C ATOM 1055 O GLU A 66 10.239 -5.738 -8.067 1.00 0.93 O ATOM 1056 CB GLU A 66 10.906 -8.549 -6.473 1.00 0.83 C ATOM 1057 CG GLU A 66 10.714 -10.039 -6.141 1.00 1.02 C ATOM 1058 CD GLU A 66 11.734 -10.585 -5.132 1.00 1.68 C ATOM 1059 OE1 GLU A 66 12.466 -9.785 -4.504 1.00 2.47 O ATOM 1060 OE2 GLU A 66 11.738 -11.823 -4.933 1.00 2.58 O ATOM 0 H GLU A 66 10.491 -8.730 -9.049 1.00 0.82 H new ATOM 0 HA GLU A 66 8.808 -8.298 -6.756 1.00 0.74 H new ATOM 0 HB2 GLU A 66 11.818 -8.425 -7.058 1.00 0.83 H new ATOM 0 HB3 GLU A 66 11.042 -7.988 -5.548 1.00 0.83 H new ATOM 0 HG2 GLU A 66 9.710 -10.187 -5.744 1.00 1.02 H new ATOM 0 HG3 GLU A 66 10.782 -10.619 -7.062 1.00 1.02 H new ATOM 1067 N ILE A 67 9.138 -5.943 -6.100 1.00 0.68 N ATOM 1068 CA ILE A 67 9.137 -4.558 -5.634 1.00 0.69 C ATOM 1069 C ILE A 67 9.498 -4.483 -4.160 1.00 0.63 C ATOM 1070 O ILE A 67 9.319 -5.441 -3.413 1.00 0.61 O ATOM 1071 CB ILE A 67 7.773 -3.864 -5.855 1.00 0.84 C ATOM 1072 CG1 ILE A 67 6.550 -4.808 -5.889 1.00 1.19 C ATOM 1073 CG2 ILE A 67 7.894 -3.028 -7.120 1.00 1.76 C ATOM 1074 CD1 ILE A 67 5.233 -4.072 -6.145 1.00 1.49 C ATOM 0 H ILE A 67 8.615 -6.550 -5.469 1.00 0.68 H new ATOM 0 HA ILE A 67 9.887 -4.034 -6.226 1.00 0.69 H new ATOM 0 HB ILE A 67 7.565 -3.240 -4.986 1.00 0.84 H new ATOM 0 HG12 ILE A 67 6.698 -5.557 -6.667 1.00 1.19 H new ATOM 0 HG13 ILE A 67 6.483 -5.341 -4.941 1.00 1.19 H new ATOM 0 HG21 ILE A 67 6.949 -2.520 -7.312 1.00 1.76 H new ATOM 0 HG22 ILE A 67 8.684 -2.288 -6.993 1.00 1.76 H new ATOM 0 HG23 ILE A 67 8.135 -3.676 -7.963 1.00 1.76 H new ATOM 0 HD11 ILE A 67 4.412 -4.789 -6.157 1.00 1.49 H new ATOM 0 HD12 ILE A 67 5.065 -3.341 -5.354 1.00 1.49 H new ATOM 0 HD13 ILE A 67 5.283 -3.561 -7.106 1.00 1.49 H new ATOM 1086 N ASP A 68 9.982 -3.314 -3.753 1.00 0.70 N ATOM 1087 CA ASP A 68 10.446 -3.006 -2.408 1.00 0.72 C ATOM 1088 C ASP A 68 9.407 -2.242 -1.561 1.00 0.72 C ATOM 1089 O ASP A 68 8.308 -1.891 -2.002 1.00 1.04 O ATOM 1090 CB ASP A 68 11.772 -2.229 -2.540 1.00 0.90 C ATOM 1091 CG ASP A 68 11.596 -0.713 -2.715 1.00 1.10 C ATOM 1092 OD1 ASP A 68 10.699 -0.272 -3.473 1.00 2.16 O ATOM 1093 OD2 ASP A 68 12.299 0.026 -1.990 1.00 1.91 O ATOM 0 H ASP A 68 10.065 -2.517 -4.385 1.00 0.70 H new ATOM 0 HA ASP A 68 10.603 -3.937 -1.863 1.00 0.72 H new ATOM 0 HB2 ASP A 68 12.379 -2.414 -1.653 1.00 0.90 H new ATOM 0 HB3 ASP A 68 12.327 -2.620 -3.393 1.00 0.90 H new ATOM 1098 N PHE A 69 9.817 -1.920 -0.331 1.00 0.63 N ATOM 1099 CA PHE A 69 9.067 -1.095 0.613 1.00 0.65 C ATOM 1100 C PHE A 69 8.696 0.289 0.043 1.00 0.60 C ATOM 1101 O PHE A 69 7.730 0.899 0.498 1.00 0.62 O ATOM 1102 CB PHE A 69 9.914 -0.961 1.898 1.00 0.81 C ATOM 1103 CG PHE A 69 9.240 -0.530 3.198 1.00 1.28 C ATOM 1104 CD1 PHE A 69 7.842 -0.374 3.326 1.00 2.61 C ATOM 1105 CD2 PHE A 69 10.056 -0.290 4.322 1.00 2.21 C ATOM 1106 CE1 PHE A 69 7.275 0.036 4.546 1.00 3.32 C ATOM 1107 CE2 PHE A 69 9.488 0.112 5.545 1.00 2.87 C ATOM 1108 CZ PHE A 69 8.098 0.283 5.656 1.00 3.03 C ATOM 0 H PHE A 69 10.710 -2.238 0.045 1.00 0.63 H new ATOM 0 HA PHE A 69 8.115 -1.581 0.826 1.00 0.65 H new ATOM 0 HB2 PHE A 69 10.388 -1.926 2.079 1.00 0.81 H new ATOM 0 HB3 PHE A 69 10.712 -0.248 1.691 1.00 0.81 H new ATOM 0 HD1 PHE A 69 7.202 -0.572 2.479 1.00 2.61 H new ATOM 0 HD2 PHE A 69 11.126 -0.416 4.244 1.00 2.21 H new ATOM 0 HE1 PHE A 69 6.205 0.161 4.629 1.00 3.32 H new ATOM 0 HE2 PHE A 69 10.122 0.290 6.401 1.00 2.87 H new ATOM 0 HZ PHE A 69 7.664 0.603 6.592 1.00 3.03 H new ATOM 1118 N LYS A 70 9.423 0.830 -0.944 1.00 0.62 N ATOM 1119 CA LYS A 70 9.225 2.177 -1.481 1.00 0.66 C ATOM 1120 C LYS A 70 8.088 2.242 -2.507 1.00 0.63 C ATOM 1121 O LYS A 70 7.181 3.054 -2.309 1.00 0.65 O ATOM 1122 CB LYS A 70 10.555 2.655 -2.048 1.00 0.78 C ATOM 1123 CG LYS A 70 10.723 4.173 -2.012 1.00 1.37 C ATOM 1124 CD LYS A 70 12.188 4.528 -2.306 1.00 1.91 C ATOM 1125 CE LYS A 70 12.438 5.959 -1.834 1.00 3.67 C ATOM 1126 NZ LYS A 70 13.852 6.381 -2.000 1.00 4.97 N ATOM 0 H LYS A 70 10.184 0.327 -1.401 1.00 0.62 H new ATOM 0 HA LYS A 70 8.908 2.846 -0.681 1.00 0.66 H new ATOM 0 HB2 LYS A 70 11.367 2.194 -1.486 1.00 0.78 H new ATOM 0 HB3 LYS A 70 10.646 2.312 -3.079 1.00 0.78 H new ATOM 0 HG2 LYS A 70 10.069 4.640 -2.748 1.00 1.37 H new ATOM 0 HG3 LYS A 70 10.432 4.560 -1.035 1.00 1.37 H new ATOM 0 HD2 LYS A 70 12.857 3.837 -1.793 1.00 1.91 H new ATOM 0 HD3 LYS A 70 12.394 4.438 -3.373 1.00 1.91 H new ATOM 0 HE2 LYS A 70 11.793 6.638 -2.391 1.00 3.67 H new ATOM 0 HE3 LYS A 70 12.159 6.044 -0.784 1.00 3.67 H new ATOM 0 HZ1 LYS A 70 14.230 6.696 -1.084 1.00 4.97 H new ATOM 0 HZ2 LYS A 70 14.415 5.579 -2.350 1.00 4.97 H new ATOM 0 HZ3 LYS A 70 13.903 7.164 -2.683 1.00 4.97 H new ATOM 1140 N GLU A 71 8.098 1.372 -3.525 1.00 0.66 N ATOM 1141 CA GLU A 71 6.957 1.212 -4.444 1.00 0.63 C ATOM 1142 C GLU A 71 5.666 0.895 -3.657 1.00 0.61 C ATOM 1143 O GLU A 71 4.582 1.396 -3.954 1.00 0.71 O ATOM 1144 CB GLU A 71 7.248 0.110 -5.476 1.00 0.73 C ATOM 1145 CG GLU A 71 8.273 0.535 -6.547 1.00 0.95 C ATOM 1146 CD GLU A 71 7.630 0.604 -7.942 1.00 1.55 C ATOM 1147 OE1 GLU A 71 7.019 1.647 -8.246 1.00 2.27 O ATOM 1148 OE2 GLU A 71 7.699 -0.406 -8.688 1.00 2.41 O ATOM 0 H GLU A 71 8.888 0.763 -3.736 1.00 0.66 H new ATOM 0 HA GLU A 71 6.809 2.151 -4.977 1.00 0.63 H new ATOM 0 HB2 GLU A 71 7.619 -0.775 -4.958 1.00 0.73 H new ATOM 0 HB3 GLU A 71 6.317 -0.175 -5.966 1.00 0.73 H new ATOM 0 HG2 GLU A 71 8.690 1.508 -6.288 1.00 0.95 H new ATOM 0 HG3 GLU A 71 9.102 -0.173 -6.561 1.00 0.95 H new ATOM 1155 N TYR A 72 5.800 0.143 -2.562 1.00 0.55 N ATOM 1156 CA TYR A 72 4.676 -0.201 -1.671 1.00 0.56 C ATOM 1157 C TYR A 72 4.134 1.021 -0.898 1.00 0.58 C ATOM 1158 O TYR A 72 2.940 1.326 -0.920 1.00 0.64 O ATOM 1159 CB TYR A 72 5.166 -1.338 -0.757 1.00 0.58 C ATOM 1160 CG TYR A 72 4.385 -1.685 0.502 1.00 0.62 C ATOM 1161 CD1 TYR A 72 2.981 -1.567 0.595 1.00 1.68 C ATOM 1162 CD2 TYR A 72 5.105 -2.183 1.605 1.00 1.64 C ATOM 1163 CE1 TYR A 72 2.307 -1.999 1.757 1.00 1.76 C ATOM 1164 CE2 TYR A 72 4.445 -2.551 2.789 1.00 1.66 C ATOM 1165 CZ TYR A 72 3.040 -2.496 2.856 1.00 0.83 C ATOM 1166 OH TYR A 72 2.406 -2.944 3.971 1.00 0.99 O ATOM 0 H TYR A 72 6.693 -0.249 -2.262 1.00 0.55 H new ATOM 0 HA TYR A 72 3.816 -0.538 -2.249 1.00 0.56 H new ATOM 0 HB2 TYR A 72 5.223 -2.242 -1.364 1.00 0.58 H new ATOM 0 HB3 TYR A 72 6.184 -1.094 -0.452 1.00 0.58 H new ATOM 0 HD1 TYR A 72 2.421 -1.145 -0.226 1.00 1.68 H new ATOM 0 HD2 TYR A 72 6.178 -2.283 1.540 1.00 1.64 H new ATOM 0 HE1 TYR A 72 1.229 -1.949 1.805 1.00 1.76 H new ATOM 0 HE2 TYR A 72 5.015 -2.876 3.647 1.00 1.66 H new ATOM 0 HH TYR A 72 3.070 -3.250 4.624 1.00 0.99 H new ATOM 1176 N SER A 73 5.010 1.759 -0.218 1.00 0.58 N ATOM 1177 CA SER A 73 4.662 2.945 0.581 1.00 0.64 C ATOM 1178 C SER A 73 4.171 4.131 -0.263 1.00 0.61 C ATOM 1179 O SER A 73 3.238 4.806 0.181 1.00 0.62 O ATOM 1180 CB SER A 73 5.858 3.371 1.432 1.00 0.69 C ATOM 1181 OG SER A 73 7.003 3.460 0.624 1.00 1.29 O ATOM 0 H SER A 73 6.008 1.548 -0.204 1.00 0.58 H new ATOM 0 HA SER A 73 3.828 2.653 1.219 1.00 0.64 H new ATOM 0 HB2 SER A 73 5.658 4.333 1.903 1.00 0.69 H new ATOM 0 HB3 SER A 73 6.021 2.651 2.234 1.00 0.69 H new ATOM 0 HG SER A 73 7.400 2.570 0.521 1.00 1.29 H new ATOM 1187 N VAL A 74 4.706 4.355 -1.477 1.00 0.60 N ATOM 1188 CA VAL A 74 4.120 5.335 -2.403 1.00 0.64 C ATOM 1189 C VAL A 74 2.750 4.901 -2.912 1.00 0.65 C ATOM 1190 O VAL A 74 1.924 5.776 -3.119 1.00 0.70 O ATOM 1191 CB VAL A 74 5.003 5.733 -3.602 1.00 0.67 C ATOM 1192 CG1 VAL A 74 6.329 6.334 -3.128 1.00 0.71 C ATOM 1193 CG2 VAL A 74 5.236 4.630 -4.636 1.00 0.69 C ATOM 0 H VAL A 74 5.533 3.876 -1.834 1.00 0.60 H new ATOM 0 HA VAL A 74 4.026 6.227 -1.783 1.00 0.64 H new ATOM 0 HB VAL A 74 4.428 6.491 -4.134 1.00 0.67 H new ATOM 0 HG11 VAL A 74 6.934 6.607 -3.992 1.00 0.71 H new ATOM 0 HG12 VAL A 74 6.132 7.222 -2.528 1.00 0.71 H new ATOM 0 HG13 VAL A 74 6.866 5.601 -2.526 1.00 0.71 H new ATOM 0 HG21 VAL A 74 5.868 5.011 -5.438 1.00 0.69 H new ATOM 0 HG22 VAL A 74 5.727 3.782 -4.159 1.00 0.69 H new ATOM 0 HG23 VAL A 74 4.279 4.311 -5.049 1.00 0.69 H new ATOM 1203 N PHE A 75 2.449 3.604 -3.066 1.00 0.64 N ATOM 1204 CA PHE A 75 1.110 3.170 -3.476 1.00 0.63 C ATOM 1205 C PHE A 75 0.076 3.465 -2.383 1.00 0.58 C ATOM 1206 O PHE A 75 -0.938 4.099 -2.676 1.00 0.55 O ATOM 1207 CB PHE A 75 1.140 1.682 -3.847 1.00 0.67 C ATOM 1208 CG PHE A 75 -0.014 1.216 -4.720 1.00 0.61 C ATOM 1209 CD1 PHE A 75 -1.344 1.213 -4.256 1.00 1.92 C ATOM 1210 CD2 PHE A 75 0.267 0.745 -6.013 1.00 1.83 C ATOM 1211 CE1 PHE A 75 -2.377 0.695 -5.059 1.00 1.87 C ATOM 1212 CE2 PHE A 75 -0.764 0.242 -6.816 1.00 1.89 C ATOM 1213 CZ PHE A 75 -2.087 0.209 -6.343 1.00 0.63 C ATOM 0 H PHE A 75 3.111 2.843 -2.914 1.00 0.64 H new ATOM 0 HA PHE A 75 0.807 3.735 -4.357 1.00 0.63 H new ATOM 0 HB2 PHE A 75 2.076 1.470 -4.364 1.00 0.67 H new ATOM 0 HB3 PHE A 75 1.143 1.094 -2.929 1.00 0.67 H new ATOM 0 HD1 PHE A 75 -1.572 1.611 -3.278 1.00 1.92 H new ATOM 0 HD2 PHE A 75 1.279 0.771 -6.388 1.00 1.83 H new ATOM 0 HE1 PHE A 75 -3.391 0.672 -4.688 1.00 1.87 H new ATOM 0 HE2 PHE A 75 -0.541 -0.124 -7.807 1.00 1.89 H new ATOM 0 HZ PHE A 75 -2.876 -0.188 -6.964 1.00 0.63 H new ATOM 1223 N LEU A 76 0.351 3.092 -1.121 1.00 0.58 N ATOM 1224 CA LEU A 76 -0.492 3.437 0.033 1.00 0.55 C ATOM 1225 C LEU A 76 -0.675 4.951 0.147 1.00 0.56 C ATOM 1226 O LEU A 76 -1.807 5.423 0.260 1.00 0.63 O ATOM 1227 CB LEU A 76 0.131 2.890 1.333 1.00 0.54 C ATOM 1228 CG LEU A 76 0.174 1.355 1.474 1.00 0.53 C ATOM 1229 CD1 LEU A 76 0.856 1.020 2.810 1.00 0.91 C ATOM 1230 CD2 LEU A 76 -1.229 0.737 1.418 1.00 0.65 C ATOM 0 H LEU A 76 1.171 2.538 -0.873 1.00 0.58 H new ATOM 0 HA LEU A 76 -1.470 2.980 -0.118 1.00 0.55 H new ATOM 0 HB2 LEU A 76 1.150 3.270 1.411 1.00 0.54 H new ATOM 0 HB3 LEU A 76 -0.426 3.296 2.177 1.00 0.54 H new ATOM 0 HG LEU A 76 0.735 0.934 0.640 1.00 0.53 H new ATOM 0 HD11 LEU A 76 0.900 -0.062 2.935 1.00 0.91 H new ATOM 0 HD12 LEU A 76 1.867 1.427 2.814 1.00 0.91 H new ATOM 0 HD13 LEU A 76 0.286 1.457 3.629 1.00 0.91 H new ATOM 0 HD21 LEU A 76 -1.154 -0.346 1.521 1.00 0.65 H new ATOM 0 HD22 LEU A 76 -1.836 1.138 2.230 1.00 0.65 H new ATOM 0 HD23 LEU A 76 -1.695 0.979 0.463 1.00 0.65 H new ATOM 1242 N THR A 77 0.429 5.704 0.065 1.00 0.55 N ATOM 1243 CA THR A 77 0.456 7.169 0.134 1.00 0.55 C ATOM 1244 C THR A 77 -0.405 7.786 -0.964 1.00 0.57 C ATOM 1245 O THR A 77 -1.351 8.501 -0.652 1.00 0.65 O ATOM 1246 CB THR A 77 1.902 7.664 0.068 1.00 0.62 C ATOM 1247 OG1 THR A 77 2.573 7.194 1.209 1.00 0.63 O ATOM 1248 CG2 THR A 77 1.991 9.181 0.045 1.00 0.73 C ATOM 0 H THR A 77 1.357 5.297 -0.055 1.00 0.55 H new ATOM 0 HA THR A 77 0.030 7.487 1.086 1.00 0.55 H new ATOM 0 HB THR A 77 2.350 7.291 -0.853 1.00 0.62 H new ATOM 0 HG1 THR A 77 2.786 6.244 1.095 1.00 0.63 H new ATOM 0 HG21 THR A 77 3.037 9.483 -0.002 1.00 0.73 H new ATOM 0 HG22 THR A 77 1.463 9.563 -0.829 1.00 0.73 H new ATOM 0 HG23 THR A 77 1.537 9.586 0.949 1.00 0.73 H new ATOM 1256 N MET A 78 -0.124 7.451 -2.221 1.00 0.55 N ATOM 1257 CA MET A 78 -0.880 7.872 -3.402 1.00 0.58 C ATOM 1258 C MET A 78 -2.372 7.577 -3.247 1.00 0.57 C ATOM 1259 O MET A 78 -3.196 8.433 -3.552 1.00 0.62 O ATOM 1260 CB MET A 78 -0.307 7.131 -4.624 1.00 0.63 C ATOM 1261 CG MET A 78 -0.887 7.564 -5.973 1.00 1.12 C ATOM 1262 SD MET A 78 0.148 8.749 -6.867 1.00 1.58 S ATOM 1263 CE MET A 78 1.382 7.594 -7.525 1.00 1.85 C ATOM 0 H MET A 78 0.669 6.854 -2.456 1.00 0.55 H new ATOM 0 HA MET A 78 -0.782 8.950 -3.530 1.00 0.58 H new ATOM 0 HB2 MET A 78 0.773 7.278 -4.646 1.00 0.63 H new ATOM 0 HB3 MET A 78 -0.481 6.063 -4.497 1.00 0.63 H new ATOM 0 HG2 MET A 78 -1.033 6.681 -6.595 1.00 1.12 H new ATOM 0 HG3 MET A 78 -1.870 8.005 -5.810 1.00 1.12 H new ATOM 0 HE1 MET A 78 2.308 8.130 -7.732 1.00 1.85 H new ATOM 0 HE2 MET A 78 1.572 6.809 -6.793 1.00 1.85 H new ATOM 0 HE3 MET A 78 1.008 7.148 -8.446 1.00 1.85 H new ATOM 1273 N LEU A 79 -2.732 6.383 -2.763 1.00 0.58 N ATOM 1274 CA LEU A 79 -4.123 5.948 -2.653 1.00 0.70 C ATOM 1275 C LEU A 79 -4.863 6.698 -1.547 1.00 0.78 C ATOM 1276 O LEU A 79 -6.006 7.089 -1.756 1.00 0.88 O ATOM 1277 CB LEU A 79 -4.157 4.422 -2.465 1.00 0.84 C ATOM 1278 CG LEU A 79 -5.569 3.810 -2.375 1.00 0.91 C ATOM 1279 CD1 LEU A 79 -6.447 4.189 -3.583 1.00 1.57 C ATOM 1280 CD2 LEU A 79 -5.446 2.284 -2.272 1.00 1.78 C ATOM 0 H LEU A 79 -2.060 5.689 -2.435 1.00 0.58 H new ATOM 0 HA LEU A 79 -4.654 6.191 -3.573 1.00 0.70 H new ATOM 0 HB2 LEU A 79 -3.627 3.956 -3.296 1.00 0.84 H new ATOM 0 HB3 LEU A 79 -3.609 4.170 -1.557 1.00 0.84 H new ATOM 0 HG LEU A 79 -6.057 4.212 -1.487 1.00 0.91 H new ATOM 0 HD11 LEU A 79 -7.432 3.734 -3.474 1.00 1.57 H new ATOM 0 HD12 LEU A 79 -6.551 5.273 -3.631 1.00 1.57 H new ATOM 0 HD13 LEU A 79 -5.980 3.828 -4.500 1.00 1.57 H new ATOM 0 HD21 LEU A 79 -6.440 1.842 -2.208 1.00 1.78 H new ATOM 0 HD22 LEU A 79 -4.935 1.900 -3.155 1.00 1.78 H new ATOM 0 HD23 LEU A 79 -4.875 2.024 -1.380 1.00 1.78 H new ATOM 1292 N CYS A 80 -4.212 6.970 -0.416 1.00 0.78 N ATOM 1293 CA CYS A 80 -4.754 7.843 0.622 1.00 0.86 C ATOM 1294 C CYS A 80 -4.948 9.269 0.069 1.00 0.87 C ATOM 1295 O CYS A 80 -6.029 9.848 0.157 1.00 1.09 O ATOM 1296 CB CYS A 80 -3.783 7.769 1.816 1.00 0.93 C ATOM 1297 SG CYS A 80 -4.689 7.735 3.390 1.00 1.61 S ATOM 0 H CYS A 80 -3.292 6.590 -0.195 1.00 0.78 H new ATOM 0 HA CYS A 80 -5.743 7.528 0.955 1.00 0.86 H new ATOM 0 HB2 CYS A 80 -3.162 6.877 1.730 1.00 0.93 H new ATOM 0 HB3 CYS A 80 -3.112 8.627 1.797 1.00 0.93 H new ATOM 0 HG CYS A 80 -5.602 8.660 3.385 1.00 1.61 H new ATOM 1303 N MET A 81 -3.932 9.821 -0.603 1.00 0.77 N ATOM 1304 CA MET A 81 -3.964 11.153 -1.222 1.00 0.83 C ATOM 1305 C MET A 81 -5.015 11.265 -2.339 1.00 0.90 C ATOM 1306 O MET A 81 -5.398 12.378 -2.685 1.00 1.08 O ATOM 1307 CB MET A 81 -2.552 11.502 -1.713 1.00 0.94 C ATOM 1308 CG MET A 81 -1.605 11.678 -0.516 1.00 2.03 C ATOM 1309 SD MET A 81 0.112 12.010 -0.956 1.00 3.13 S ATOM 1310 CE MET A 81 -0.050 13.797 -1.106 1.00 3.56 C ATOM 0 H MET A 81 -3.041 9.342 -0.736 1.00 0.77 H new ATOM 0 HA MET A 81 -4.274 11.881 -0.472 1.00 0.83 H new ATOM 0 HB2 MET A 81 -2.181 10.713 -2.367 1.00 0.94 H new ATOM 0 HB3 MET A 81 -2.580 12.418 -2.302 1.00 0.94 H new ATOM 0 HG2 MET A 81 -1.972 12.497 0.103 1.00 2.03 H new ATOM 0 HG3 MET A 81 -1.641 10.776 0.094 1.00 2.03 H new ATOM 0 HE1 MET A 81 0.900 14.222 -1.430 1.00 3.56 H new ATOM 0 HE2 MET A 81 -0.822 14.032 -1.839 1.00 3.56 H new ATOM 0 HE3 MET A 81 -0.326 14.220 -0.140 1.00 3.56 H new ATOM 1320 N ALA A 82 -5.505 10.133 -2.862 1.00 0.86 N ATOM 1321 CA ALA A 82 -6.567 10.082 -3.857 1.00 0.98 C ATOM 1322 C ALA A 82 -7.972 10.423 -3.314 1.00 1.06 C ATOM 1323 O ALA A 82 -8.900 10.551 -4.119 1.00 1.29 O ATOM 1324 CB ALA A 82 -6.540 8.715 -4.558 1.00 1.03 C ATOM 0 H ALA A 82 -5.162 9.211 -2.594 1.00 0.86 H new ATOM 0 HA ALA A 82 -6.364 10.873 -4.579 1.00 0.98 H new ATOM 0 HB1 ALA A 82 -7.334 8.673 -5.304 1.00 1.03 H new ATOM 0 HB2 ALA A 82 -5.576 8.575 -5.046 1.00 1.03 H new ATOM 0 HB3 ALA A 82 -6.692 7.926 -3.822 1.00 1.03 H new ATOM 1330 N TYR A 83 -8.157 10.533 -1.990 1.00 0.98 N ATOM 1331 CA TYR A 83 -9.455 10.845 -1.355 1.00 1.15 C ATOM 1332 C TYR A 83 -9.410 11.496 0.045 1.00 1.18 C ATOM 1333 O TYR A 83 -10.464 11.859 0.557 1.00 1.79 O ATOM 1334 CB TYR A 83 -10.342 9.589 -1.356 1.00 1.38 C ATOM 1335 CG TYR A 83 -9.756 8.337 -0.724 1.00 1.41 C ATOM 1336 CD1 TYR A 83 -9.616 8.229 0.672 1.00 1.76 C ATOM 1337 CD2 TYR A 83 -9.363 7.262 -1.546 1.00 2.82 C ATOM 1338 CE1 TYR A 83 -9.015 7.093 1.241 1.00 1.76 C ATOM 1339 CE2 TYR A 83 -8.797 6.103 -0.982 1.00 3.01 C ATOM 1340 CZ TYR A 83 -8.598 6.025 0.415 1.00 1.76 C ATOM 1341 OH TYR A 83 -8.022 4.924 0.968 1.00 2.02 O ATOM 0 H TYR A 83 -7.401 10.407 -1.317 1.00 0.98 H new ATOM 0 HA TYR A 83 -9.884 11.633 -1.974 1.00 1.15 H new ATOM 0 HB2 TYR A 83 -11.271 9.828 -0.838 1.00 1.38 H new ATOM 0 HB3 TYR A 83 -10.603 9.358 -2.389 1.00 1.38 H new ATOM 0 HD1 TYR A 83 -9.973 9.024 1.310 1.00 1.76 H new ATOM 0 HD2 TYR A 83 -9.497 7.328 -2.616 1.00 2.82 H new ATOM 0 HE1 TYR A 83 -8.872 7.036 2.310 1.00 1.76 H new ATOM 0 HE2 TYR A 83 -8.515 5.275 -1.616 1.00 3.01 H new ATOM 0 HH TYR A 83 -7.795 4.284 0.262 1.00 2.02 H new ATOM 1351 N ASN A 84 -8.236 11.664 0.659 1.00 1.03 N ATOM 1352 CA ASN A 84 -8.079 12.343 1.949 1.00 1.15 C ATOM 1353 C ASN A 84 -8.546 13.810 1.946 1.00 1.15 C ATOM 1354 O ASN A 84 -8.221 14.570 1.035 1.00 2.01 O ATOM 1355 CB ASN A 84 -6.591 12.370 2.332 1.00 1.29 C ATOM 1356 CG ASN A 84 -6.005 11.052 2.794 1.00 2.28 C ATOM 1357 OD1 ASN A 84 -6.690 10.089 3.096 1.00 3.56 O ATOM 1358 ND2 ASN A 84 -4.687 10.989 2.887 1.00 2.50 N ATOM 0 H ASN A 84 -7.355 11.328 0.269 1.00 1.03 H new ATOM 0 HA ASN A 84 -8.697 11.781 2.650 1.00 1.15 H new ATOM 0 HB2 ASN A 84 -6.020 12.718 1.471 1.00 1.29 H new ATOM 0 HB3 ASN A 84 -6.453 13.105 3.125 1.00 1.29 H new ATOM 0 HD21 ASN A 84 -4.239 10.132 3.212 1.00 2.50 H new ATOM 0 HD22 ASN A 84 -4.119 11.797 2.633 1.00 2.50 H new ATOM 1365 N ASP A 85 -9.154 14.235 3.052 1.00 1.99 N ATOM 1366 CA ASP A 85 -9.326 15.632 3.466 1.00 2.46 C ATOM 1367 C ASP A 85 -8.174 16.143 4.362 1.00 3.18 C ATOM 1368 O ASP A 85 -8.032 17.348 4.546 1.00 3.48 O ATOM 1369 CB ASP A 85 -10.663 15.746 4.218 1.00 4.06 C ATOM 1370 CG ASP A 85 -10.689 14.874 5.482 1.00 5.92 C ATOM 1371 OD1 ASP A 85 -10.639 13.633 5.314 1.00 6.38 O ATOM 1372 OD2 ASP A 85 -10.719 15.451 6.589 1.00 7.37 O ATOM 0 H ASP A 85 -9.562 13.582 3.721 1.00 1.99 H new ATOM 0 HA ASP A 85 -9.318 16.255 2.572 1.00 2.46 H new ATOM 0 HB2 ASP A 85 -10.837 16.787 4.492 1.00 4.06 H new ATOM 0 HB3 ASP A 85 -11.477 15.450 3.557 1.00 4.06 H new ATOM 1377 N PHE A 86 -7.329 15.252 4.898 1.00 3.91 N ATOM 1378 CA PHE A 86 -6.386 15.500 6.012 1.00 5.07 C ATOM 1379 C PHE A 86 -5.211 16.461 5.720 1.00 5.14 C ATOM 1380 O PHE A 86 -4.281 16.580 6.520 1.00 6.36 O ATOM 1381 CB PHE A 86 -5.855 14.146 6.515 1.00 5.78 C ATOM 1382 CG PHE A 86 -6.896 13.057 6.700 1.00 5.94 C ATOM 1383 CD1 PHE A 86 -8.041 13.289 7.485 1.00 5.91 C ATOM 1384 CD2 PHE A 86 -6.730 11.813 6.067 1.00 6.60 C ATOM 1385 CE1 PHE A 86 -9.010 12.280 7.630 1.00 6.31 C ATOM 1386 CE2 PHE A 86 -7.693 10.801 6.217 1.00 7.07 C ATOM 1387 CZ PHE A 86 -8.837 11.037 6.998 1.00 6.82 C ATOM 0 H PHE A 86 -7.277 14.293 4.555 1.00 3.91 H new ATOM 0 HA PHE A 86 -6.965 16.026 6.771 1.00 5.07 H new ATOM 0 HB2 PHE A 86 -5.103 13.788 5.812 1.00 5.78 H new ATOM 0 HB3 PHE A 86 -5.350 14.306 7.468 1.00 5.78 H new ATOM 0 HD1 PHE A 86 -8.175 14.242 7.976 1.00 5.91 H new ATOM 0 HD2 PHE A 86 -5.855 11.634 5.460 1.00 6.60 H new ATOM 0 HE1 PHE A 86 -9.890 12.461 8.229 1.00 6.31 H new ATOM 0 HE2 PHE A 86 -7.554 9.845 5.734 1.00 7.07 H new ATOM 0 HZ PHE A 86 -9.582 10.264 7.112 1.00 6.82 H new ATOM 1397 N PHE A 87 -5.239 17.133 4.569 1.00 4.10 N ATOM 1398 CA PHE A 87 -4.292 18.159 4.122 1.00 4.42 C ATOM 1399 C PHE A 87 -4.947 19.112 3.092 1.00 3.87 C ATOM 1400 O PHE A 87 -4.292 19.586 2.170 1.00 4.56 O ATOM 1401 CB PHE A 87 -2.979 17.489 3.654 1.00 4.71 C ATOM 1402 CG PHE A 87 -3.047 16.664 2.376 1.00 5.63 C ATOM 1403 CD1 PHE A 87 -3.634 15.382 2.386 1.00 5.87 C ATOM 1404 CD2 PHE A 87 -2.486 17.153 1.181 1.00 6.92 C ATOM 1405 CE1 PHE A 87 -3.682 14.618 1.207 1.00 7.17 C ATOM 1406 CE2 PHE A 87 -2.542 16.391 0.001 1.00 8.22 C ATOM 1407 CZ PHE A 87 -3.152 15.125 0.011 1.00 8.28 C ATOM 0 H PHE A 87 -5.970 16.966 3.878 1.00 4.10 H new ATOM 0 HA PHE A 87 -4.016 18.808 4.953 1.00 4.42 H new ATOM 0 HB2 PHE A 87 -2.230 18.269 3.515 1.00 4.71 H new ATOM 0 HB3 PHE A 87 -2.622 16.843 4.457 1.00 4.71 H new ATOM 0 HD1 PHE A 87 -4.048 14.986 3.302 1.00 5.87 H new ATOM 0 HD2 PHE A 87 -2.009 18.122 1.171 1.00 6.92 H new ATOM 0 HE1 PHE A 87 -4.129 13.635 1.222 1.00 7.17 H new ATOM 0 HE2 PHE A 87 -2.116 16.778 -0.913 1.00 8.22 H new ATOM 0 HZ PHE A 87 -3.213 14.545 -0.898 1.00 8.28 H new ATOM 1417 N LEU A 88 -6.262 19.352 3.220 1.00 2.94 N ATOM 1418 CA LEU A 88 -7.093 20.112 2.271 1.00 2.33 C ATOM 1419 C LEU A 88 -6.705 21.590 2.077 1.00 3.73 C ATOM 1420 O LEU A 88 -6.064 22.199 2.928 1.00 4.83 O ATOM 1421 CB LEU A 88 -8.588 19.938 2.634 1.00 1.53 C ATOM 1422 CG LEU A 88 -9.177 20.636 3.892 1.00 3.59 C ATOM 1423 CD1 LEU A 88 -8.309 20.633 5.166 1.00 4.99 C ATOM 1424 CD2 LEU A 88 -9.569 22.088 3.616 1.00 4.79 C ATOM 0 H LEU A 88 -6.796 19.009 4.018 1.00 2.94 H new ATOM 0 HA LEU A 88 -6.898 19.680 1.289 1.00 2.33 H new ATOM 0 HB2 LEU A 88 -9.170 20.275 1.776 1.00 1.53 H new ATOM 0 HB3 LEU A 88 -8.771 18.869 2.743 1.00 1.53 H new ATOM 0 HG LEU A 88 -10.043 20.006 4.098 1.00 3.59 H new ATOM 0 HD11 LEU A 88 -8.836 21.151 5.967 1.00 4.99 H new ATOM 0 HD12 LEU A 88 -8.110 19.605 5.468 1.00 4.99 H new ATOM 0 HD13 LEU A 88 -7.366 21.141 4.965 1.00 4.99 H new ATOM 0 HD21 LEU A 88 -9.975 22.534 4.524 1.00 4.79 H new ATOM 0 HD22 LEU A 88 -8.690 22.648 3.299 1.00 4.79 H new ATOM 0 HD23 LEU A 88 -10.322 22.118 2.828 1.00 4.79 H new ATOM 1436 N GLU A 89 -7.170 22.167 0.963 1.00 3.89 N ATOM 1437 CA GLU A 89 -6.936 23.570 0.589 1.00 5.14 C ATOM 1438 C GLU A 89 -7.813 24.527 1.415 1.00 4.80 C ATOM 1439 O GLU A 89 -7.282 25.284 2.222 1.00 6.17 O ATOM 1440 CB GLU A 89 -7.146 23.714 -0.927 1.00 5.71 C ATOM 1441 CG GLU A 89 -6.735 25.087 -1.471 1.00 7.08 C ATOM 1442 CD GLU A 89 -6.805 25.085 -2.999 1.00 8.30 C ATOM 1443 OE1 GLU A 89 -5.906 24.453 -3.598 1.00 9.10 O ATOM 1444 OE2 GLU A 89 -7.765 25.675 -3.537 1.00 8.97 O ATOM 0 H GLU A 89 -7.733 21.661 0.279 1.00 3.89 H new ATOM 0 HA GLU A 89 -5.909 23.853 0.820 1.00 5.14 H new ATOM 0 HB2 GLU A 89 -6.573 22.942 -1.441 1.00 5.71 H new ATOM 0 HB3 GLU A 89 -8.197 23.539 -1.159 1.00 5.71 H new ATOM 0 HG2 GLU A 89 -7.392 25.858 -1.069 1.00 7.08 H new ATOM 0 HG3 GLU A 89 -5.723 25.329 -1.145 1.00 7.08 H new ATOM 1451 N ASP A 90 -9.136 24.395 1.301 1.00 3.71 N ATOM 1452 CA ASP A 90 -10.240 24.924 2.124 1.00 4.42 C ATOM 1453 C ASP A 90 -11.574 24.378 1.560 1.00 4.26 C ATOM 1454 O ASP A 90 -11.547 23.467 0.730 1.00 4.04 O ATOM 1455 CB ASP A 90 -10.219 26.449 2.363 1.00 5.47 C ATOM 1456 CG ASP A 90 -10.705 26.748 3.788 1.00 7.20 C ATOM 1457 OD1 ASP A 90 -11.929 26.924 3.980 1.00 7.80 O ATOM 1458 OD2 ASP A 90 -9.869 26.720 4.720 1.00 8.47 O ATOM 0 H ASP A 90 -9.513 23.843 0.530 1.00 3.71 H new ATOM 0 HA ASP A 90 -10.108 24.557 3.142 1.00 4.42 H new ATOM 0 HB2 ASP A 90 -9.210 26.837 2.222 1.00 5.47 H new ATOM 0 HB3 ASP A 90 -10.858 26.951 1.636 1.00 5.47 H new ATOM 1463 N ASN A 91 -12.735 24.858 2.020 1.00 5.48 N ATOM 1464 CA ASN A 91 -14.036 24.277 1.638 1.00 6.74 C ATOM 1465 C ASN A 91 -15.171 25.319 1.492 1.00 8.39 C ATOM 1466 O ASN A 91 -16.355 24.971 1.496 1.00 9.76 O ATOM 1467 CB ASN A 91 -14.371 23.134 2.620 1.00 7.83 C ATOM 1468 CG ASN A 91 -15.085 21.965 1.943 1.00 8.62 C ATOM 1469 OD1 ASN A 91 -14.623 20.834 1.971 1.00 9.24 O ATOM 1470 ND2 ASN A 91 -16.227 22.187 1.326 1.00 9.21 N ATOM 0 H ASN A 91 -12.805 25.650 2.659 1.00 5.48 H new ATOM 0 HA ASN A 91 -13.950 23.867 0.632 1.00 6.74 H new ATOM 0 HB2 ASN A 91 -13.451 22.775 3.080 1.00 7.83 H new ATOM 0 HB3 ASN A 91 -14.998 23.522 3.422 1.00 7.83 H new ATOM 0 HD21 ASN A 91 -16.721 21.417 0.875 1.00 9.21 H new ATOM 0 HD22 ASN A 91 -16.618 23.129 1.299 1.00 9.21 H new ATOM 1477 N LYS A 92 -14.788 26.594 1.390 1.00 8.76 N ATOM 1478 CA LYS A 92 -15.583 27.839 1.370 1.00 10.77 C ATOM 1479 C LYS A 92 -14.640 29.041 1.478 1.00 11.43 C ATOM 1480 O LYS A 92 -15.099 30.142 1.835 1.00 12.70 O ATOM 1481 CB LYS A 92 -16.731 27.857 2.416 1.00 12.29 C ATOM 1482 CG LYS A 92 -16.477 27.350 3.856 1.00 12.45 C ATOM 1483 CD LYS A 92 -15.096 27.587 4.484 1.00 11.60 C ATOM 1484 CE LYS A 92 -14.680 29.058 4.630 1.00 12.13 C ATOM 1485 NZ LYS A 92 -13.304 29.273 4.120 1.00 11.05 N ATOM 1486 OXT LYS A 92 -13.413 28.808 1.441 1.00 10.96 O ATOM 0 H LYS A 92 -13.795 26.811 1.309 1.00 8.76 H new ATOM 0 HA LYS A 92 -16.106 27.897 0.415 1.00 10.77 H new ATOM 0 HB2 LYS A 92 -17.083 28.886 2.492 1.00 12.29 H new ATOM 0 HB3 LYS A 92 -17.552 27.269 2.006 1.00 12.29 H new ATOM 0 HG2 LYS A 92 -17.220 27.812 4.506 1.00 12.45 H new ATOM 0 HG3 LYS A 92 -16.667 26.277 3.868 1.00 12.45 H new ATOM 0 HD2 LYS A 92 -15.080 27.123 5.470 1.00 11.60 H new ATOM 0 HD3 LYS A 92 -14.348 27.074 3.879 1.00 11.60 H new ATOM 0 HE2 LYS A 92 -15.378 29.693 4.084 1.00 12.13 H new ATOM 0 HE3 LYS A 92 -14.734 29.353 5.678 1.00 12.13 H new ATOM 0 HZ1 LYS A 92 -12.828 29.993 4.700 1.00 11.05 H new ATOM 0 HZ2 LYS A 92 -12.772 28.381 4.170 1.00 11.05 H new ATOM 0 HZ3 LYS A 92 -13.346 29.596 3.132 1.00 11.05 H new TER 1500 LYS A 92 ATOM 1501 N MET B 1 -13.239 -2.576 8.012 1.00 6.34 N ATOM 1502 CA MET B 1 -11.882 -2.035 8.209 1.00 5.15 C ATOM 1503 C MET B 1 -11.440 -2.288 9.646 1.00 4.22 C ATOM 1504 O MET B 1 -11.735 -3.392 10.090 1.00 5.54 O ATOM 1505 CB MET B 1 -11.733 -0.608 7.680 1.00 4.95 C ATOM 1506 CG MET B 1 -12.573 0.473 8.365 1.00 5.26 C ATOM 1507 SD MET B 1 -14.368 0.262 8.214 1.00 6.33 S ATOM 1508 CE MET B 1 -14.857 0.877 9.844 1.00 6.78 C ATOM 0 H1 MET B 1 -13.353 -2.875 7.023 1.00 6.34 H new ATOM 0 H2 MET B 1 -13.381 -3.393 8.639 1.00 6.34 H new ATOM 0 H3 MET B 1 -13.941 -1.842 8.235 1.00 6.34 H new ATOM 0 HA MET B 1 -11.166 -2.572 7.587 1.00 5.15 H new ATOM 0 HB2 MET B 1 -10.684 -0.324 7.759 1.00 4.95 H new ATOM 0 HB3 MET B 1 -11.983 -0.611 6.619 1.00 4.95 H new ATOM 0 HG2 MET B 1 -12.313 0.497 9.423 1.00 5.26 H new ATOM 0 HG3 MET B 1 -12.300 1.442 7.948 1.00 5.26 H new ATOM 0 HE1 MET B 1 -15.904 1.178 9.820 1.00 6.78 H new ATOM 0 HE2 MET B 1 -14.722 0.089 10.585 1.00 6.78 H new ATOM 0 HE3 MET B 1 -14.239 1.735 10.110 1.00 6.78 H new ATOM 1517 N GLU B 2 -10.773 -1.372 10.359 1.00 2.57 N ATOM 1518 CA GLU B 2 -10.288 -1.574 11.747 1.00 2.33 C ATOM 1519 C GLU B 2 -9.088 -2.509 11.790 1.00 2.33 C ATOM 1520 O GLU B 2 -8.826 -3.244 12.739 1.00 2.89 O ATOM 1521 CB GLU B 2 -11.391 -1.967 12.748 1.00 3.29 C ATOM 1522 CG GLU B 2 -12.576 -1.016 12.603 1.00 3.30 C ATOM 1523 CD GLU B 2 -12.124 0.434 12.720 1.00 3.57 C ATOM 1524 OE1 GLU B 2 -11.414 0.781 13.683 1.00 4.50 O ATOM 1525 OE2 GLU B 2 -12.286 1.178 11.732 1.00 3.70 O ATOM 0 H GLU B 2 -10.547 -0.449 9.988 1.00 2.57 H new ATOM 0 HA GLU B 2 -9.949 -0.596 12.090 1.00 2.33 H new ATOM 0 HB2 GLU B 2 -11.711 -2.993 12.568 1.00 3.29 H new ATOM 0 HB3 GLU B 2 -11.003 -1.928 13.766 1.00 3.29 H new ATOM 0 HG2 GLU B 2 -13.059 -1.174 11.639 1.00 3.30 H new ATOM 0 HG3 GLU B 2 -13.318 -1.233 13.371 1.00 3.30 H new ATOM 1532 N THR B 3 -8.351 -2.451 10.690 1.00 1.92 N ATOM 1533 CA THR B 3 -7.074 -3.134 10.506 1.00 1.88 C ATOM 1534 C THR B 3 -5.954 -2.249 11.056 1.00 1.52 C ATOM 1535 O THR B 3 -6.064 -1.026 11.001 1.00 1.21 O ATOM 1536 CB THR B 3 -6.867 -3.473 9.032 1.00 2.06 C ATOM 1537 OG1 THR B 3 -7.278 -2.394 8.233 1.00 1.70 O ATOM 1538 CG2 THR B 3 -7.694 -4.689 8.613 1.00 3.17 C ATOM 0 H THR B 3 -8.633 -1.910 9.873 1.00 1.92 H new ATOM 0 HA THR B 3 -7.066 -4.076 11.054 1.00 1.88 H new ATOM 0 HB THR B 3 -5.807 -3.687 8.898 1.00 2.06 H new ATOM 0 HG1 THR B 3 -6.551 -2.141 7.626 1.00 1.70 H new ATOM 0 HG21 THR B 3 -7.521 -4.900 7.558 1.00 3.17 H new ATOM 0 HG22 THR B 3 -7.399 -5.553 9.209 1.00 3.17 H new ATOM 0 HG23 THR B 3 -8.752 -4.482 8.773 1.00 3.17 H new ATOM 1546 N PRO B 4 -4.865 -2.818 11.603 1.00 1.79 N ATOM 1547 CA PRO B 4 -3.854 -2.024 12.294 1.00 1.79 C ATOM 1548 C PRO B 4 -3.055 -1.128 11.341 1.00 1.61 C ATOM 1549 O PRO B 4 -2.628 -0.051 11.751 1.00 1.58 O ATOM 1550 CB PRO B 4 -2.967 -3.042 13.019 1.00 2.37 C ATOM 1551 CG PRO B 4 -3.101 -4.305 12.166 1.00 2.60 C ATOM 1552 CD PRO B 4 -4.551 -4.237 11.685 1.00 2.32 C ATOM 0 HA PRO B 4 -4.311 -1.324 12.993 1.00 1.79 H new ATOM 0 HB2 PRO B 4 -1.932 -2.704 13.076 1.00 2.37 H new ATOM 0 HB3 PRO B 4 -3.304 -3.211 14.042 1.00 2.37 H new ATOM 0 HG2 PRO B 4 -2.398 -4.307 11.333 1.00 2.60 H new ATOM 0 HG3 PRO B 4 -2.909 -5.207 12.747 1.00 2.60 H new ATOM 0 HD2 PRO B 4 -4.666 -4.722 10.715 1.00 2.32 H new ATOM 0 HD3 PRO B 4 -5.219 -4.748 12.378 1.00 2.32 H new ATOM 1560 N LEU B 5 -2.871 -1.531 10.075 1.00 1.59 N ATOM 1561 CA LEU B 5 -2.141 -0.749 9.073 1.00 1.39 C ATOM 1562 C LEU B 5 -2.964 0.447 8.571 1.00 0.95 C ATOM 1563 O LEU B 5 -2.429 1.556 8.523 1.00 0.97 O ATOM 1564 CB LEU B 5 -1.645 -1.688 7.958 1.00 1.71 C ATOM 1565 CG LEU B 5 -0.285 -1.258 7.361 1.00 2.20 C ATOM 1566 CD1 LEU B 5 0.321 -2.443 6.607 1.00 2.24 C ATOM 1567 CD2 LEU B 5 -0.364 -0.005 6.481 1.00 2.85 C ATOM 0 H LEU B 5 -3.229 -2.417 9.717 1.00 1.59 H new ATOM 0 HA LEU B 5 -1.260 -0.297 9.528 1.00 1.39 H new ATOM 0 HB2 LEU B 5 -1.557 -2.699 8.356 1.00 1.71 H new ATOM 0 HB3 LEU B 5 -2.389 -1.722 7.163 1.00 1.71 H new ATOM 0 HG LEU B 5 0.365 -0.972 8.188 1.00 2.20 H new ATOM 0 HD11 LEU B 5 1.281 -2.151 6.181 1.00 2.24 H new ATOM 0 HD12 LEU B 5 0.467 -3.276 7.295 1.00 2.24 H new ATOM 0 HD13 LEU B 5 -0.353 -2.748 5.806 1.00 2.24 H new ATOM 0 HD21 LEU B 5 0.628 0.234 6.099 1.00 2.85 H new ATOM 0 HD22 LEU B 5 -1.040 -0.189 5.646 1.00 2.85 H new ATOM 0 HD23 LEU B 5 -0.737 0.832 7.072 1.00 2.85 H new ATOM 1579 N GLU B 6 -4.279 0.305 8.410 1.00 0.92 N ATOM 1580 CA GLU B 6 -5.173 1.466 8.335 1.00 0.99 C ATOM 1581 C GLU B 6 -4.953 2.435 9.518 1.00 0.98 C ATOM 1582 O GLU B 6 -5.018 3.657 9.343 1.00 1.21 O ATOM 1583 CB GLU B 6 -6.624 0.969 8.289 1.00 1.32 C ATOM 1584 CG GLU B 6 -7.649 2.103 8.338 1.00 1.47 C ATOM 1585 CD GLU B 6 -9.058 1.559 8.454 1.00 3.35 C ATOM 1586 OE1 GLU B 6 -9.363 0.956 9.516 1.00 4.66 O ATOM 1587 OE2 GLU B 6 -9.837 1.761 7.505 1.00 4.37 O ATOM 0 H GLU B 6 -4.750 -0.596 8.329 1.00 0.92 H new ATOM 0 HA GLU B 6 -4.950 2.028 7.428 1.00 0.99 H new ATOM 0 HB2 GLU B 6 -6.775 0.390 7.378 1.00 1.32 H new ATOM 0 HB3 GLU B 6 -6.797 0.294 9.127 1.00 1.32 H new ATOM 0 HG2 GLU B 6 -7.436 2.754 9.186 1.00 1.47 H new ATOM 0 HG3 GLU B 6 -7.564 2.713 7.439 1.00 1.47 H new ATOM 1594 N LYS B 7 -4.630 1.944 10.727 1.00 0.92 N ATOM 1595 CA LYS B 7 -4.404 2.850 11.866 1.00 1.10 C ATOM 1596 C LYS B 7 -2.973 3.437 11.886 1.00 1.19 C ATOM 1597 O LYS B 7 -2.730 4.494 12.481 1.00 1.35 O ATOM 1598 CB LYS B 7 -4.816 2.207 13.206 1.00 1.45 C ATOM 1599 CG LYS B 7 -6.191 1.516 13.274 1.00 1.76 C ATOM 1600 CD LYS B 7 -7.274 2.121 12.367 1.00 2.52 C ATOM 1601 CE LYS B 7 -8.656 1.780 12.909 1.00 3.66 C ATOM 1602 NZ LYS B 7 -9.733 2.171 11.966 1.00 4.51 N ATOM 0 H LYS B 7 -4.522 0.952 10.938 1.00 0.92 H new ATOM 0 HA LYS B 7 -5.065 3.705 11.724 1.00 1.10 H new ATOM 0 HB2 LYS B 7 -4.057 1.471 13.473 1.00 1.45 H new ATOM 0 HB3 LYS B 7 -4.792 2.982 13.972 1.00 1.45 H new ATOM 0 HG2 LYS B 7 -6.065 0.466 13.011 1.00 1.76 H new ATOM 0 HG3 LYS B 7 -6.544 1.547 14.305 1.00 1.76 H new ATOM 0 HD2 LYS B 7 -7.152 3.203 12.313 1.00 2.52 H new ATOM 0 HD3 LYS B 7 -7.167 1.737 11.353 1.00 2.52 H new ATOM 0 HE2 LYS B 7 -8.715 0.709 13.104 1.00 3.66 H new ATOM 0 HE3 LYS B 7 -8.807 2.286 13.862 1.00 3.66 H new ATOM 0 HZ1 LYS B 7 -10.653 2.113 12.447 1.00 4.51 H new ATOM 0 HZ2 LYS B 7 -9.573 3.146 11.641 1.00 4.51 H new ATOM 0 HZ3 LYS B 7 -9.728 1.529 11.148 1.00 4.51 H new ATOM 1616 N ALA B 8 -2.030 2.821 11.165 1.00 1.16 N ATOM 1617 CA ALA B 8 -0.748 3.426 10.815 1.00 1.18 C ATOM 1618 C ALA B 8 -0.956 4.613 9.858 1.00 1.00 C ATOM 1619 O ALA B 8 -0.454 5.701 10.141 1.00 0.98 O ATOM 1620 CB ALA B 8 0.184 2.346 10.241 1.00 1.35 C ATOM 0 H ALA B 8 -2.141 1.873 10.804 1.00 1.16 H new ATOM 0 HA ALA B 8 -0.268 3.833 11.705 1.00 1.18 H new ATOM 0 HB1 ALA B 8 1.142 2.794 9.979 1.00 1.35 H new ATOM 0 HB2 ALA B 8 0.340 1.566 10.987 1.00 1.35 H new ATOM 0 HB3 ALA B 8 -0.269 1.911 9.350 1.00 1.35 H new ATOM 1626 N LEU B 9 -1.759 4.453 8.794 1.00 0.97 N ATOM 1627 CA LEU B 9 -2.084 5.540 7.862 1.00 0.91 C ATOM 1628 C LEU B 9 -2.710 6.744 8.580 1.00 0.79 C ATOM 1629 O LEU B 9 -2.224 7.866 8.370 1.00 0.75 O ATOM 1630 CB LEU B 9 -2.957 5.023 6.697 1.00 1.00 C ATOM 1631 CG LEU B 9 -2.199 4.550 5.437 1.00 0.90 C ATOM 1632 CD1 LEU B 9 -1.426 5.690 4.747 1.00 1.03 C ATOM 1633 CD2 LEU B 9 -1.241 3.391 5.735 1.00 0.74 C ATOM 0 H LEU B 9 -2.201 3.565 8.557 1.00 0.97 H new ATOM 0 HA LEU B 9 -1.151 5.901 7.429 1.00 0.91 H new ATOM 0 HB2 LEU B 9 -3.563 4.195 7.064 1.00 1.00 H new ATOM 0 HB3 LEU B 9 -3.645 5.817 6.406 1.00 1.00 H new ATOM 0 HG LEU B 9 -2.972 4.197 4.754 1.00 0.90 H new ATOM 0 HD11 LEU B 9 -0.912 5.301 3.868 1.00 1.03 H new ATOM 0 HD12 LEU B 9 -2.123 6.471 4.444 1.00 1.03 H new ATOM 0 HD13 LEU B 9 -0.695 6.106 5.440 1.00 1.03 H new ATOM 0 HD21 LEU B 9 -0.732 3.095 4.818 1.00 0.74 H new ATOM 0 HD22 LEU B 9 -0.504 3.709 6.473 1.00 0.74 H new ATOM 0 HD23 LEU B 9 -1.805 2.544 6.127 1.00 0.74 H new ATOM 1645 N THR B 10 -3.688 6.542 9.491 1.00 0.80 N ATOM 1646 CA THR B 10 -4.165 7.675 10.311 1.00 0.69 C ATOM 1647 C THR B 10 -3.049 8.281 11.146 1.00 0.62 C ATOM 1648 O THR B 10 -2.906 9.493 11.102 1.00 0.58 O ATOM 1649 CB THR B 10 -5.428 7.442 11.137 1.00 1.11 C ATOM 1650 OG1 THR B 10 -5.943 8.731 11.398 1.00 2.87 O ATOM 1651 CG2 THR B 10 -5.283 6.741 12.483 1.00 1.49 C ATOM 0 H THR B 10 -4.144 5.648 9.672 1.00 0.80 H new ATOM 0 HA THR B 10 -4.486 8.401 9.564 1.00 0.69 H new ATOM 0 HB THR B 10 -6.050 6.767 10.549 1.00 1.11 H new ATOM 0 HG1 THR B 10 -6.763 8.654 11.929 1.00 2.87 H new ATOM 0 HG21 THR B 10 -6.263 6.647 12.952 1.00 1.49 H new ATOM 0 HG22 THR B 10 -4.856 5.749 12.333 1.00 1.49 H new ATOM 0 HG23 THR B 10 -4.626 7.325 13.128 1.00 1.49 H new ATOM 1659 N THR B 11 -2.219 7.478 11.830 1.00 0.72 N ATOM 1660 CA THR B 11 -1.112 7.962 12.696 1.00 0.73 C ATOM 1661 C THR B 11 -0.198 8.937 11.950 1.00 0.70 C ATOM 1662 O THR B 11 0.172 9.974 12.509 1.00 0.69 O ATOM 1663 CB THR B 11 -0.310 6.783 13.272 1.00 0.79 C ATOM 1664 OG1 THR B 11 -1.158 6.094 14.154 1.00 0.99 O ATOM 1665 CG2 THR B 11 0.928 7.175 14.087 1.00 0.73 C ATOM 0 H THR B 11 -2.292 6.461 11.803 1.00 0.72 H new ATOM 0 HA THR B 11 -1.559 8.506 13.528 1.00 0.73 H new ATOM 0 HB THR B 11 0.036 6.204 12.416 1.00 0.79 H new ATOM 0 HG1 THR B 11 -1.751 5.504 13.644 1.00 0.99 H new ATOM 0 HG21 THR B 11 1.425 6.275 14.450 1.00 0.73 H new ATOM 0 HG22 THR B 11 1.615 7.740 13.457 1.00 0.73 H new ATOM 0 HG23 THR B 11 0.626 7.789 14.935 1.00 0.73 H new ATOM 1673 N MET B 12 0.097 8.641 10.679 1.00 0.74 N ATOM 1674 CA MET B 12 0.878 9.509 9.791 1.00 0.76 C ATOM 1675 C MET B 12 0.142 10.812 9.440 1.00 0.79 C ATOM 1676 O MET B 12 0.673 11.884 9.714 1.00 0.95 O ATOM 1677 CB MET B 12 1.293 8.737 8.526 1.00 0.76 C ATOM 1678 CG MET B 12 2.209 7.544 8.831 1.00 0.98 C ATOM 1679 SD MET B 12 2.472 6.468 7.394 1.00 1.15 S ATOM 1680 CE MET B 12 4.274 6.567 7.206 1.00 0.78 C ATOM 0 H MET B 12 -0.206 7.776 10.231 1.00 0.74 H new ATOM 0 HA MET B 12 1.777 9.807 10.331 1.00 0.76 H new ATOM 0 HB2 MET B 12 0.399 8.381 8.013 1.00 0.76 H new ATOM 0 HB3 MET B 12 1.803 9.416 7.843 1.00 0.76 H new ATOM 0 HG2 MET B 12 3.172 7.913 9.183 1.00 0.98 H new ATOM 0 HG3 MET B 12 1.776 6.959 9.642 1.00 0.98 H new ATOM 0 HE1 MET B 12 4.586 5.955 6.360 1.00 0.78 H new ATOM 0 HE2 MET B 12 4.565 7.603 7.031 1.00 0.78 H new ATOM 0 HE3 MET B 12 4.755 6.203 8.114 1.00 0.78 H new ATOM 1690 N VAL B 13 -1.085 10.770 8.907 1.00 0.71 N ATOM 1691 CA VAL B 13 -1.797 12.016 8.515 1.00 0.73 C ATOM 1692 C VAL B 13 -2.209 12.862 9.734 1.00 0.86 C ATOM 1693 O VAL B 13 -2.163 14.094 9.665 1.00 0.92 O ATOM 1694 CB VAL B 13 -3.004 11.781 7.576 1.00 0.74 C ATOM 1695 CG1 VAL B 13 -2.565 11.136 6.251 1.00 0.70 C ATOM 1696 CG2 VAL B 13 -4.083 10.920 8.237 1.00 0.77 C ATOM 0 H VAL B 13 -1.606 9.910 8.735 1.00 0.71 H new ATOM 0 HA VAL B 13 -1.065 12.582 7.939 1.00 0.73 H new ATOM 0 HB VAL B 13 -3.430 12.762 7.367 1.00 0.74 H new ATOM 0 HG11 VAL B 13 -3.436 10.984 5.614 1.00 0.70 H new ATOM 0 HG12 VAL B 13 -1.855 11.791 5.745 1.00 0.70 H new ATOM 0 HG13 VAL B 13 -2.092 10.175 6.453 1.00 0.70 H new ATOM 0 HG21 VAL B 13 -4.912 10.780 7.543 1.00 0.77 H new ATOM 0 HG22 VAL B 13 -3.663 9.950 8.501 1.00 0.77 H new ATOM 0 HG23 VAL B 13 -4.444 11.417 9.138 1.00 0.77 H new ATOM 1706 N THR B 14 -2.495 12.226 10.884 1.00 0.92 N ATOM 1707 CA THR B 14 -2.741 12.881 12.181 1.00 0.99 C ATOM 1708 C THR B 14 -1.485 13.600 12.677 1.00 1.00 C ATOM 1709 O THR B 14 -1.598 14.483 13.528 1.00 1.19 O ATOM 1710 CB THR B 14 -3.224 11.835 13.209 1.00 1.03 C ATOM 1711 OG1 THR B 14 -4.421 11.243 12.767 1.00 1.33 O ATOM 1712 CG2 THR B 14 -3.550 12.402 14.592 1.00 1.17 C ATOM 0 H THR B 14 -2.563 11.210 10.938 1.00 0.92 H new ATOM 0 HA THR B 14 -3.520 13.633 12.054 1.00 0.99 H new ATOM 0 HB THR B 14 -2.390 11.139 13.293 1.00 1.03 H new ATOM 0 HG1 THR B 14 -4.217 10.535 12.120 1.00 1.33 H new ATOM 0 HG21 THR B 14 -3.881 11.596 15.247 1.00 1.17 H new ATOM 0 HG22 THR B 14 -2.660 12.869 15.013 1.00 1.17 H new ATOM 0 HG23 THR B 14 -4.342 13.145 14.503 1.00 1.17 H new ATOM 1720 N THR B 15 -0.288 13.240 12.190 1.00 1.06 N ATOM 1721 CA THR B 15 0.995 13.783 12.669 1.00 1.03 C ATOM 1722 C THR B 15 1.636 14.758 11.698 1.00 0.83 C ATOM 1723 O THR B 15 2.099 15.782 12.176 1.00 0.85 O ATOM 1724 CB THR B 15 1.930 12.645 13.074 1.00 1.13 C ATOM 1725 OG1 THR B 15 1.255 11.951 14.102 1.00 2.44 O ATOM 1726 CG2 THR B 15 3.260 13.131 13.651 1.00 1.49 C ATOM 0 H THR B 15 -0.181 12.554 11.442 1.00 1.06 H new ATOM 0 HA THR B 15 0.788 14.381 13.557 1.00 1.03 H new ATOM 0 HB THR B 15 2.161 12.046 12.193 1.00 1.13 H new ATOM 0 HG1 THR B 15 0.798 11.170 13.725 1.00 2.44 H new ATOM 0 HG21 THR B 15 3.876 12.272 13.918 1.00 1.49 H new ATOM 0 HG22 THR B 15 3.781 13.734 12.907 1.00 1.49 H new ATOM 0 HG23 THR B 15 3.073 13.733 14.540 1.00 1.49 H new ATOM 1734 N PHE B 16 1.602 14.555 10.382 1.00 0.75 N ATOM 1735 CA PHE B 16 2.068 15.558 9.415 1.00 0.65 C ATOM 1736 C PHE B 16 1.224 16.862 9.472 1.00 0.68 C ATOM 1737 O PHE B 16 1.786 17.956 9.508 1.00 0.69 O ATOM 1738 CB PHE B 16 2.148 14.855 8.052 1.00 0.61 C ATOM 1739 CG PHE B 16 2.310 15.742 6.828 1.00 0.68 C ATOM 1740 CD1 PHE B 16 1.201 16.439 6.304 1.00 2.31 C ATOM 1741 CD2 PHE B 16 3.551 15.813 6.166 1.00 1.81 C ATOM 1742 CE1 PHE B 16 1.343 17.223 5.145 1.00 2.45 C ATOM 1743 CE2 PHE B 16 3.688 16.587 5.003 1.00 1.74 C ATOM 1744 CZ PHE B 16 2.588 17.307 4.501 1.00 0.94 C ATOM 0 H PHE B 16 1.254 13.697 9.954 1.00 0.75 H new ATOM 0 HA PHE B 16 3.065 15.930 9.653 1.00 0.65 H new ATOM 0 HB2 PHE B 16 2.985 14.158 8.079 1.00 0.61 H new ATOM 0 HB3 PHE B 16 1.243 14.261 7.923 1.00 0.61 H new ATOM 0 HD1 PHE B 16 0.241 16.370 6.794 1.00 2.31 H new ATOM 0 HD2 PHE B 16 4.400 15.270 6.554 1.00 1.81 H new ATOM 0 HE1 PHE B 16 0.494 17.761 4.750 1.00 2.45 H new ATOM 0 HE2 PHE B 16 4.639 16.630 4.493 1.00 1.74 H new ATOM 0 HZ PHE B 16 2.701 17.923 3.621 1.00 0.94 H new ATOM 1754 N HIS B 17 -0.104 16.769 9.631 1.00 0.75 N ATOM 1755 CA HIS B 17 -0.988 17.944 9.814 1.00 0.78 C ATOM 1756 C HIS B 17 -0.779 18.685 11.160 1.00 0.77 C ATOM 1757 O HIS B 17 -1.246 19.800 11.352 1.00 1.02 O ATOM 1758 CB HIS B 17 -2.451 17.498 9.621 1.00 1.02 C ATOM 1759 CG HIS B 17 -3.416 18.645 9.416 1.00 1.39 C ATOM 1760 ND1 HIS B 17 -4.083 19.347 10.394 1.00 2.15 N ATOM 1761 CD2 HIS B 17 -3.792 19.190 8.216 1.00 1.65 C ATOM 1762 CE1 HIS B 17 -4.847 20.279 9.799 1.00 2.50 C ATOM 1763 NE2 HIS B 17 -4.697 20.229 8.469 1.00 2.14 N ATOM 0 H HIS B 17 -0.602 15.879 9.637 1.00 0.75 H new ATOM 0 HA HIS B 17 -0.722 18.682 9.057 1.00 0.78 H new ATOM 0 HB2 HIS B 17 -2.507 16.830 8.762 1.00 1.02 H new ATOM 0 HB3 HIS B 17 -2.764 16.923 10.493 1.00 1.02 H new ATOM 0 HD1 HIS B 17 -4.010 19.187 11.399 1.00 2.15 H new ATOM 0 HD2 HIS B 17 -3.449 18.873 7.242 1.00 1.65 H new ATOM 0 HE1 HIS B 17 -5.492 20.971 10.320 1.00 2.50 H new ATOM 1772 N LYS B 18 -0.028 18.100 12.103 1.00 0.72 N ATOM 1773 CA LYS B 18 0.425 18.737 13.352 1.00 0.78 C ATOM 1774 C LYS B 18 1.495 19.834 13.100 1.00 0.78 C ATOM 1775 O LYS B 18 1.821 20.642 13.982 1.00 0.96 O ATOM 1776 CB LYS B 18 0.937 17.588 14.246 1.00 0.95 C ATOM 1777 CG LYS B 18 0.708 17.701 15.757 1.00 1.45 C ATOM 1778 CD LYS B 18 0.944 16.320 16.411 1.00 2.74 C ATOM 1779 CE LYS B 18 -0.241 15.365 16.145 1.00 4.58 C ATOM 1780 NZ LYS B 18 0.138 13.927 16.120 1.00 5.75 N ATOM 0 H LYS B 18 0.293 17.136 12.016 1.00 0.72 H new ATOM 0 HA LYS B 18 -0.388 19.273 13.843 1.00 0.78 H new ATOM 0 HB2 LYS B 18 0.469 16.664 13.905 1.00 0.95 H new ATOM 0 HB3 LYS B 18 2.009 17.484 14.077 1.00 0.95 H new ATOM 0 HG2 LYS B 18 1.385 18.440 16.185 1.00 1.45 H new ATOM 0 HG3 LYS B 18 -0.307 18.044 15.959 1.00 1.45 H new ATOM 0 HD2 LYS B 18 1.862 15.882 16.020 1.00 2.74 H new ATOM 0 HD3 LYS B 18 1.082 16.442 17.485 1.00 2.74 H new ATOM 0 HE2 LYS B 18 -0.998 15.518 16.914 1.00 4.58 H new ATOM 0 HE3 LYS B 18 -0.699 15.627 15.191 1.00 4.58 H new ATOM 0 HZ1 LYS B 18 -0.585 13.386 15.603 1.00 5.75 H new ATOM 0 HZ2 LYS B 18 1.057 13.818 15.645 1.00 5.75 H new ATOM 0 HZ3 LYS B 18 0.207 13.569 17.094 1.00 5.75 H new ATOM 1794 N TYR B 19 2.058 19.851 11.885 1.00 0.77 N ATOM 1795 CA TYR B 19 2.985 20.859 11.354 1.00 0.92 C ATOM 1796 C TYR B 19 2.355 21.603 10.152 1.00 1.16 C ATOM 1797 O TYR B 19 2.219 22.821 10.201 1.00 2.01 O ATOM 1798 CB TYR B 19 4.330 20.194 10.983 1.00 0.94 C ATOM 1799 CG TYR B 19 5.003 19.396 12.097 1.00 0.81 C ATOM 1800 CD1 TYR B 19 4.537 18.097 12.381 1.00 2.08 C ATOM 1801 CD2 TYR B 19 6.095 19.909 12.837 1.00 1.80 C ATOM 1802 CE1 TYR B 19 5.103 17.332 13.416 1.00 2.20 C ATOM 1803 CE2 TYR B 19 6.672 19.144 13.869 1.00 1.73 C ATOM 1804 CZ TYR B 19 6.171 17.858 14.168 1.00 0.94 C ATOM 1805 OH TYR B 19 6.732 17.101 15.149 1.00 1.17 O ATOM 0 H TYR B 19 1.867 19.116 11.204 1.00 0.77 H new ATOM 0 HA TYR B 19 3.182 21.606 12.123 1.00 0.92 H new ATOM 0 HB2 TYR B 19 4.164 19.530 10.135 1.00 0.94 H new ATOM 0 HB3 TYR B 19 5.019 20.971 10.650 1.00 0.94 H new ATOM 0 HD1 TYR B 19 3.731 17.682 11.794 1.00 2.08 H new ATOM 0 HD2 TYR B 19 6.487 20.889 12.610 1.00 1.80 H new ATOM 0 HE1 TYR B 19 4.720 16.346 13.633 1.00 2.20 H new ATOM 0 HE2 TYR B 19 7.501 19.543 14.434 1.00 1.73 H new ATOM 0 HH TYR B 19 6.656 16.153 14.914 1.00 1.17 H new ATOM 1815 N SER B 20 1.909 20.892 9.107 1.00 0.76 N ATOM 1816 CA SER B 20 1.370 21.513 7.878 1.00 0.74 C ATOM 1817 C SER B 20 0.067 22.293 8.109 1.00 1.00 C ATOM 1818 O SER B 20 -0.192 23.286 7.439 1.00 1.55 O ATOM 1819 CB SER B 20 1.153 20.451 6.781 1.00 0.81 C ATOM 1820 OG SER B 20 0.032 19.611 6.997 1.00 1.51 O ATOM 0 H SER B 20 1.909 19.872 9.085 1.00 0.76 H new ATOM 0 HA SER B 20 2.120 22.234 7.554 1.00 0.74 H new ATOM 0 HB2 SER B 20 1.035 20.955 5.822 1.00 0.81 H new ATOM 0 HB3 SER B 20 2.047 19.832 6.708 1.00 0.81 H new ATOM 0 HG SER B 20 -0.689 19.863 6.383 1.00 1.51 H new ATOM 1826 N GLY B 21 -0.748 21.876 9.080 1.00 1.01 N ATOM 1827 CA GLY B 21 -2.102 22.383 9.290 1.00 1.46 C ATOM 1828 C GLY B 21 -2.196 23.638 10.152 1.00 1.82 C ATOM 1829 O GLY B 21 -3.267 23.901 10.686 1.00 2.35 O ATOM 0 H GLY B 21 -0.478 21.161 9.756 1.00 1.01 H new ATOM 0 HA2 GLY B 21 -2.549 22.594 8.319 1.00 1.46 H new ATOM 0 HA3 GLY B 21 -2.700 21.598 9.752 1.00 1.46 H new ATOM 1832 N ARG B 22 -1.094 24.371 10.354 1.00 1.80 N ATOM 1833 CA ARG B 22 -0.994 25.413 11.386 1.00 2.26 C ATOM 1834 C ARG B 22 -1.680 26.710 10.969 1.00 2.98 C ATOM 1835 O ARG B 22 -2.586 27.174 11.654 1.00 3.90 O ATOM 1836 CB ARG B 22 0.483 25.643 11.734 1.00 2.24 C ATOM 1837 CG ARG B 22 0.978 24.507 12.632 1.00 2.45 C ATOM 1838 CD ARG B 22 2.484 24.594 12.875 1.00 2.14 C ATOM 1839 NE ARG B 22 2.862 23.556 13.845 1.00 3.17 N ATOM 1840 CZ ARG B 22 3.565 23.722 14.953 1.00 4.11 C ATOM 1841 NH1 ARG B 22 4.155 24.867 15.253 1.00 4.06 N ATOM 1842 NH2 ARG B 22 3.657 22.709 15.783 1.00 5.85 N ATOM 0 H ARG B 22 -0.242 24.258 9.804 1.00 1.80 H new ATOM 0 HA ARG B 22 -1.522 25.067 12.275 1.00 2.26 H new ATOM 0 HB2 ARG B 22 1.080 25.687 10.823 1.00 2.24 H new ATOM 0 HB3 ARG B 22 0.604 26.600 12.241 1.00 2.24 H new ATOM 0 HG2 ARG B 22 0.453 24.542 13.586 1.00 2.45 H new ATOM 0 HG3 ARG B 22 0.738 23.548 12.172 1.00 2.45 H new ATOM 0 HD2 ARG B 22 3.027 24.454 11.940 1.00 2.14 H new ATOM 0 HD3 ARG B 22 2.750 25.581 13.254 1.00 2.14 H new ATOM 0 HE ARG B 22 2.549 22.607 13.642 1.00 3.17 H new ATOM 0 HH11 ARG B 22 4.076 25.663 14.619 1.00 4.06 H new ATOM 0 HH12 ARG B 22 4.688 24.955 16.118 1.00 4.06 H new ATOM 0 HH21 ARG B 22 3.194 21.827 15.564 1.00 5.85 H new ATOM 0 HH22 ARG B 22 4.192 22.804 16.646 1.00 5.85 H new ATOM 1856 N GLU B 23 -1.273 27.269 9.838 1.00 2.90 N ATOM 1857 CA GLU B 23 -1.830 28.485 9.259 1.00 3.76 C ATOM 1858 C GLU B 23 -1.826 28.348 7.735 1.00 3.24 C ATOM 1859 O GLU B 23 -0.936 27.720 7.155 1.00 2.78 O ATOM 1860 CB GLU B 23 -1.000 29.709 9.668 1.00 4.84 C ATOM 1861 CG GLU B 23 -1.178 30.098 11.146 1.00 5.90 C ATOM 1862 CD GLU B 23 -0.487 31.421 11.485 1.00 6.91 C ATOM 1863 OE1 GLU B 23 -0.604 32.361 10.671 1.00 7.62 O ATOM 1864 OE2 GLU B 23 0.138 31.485 12.568 1.00 7.49 O ATOM 0 H GLU B 23 -0.518 26.874 9.277 1.00 2.90 H new ATOM 0 HA GLU B 23 -2.848 28.624 9.624 1.00 3.76 H new ATOM 0 HB2 GLU B 23 0.054 29.505 9.477 1.00 4.84 H new ATOM 0 HB3 GLU B 23 -1.280 30.555 9.040 1.00 4.84 H new ATOM 0 HG2 GLU B 23 -2.241 30.177 11.373 1.00 5.90 H new ATOM 0 HG3 GLU B 23 -0.775 29.307 11.779 1.00 5.90 H new ATOM 1871 N GLY B 24 -2.830 28.940 7.093 1.00 4.14 N ATOM 1872 CA GLY B 24 -2.943 29.042 5.637 1.00 3.93 C ATOM 1873 C GLY B 24 -3.050 27.693 4.920 1.00 3.29 C ATOM 1874 O GLY B 24 -4.139 27.152 4.743 1.00 3.70 O ATOM 0 H GLY B 24 -3.611 29.375 7.584 1.00 4.14 H new ATOM 0 HA2 GLY B 24 -3.820 29.641 5.393 1.00 3.93 H new ATOM 0 HA3 GLY B 24 -2.075 29.577 5.253 1.00 3.93 H new ATOM 1877 N SER B 25 -1.922 27.197 4.431 1.00 2.86 N ATOM 1878 CA SER B 25 -1.837 26.186 3.373 1.00 2.64 C ATOM 1879 C SER B 25 -1.646 24.777 3.940 1.00 2.41 C ATOM 1880 O SER B 25 -0.566 24.203 3.829 1.00 2.58 O ATOM 1881 CB SER B 25 -0.709 26.548 2.395 1.00 3.26 C ATOM 1882 OG SER B 25 -0.949 27.820 1.816 1.00 4.86 O ATOM 0 H SER B 25 -1.006 27.494 4.768 1.00 2.86 H new ATOM 0 HA SER B 25 -2.785 26.180 2.834 1.00 2.64 H new ATOM 0 HB2 SER B 25 0.247 26.554 2.918 1.00 3.26 H new ATOM 0 HB3 SER B 25 -0.640 25.792 1.613 1.00 3.26 H new ATOM 0 HG SER B 25 -0.222 28.040 1.196 1.00 4.86 H new ATOM 1888 N LYS B 26 -2.708 24.186 4.501 1.00 2.35 N ATOM 1889 CA LYS B 26 -2.667 22.918 5.263 1.00 2.16 C ATOM 1890 C LYS B 26 -2.062 21.700 4.510 1.00 2.26 C ATOM 1891 O LYS B 26 -1.800 20.657 5.117 1.00 2.27 O ATOM 1892 CB LYS B 26 -4.089 22.620 5.767 1.00 2.01 C ATOM 1893 CG LYS B 26 -4.668 23.684 6.728 1.00 2.27 C ATOM 1894 CD LYS B 26 -6.156 23.987 6.486 1.00 2.35 C ATOM 1895 CE LYS B 26 -6.351 24.723 5.155 1.00 2.95 C ATOM 1896 NZ LYS B 26 -7.768 25.026 4.854 1.00 3.12 N ATOM 0 H LYS B 26 -3.646 24.581 4.440 1.00 2.35 H new ATOM 0 HA LYS B 26 -1.973 23.066 6.090 1.00 2.16 H new ATOM 0 HB2 LYS B 26 -4.753 22.526 4.907 1.00 2.01 H new ATOM 0 HB3 LYS B 26 -4.086 21.655 6.274 1.00 2.01 H new ATOM 0 HG2 LYS B 26 -4.538 23.343 7.755 1.00 2.27 H new ATOM 0 HG3 LYS B 26 -4.096 24.606 6.623 1.00 2.27 H new ATOM 0 HD2 LYS B 26 -6.725 23.057 6.480 1.00 2.35 H new ATOM 0 HD3 LYS B 26 -6.546 24.594 7.303 1.00 2.35 H new ATOM 0 HE2 LYS B 26 -5.785 25.654 5.177 1.00 2.95 H new ATOM 0 HE3 LYS B 26 -5.937 24.117 4.349 1.00 2.95 H new ATOM 0 HZ1 LYS B 26 -7.876 25.203 3.835 1.00 3.12 H new ATOM 0 HZ2 LYS B 26 -8.362 24.218 5.130 1.00 3.12 H new ATOM 0 HZ3 LYS B 26 -8.063 25.870 5.385 1.00 3.12 H new ATOM 1910 N LEU B 27 -1.842 21.849 3.198 1.00 2.45 N ATOM 1911 CA LEU B 27 -1.304 20.889 2.233 1.00 2.67 C ATOM 1912 C LEU B 27 0.150 20.472 2.501 1.00 1.99 C ATOM 1913 O LEU B 27 0.503 19.325 2.225 1.00 1.89 O ATOM 1914 CB LEU B 27 -1.369 21.500 0.809 1.00 3.64 C ATOM 1915 CG LEU B 27 -2.721 22.030 0.274 1.00 4.51 C ATOM 1916 CD1 LEU B 27 -3.099 23.407 0.849 1.00 6.10 C ATOM 1917 CD2 LEU B 27 -2.636 22.153 -1.255 1.00 6.49 C ATOM 0 H LEU B 27 -2.059 22.735 2.743 1.00 2.45 H new ATOM 0 HA LEU B 27 -1.921 19.995 2.330 1.00 2.67 H new ATOM 0 HB2 LEU B 27 -0.657 22.324 0.773 1.00 3.64 H new ATOM 0 HB3 LEU B 27 -1.015 20.742 0.111 1.00 3.64 H new ATOM 0 HG LEU B 27 -3.488 21.320 0.584 1.00 4.51 H new ATOM 0 HD11 LEU B 27 -4.057 23.724 0.435 1.00 6.10 H new ATOM 0 HD12 LEU B 27 -3.177 23.339 1.934 1.00 6.10 H new ATOM 0 HD13 LEU B 27 -2.331 24.135 0.585 1.00 6.10 H new ATOM 0 HD21 LEU B 27 -3.584 22.526 -1.643 1.00 6.49 H new ATOM 0 HD22 LEU B 27 -1.837 22.846 -1.520 1.00 6.49 H new ATOM 0 HD23 LEU B 27 -2.426 21.175 -1.688 1.00 6.49 H new ATOM 1929 N THR B 28 0.991 21.410 2.961 1.00 1.76 N ATOM 1930 CA THR B 28 2.463 21.326 2.947 1.00 1.43 C ATOM 1931 C THR B 28 3.065 21.939 4.204 1.00 1.40 C ATOM 1932 O THR B 28 2.401 22.678 4.922 1.00 1.63 O ATOM 1933 CB THR B 28 3.051 22.042 1.718 1.00 1.40 C ATOM 1934 OG1 THR B 28 2.545 23.356 1.658 1.00 1.62 O ATOM 1935 CG2 THR B 28 2.725 21.343 0.402 1.00 1.44 C ATOM 0 H THR B 28 0.654 22.282 3.369 1.00 1.76 H new ATOM 0 HA THR B 28 2.716 20.267 2.905 1.00 1.43 H new ATOM 0 HB THR B 28 4.134 22.032 1.839 1.00 1.40 H new ATOM 0 HG1 THR B 28 2.919 23.815 0.877 1.00 1.62 H new ATOM 0 HG21 THR B 28 3.168 21.898 -0.425 1.00 1.44 H new ATOM 0 HG22 THR B 28 3.129 20.331 0.418 1.00 1.44 H new ATOM 0 HG23 THR B 28 1.644 21.300 0.271 1.00 1.44 H new ATOM 1943 N LEU B 29 4.352 21.674 4.430 1.00 1.21 N ATOM 1944 CA LEU B 29 5.158 22.256 5.514 1.00 1.17 C ATOM 1945 C LEU B 29 6.517 22.730 4.982 1.00 1.23 C ATOM 1946 O LEU B 29 6.942 22.315 3.904 1.00 1.28 O ATOM 1947 CB LEU B 29 5.258 21.275 6.711 1.00 0.97 C ATOM 1948 CG LEU B 29 6.262 20.103 6.620 1.00 0.78 C ATOM 1949 CD1 LEU B 29 6.120 19.213 7.865 1.00 0.78 C ATOM 1950 CD2 LEU B 29 6.077 19.234 5.373 1.00 0.83 C ATOM 0 H LEU B 29 4.883 21.028 3.847 1.00 1.21 H new ATOM 0 HA LEU B 29 4.661 23.146 5.900 1.00 1.17 H new ATOM 0 HB2 LEU B 29 5.508 21.858 7.598 1.00 0.97 H new ATOM 0 HB3 LEU B 29 4.267 20.851 6.877 1.00 0.97 H new ATOM 0 HG LEU B 29 7.254 20.550 6.557 1.00 0.78 H new ATOM 0 HD11 LEU B 29 6.827 18.386 7.803 1.00 0.78 H new ATOM 0 HD12 LEU B 29 6.327 19.802 8.759 1.00 0.78 H new ATOM 0 HD13 LEU B 29 5.105 18.820 7.917 1.00 0.78 H new ATOM 0 HD21 LEU B 29 6.815 18.432 5.376 1.00 0.83 H new ATOM 0 HD22 LEU B 29 5.075 18.805 5.374 1.00 0.83 H new ATOM 0 HD23 LEU B 29 6.209 19.846 4.480 1.00 0.83 H new ATOM 1962 N SER B 30 7.197 23.612 5.710 1.00 1.29 N ATOM 1963 CA SER B 30 8.485 24.166 5.250 1.00 1.42 C ATOM 1964 C SER B 30 9.667 23.187 5.394 1.00 1.44 C ATOM 1965 O SER B 30 9.645 22.232 6.170 1.00 1.21 O ATOM 1966 CB SER B 30 8.788 25.491 5.961 1.00 1.56 C ATOM 1967 OG SER B 30 8.767 25.355 7.378 1.00 2.16 O ATOM 0 H SER B 30 6.887 23.962 6.617 1.00 1.29 H new ATOM 0 HA SER B 30 8.372 24.347 4.181 1.00 1.42 H new ATOM 0 HB2 SER B 30 9.766 25.855 5.647 1.00 1.56 H new ATOM 0 HB3 SER B 30 8.056 26.240 5.658 1.00 1.56 H new ATOM 0 HG SER B 30 7.864 25.111 7.670 1.00 2.16 H new ATOM 1973 N ARG B 31 10.755 23.406 4.655 1.00 1.71 N ATOM 1974 CA ARG B 31 11.829 22.432 4.553 1.00 1.58 C ATOM 1975 C ARG B 31 12.514 22.141 5.897 1.00 1.24 C ATOM 1976 O ARG B 31 12.613 20.974 6.281 1.00 1.22 O ATOM 1977 CB ARG B 31 12.778 22.914 3.451 1.00 1.99 C ATOM 1978 CG ARG B 31 14.089 22.137 3.391 1.00 2.38 C ATOM 1979 CD ARG B 31 13.820 20.660 3.133 1.00 2.76 C ATOM 1980 NE ARG B 31 14.550 19.812 4.084 1.00 4.19 N ATOM 1981 CZ ARG B 31 14.168 18.658 4.603 1.00 5.37 C ATOM 1982 NH1 ARG B 31 12.972 18.157 4.421 1.00 5.75 N ATOM 1983 NH2 ARG B 31 15.030 17.970 5.305 1.00 6.50 N ATOM 0 H ARG B 31 10.911 24.258 4.116 1.00 1.71 H new ATOM 0 HA ARG B 31 11.429 21.457 4.276 1.00 1.58 H new ATOM 0 HB2 ARG B 31 12.274 22.834 2.488 1.00 1.99 H new ATOM 0 HB3 ARG B 31 12.998 23.970 3.609 1.00 1.99 H new ATOM 0 HG2 ARG B 31 14.723 22.541 2.601 1.00 2.38 H new ATOM 0 HG3 ARG B 31 14.633 22.256 4.328 1.00 2.38 H new ATOM 0 HD2 ARG B 31 12.751 20.463 3.213 1.00 2.76 H new ATOM 0 HD3 ARG B 31 14.115 20.406 2.115 1.00 2.76 H new ATOM 0 HE ARG B 31 15.464 20.156 4.380 1.00 4.19 H new ATOM 0 HH11 ARG B 31 12.288 18.662 3.857 1.00 5.75 H new ATOM 0 HH12 ARG B 31 12.724 17.262 4.843 1.00 5.75 H new ATOM 0 HH21 ARG B 31 15.976 18.326 5.443 1.00 6.50 H new ATOM 0 HH22 ARG B 31 14.757 17.077 5.715 1.00 6.50 H new ATOM 1997 N LYS B 32 12.902 23.158 6.672 1.00 1.28 N ATOM 1998 CA LYS B 32 13.393 22.961 8.052 1.00 1.13 C ATOM 1999 C LYS B 32 12.363 22.289 8.985 1.00 1.00 C ATOM 2000 O LYS B 32 12.739 21.542 9.886 1.00 1.04 O ATOM 2001 CB LYS B 32 13.839 24.307 8.628 1.00 1.53 C ATOM 2002 CG LYS B 32 15.234 24.673 8.096 1.00 1.63 C ATOM 2003 CD LYS B 32 15.326 26.181 7.886 1.00 2.28 C ATOM 2004 CE LYS B 32 16.633 26.541 7.178 1.00 3.34 C ATOM 2005 NZ LYS B 32 16.638 27.963 6.764 1.00 4.61 N ATOM 0 H LYS B 32 12.888 24.133 6.371 1.00 1.28 H new ATOM 0 HA LYS B 32 14.237 22.273 7.996 1.00 1.13 H new ATOM 0 HB2 LYS B 32 13.123 25.083 8.357 1.00 1.53 H new ATOM 0 HB3 LYS B 32 13.858 24.257 9.717 1.00 1.53 H new ATOM 0 HG2 LYS B 32 15.999 24.347 8.800 1.00 1.63 H new ATOM 0 HG3 LYS B 32 15.423 24.153 7.157 1.00 1.63 H new ATOM 0 HD2 LYS B 32 14.478 26.525 7.294 1.00 2.28 H new ATOM 0 HD3 LYS B 32 15.273 26.693 8.847 1.00 2.28 H new ATOM 0 HE2 LYS B 32 17.476 26.349 7.842 1.00 3.34 H new ATOM 0 HE3 LYS B 32 16.765 25.904 6.304 1.00 3.34 H new ATOM 0 HZ1 LYS B 32 16.927 28.033 5.767 1.00 4.61 H new ATOM 0 HZ2 LYS B 32 15.684 28.361 6.877 1.00 4.61 H new ATOM 0 HZ3 LYS B 32 17.307 28.495 7.357 1.00 4.61 H new ATOM 2019 N GLU B 33 11.074 22.530 8.758 1.00 0.95 N ATOM 2020 CA GLU B 33 9.964 22.002 9.551 1.00 0.88 C ATOM 2021 C GLU B 33 9.758 20.498 9.283 1.00 0.81 C ATOM 2022 O GLU B 33 9.647 19.732 10.239 1.00 0.77 O ATOM 2023 CB GLU B 33 8.764 22.900 9.232 1.00 1.15 C ATOM 2024 CG GLU B 33 7.463 22.764 10.014 1.00 1.04 C ATOM 2025 CD GLU B 33 6.531 23.940 9.664 1.00 2.26 C ATOM 2026 OE1 GLU B 33 6.454 24.294 8.453 1.00 3.47 O ATOM 2027 OE2 GLU B 33 5.934 24.484 10.616 1.00 3.03 O ATOM 0 H GLU B 33 10.761 23.121 7.988 1.00 0.95 H new ATOM 0 HA GLU B 33 10.147 22.035 10.625 1.00 0.88 H new ATOM 0 HB2 GLU B 33 9.097 23.932 9.340 1.00 1.15 H new ATOM 0 HB3 GLU B 33 8.523 22.752 8.179 1.00 1.15 H new ATOM 0 HG2 GLU B 33 6.979 21.818 9.774 1.00 1.04 H new ATOM 0 HG3 GLU B 33 7.668 22.754 11.084 1.00 1.04 H new ATOM 2034 N LEU B 34 9.863 20.028 8.028 1.00 0.87 N ATOM 2035 CA LEU B 34 9.920 18.592 7.697 1.00 0.88 C ATOM 2036 C LEU B 34 11.161 17.908 8.285 1.00 0.79 C ATOM 2037 O LEU B 34 11.063 16.806 8.830 1.00 0.79 O ATOM 2038 CB LEU B 34 9.848 18.411 6.171 1.00 1.08 C ATOM 2039 CG LEU B 34 9.977 16.946 5.673 1.00 1.20 C ATOM 2040 CD1 LEU B 34 8.975 15.981 6.310 1.00 1.25 C ATOM 2041 CD2 LEU B 34 9.758 16.894 4.157 1.00 1.73 C ATOM 0 H LEU B 34 9.911 20.636 7.210 1.00 0.87 H new ATOM 0 HA LEU B 34 9.059 18.104 8.154 1.00 0.88 H new ATOM 0 HB2 LEU B 34 8.900 18.816 5.817 1.00 1.08 H new ATOM 0 HB3 LEU B 34 10.639 19.005 5.713 1.00 1.08 H new ATOM 0 HG LEU B 34 10.980 16.629 5.960 1.00 1.20 H new ATOM 0 HD11 LEU B 34 9.130 14.979 5.910 1.00 1.25 H new ATOM 0 HD12 LEU B 34 9.120 15.967 7.390 1.00 1.25 H new ATOM 0 HD13 LEU B 34 7.960 16.309 6.084 1.00 1.25 H new ATOM 0 HD21 LEU B 34 9.849 15.864 3.811 1.00 1.73 H new ATOM 0 HD22 LEU B 34 8.762 17.269 3.920 1.00 1.73 H new ATOM 0 HD23 LEU B 34 10.506 17.511 3.660 1.00 1.73 H new ATOM 2053 N LYS B 35 12.337 18.545 8.238 1.00 0.78 N ATOM 2054 CA LYS B 35 13.513 18.038 8.933 1.00 0.76 C ATOM 2055 C LYS B 35 13.224 17.817 10.430 1.00 0.70 C ATOM 2056 O LYS B 35 13.688 16.831 11.003 1.00 0.85 O ATOM 2057 CB LYS B 35 14.632 19.048 8.628 1.00 0.91 C ATOM 2058 CG LYS B 35 15.906 18.987 9.458 1.00 0.99 C ATOM 2059 CD LYS B 35 15.690 19.416 10.914 1.00 2.20 C ATOM 2060 CE LYS B 35 16.970 20.059 11.392 1.00 2.83 C ATOM 2061 NZ LYS B 35 16.870 20.419 12.828 1.00 4.68 N ATOM 0 H LYS B 35 12.494 19.412 7.724 1.00 0.78 H new ATOM 0 HA LYS B 35 13.820 17.049 8.593 1.00 0.76 H new ATOM 0 HB2 LYS B 35 14.911 18.928 7.581 1.00 0.91 H new ATOM 0 HB3 LYS B 35 14.214 20.049 8.734 1.00 0.91 H new ATOM 0 HG2 LYS B 35 16.298 17.970 9.438 1.00 0.99 H new ATOM 0 HG3 LYS B 35 16.661 19.629 9.004 1.00 0.99 H new ATOM 0 HD2 LYS B 35 14.858 20.116 10.988 1.00 2.20 H new ATOM 0 HD3 LYS B 35 15.438 18.556 11.534 1.00 2.20 H new ATOM 0 HE2 LYS B 35 17.805 19.375 11.240 1.00 2.83 H new ATOM 0 HE3 LYS B 35 17.177 20.951 10.802 1.00 2.83 H new ATOM 0 HZ1 LYS B 35 17.550 21.176 13.044 1.00 4.68 H new ATOM 0 HZ2 LYS B 35 15.906 20.749 13.037 1.00 4.68 H new ATOM 0 HZ3 LYS B 35 17.084 19.585 13.411 1.00 4.68 H new ATOM 2075 N GLU B 36 12.481 18.734 11.052 1.00 0.62 N ATOM 2076 CA GLU B 36 12.196 18.723 12.476 1.00 0.64 C ATOM 2077 C GLU B 36 11.114 17.709 12.854 1.00 0.59 C ATOM 2078 O GLU B 36 11.260 17.042 13.879 1.00 0.67 O ATOM 2079 CB GLU B 36 11.823 20.148 12.910 1.00 0.79 C ATOM 2080 CG GLU B 36 12.105 20.379 14.391 1.00 1.19 C ATOM 2081 CD GLU B 36 13.592 20.153 14.723 1.00 2.25 C ATOM 2082 OE1 GLU B 36 14.469 20.566 13.929 1.00 3.36 O ATOM 2083 OE2 GLU B 36 13.867 19.525 15.770 1.00 3.08 O ATOM 0 H GLU B 36 12.054 19.520 10.563 1.00 0.62 H new ATOM 0 HA GLU B 36 13.089 18.400 13.010 1.00 0.64 H new ATOM 0 HB2 GLU B 36 12.385 20.868 12.316 1.00 0.79 H new ATOM 0 HB3 GLU B 36 10.766 20.325 12.709 1.00 0.79 H new ATOM 0 HG2 GLU B 36 11.821 21.396 14.663 1.00 1.19 H new ATOM 0 HG3 GLU B 36 11.491 19.706 14.989 1.00 1.19 H new ATOM 2090 N LEU B 37 10.080 17.546 12.013 1.00 0.58 N ATOM 2091 CA LEU B 37 9.035 16.525 12.137 1.00 0.62 C ATOM 2092 C LEU B 37 9.678 15.155 12.347 1.00 0.65 C ATOM 2093 O LEU B 37 9.435 14.537 13.380 1.00 0.67 O ATOM 2094 CB LEU B 37 8.102 16.611 10.899 1.00 0.68 C ATOM 2095 CG LEU B 37 7.248 15.373 10.516 1.00 0.73 C ATOM 2096 CD1 LEU B 37 6.258 14.899 11.585 1.00 0.96 C ATOM 2097 CD2 LEU B 37 6.430 15.683 9.251 1.00 1.25 C ATOM 0 H LEU B 37 9.947 18.146 11.199 1.00 0.58 H new ATOM 0 HA LEU B 37 8.409 16.695 13.013 1.00 0.62 H new ATOM 0 HB2 LEU B 37 7.419 17.446 11.058 1.00 0.68 H new ATOM 0 HB3 LEU B 37 8.720 16.864 10.038 1.00 0.68 H new ATOM 0 HG LEU B 37 7.975 14.574 10.375 1.00 0.73 H new ATOM 0 HD11 LEU B 37 5.713 14.030 11.216 1.00 0.96 H new ATOM 0 HD12 LEU B 37 6.802 14.629 12.490 1.00 0.96 H new ATOM 0 HD13 LEU B 37 5.554 15.700 11.810 1.00 0.96 H new ATOM 0 HD21 LEU B 37 5.831 14.813 8.983 1.00 1.25 H new ATOM 0 HD22 LEU B 37 5.773 16.532 9.441 1.00 1.25 H new ATOM 0 HD23 LEU B 37 7.106 15.925 8.431 1.00 1.25 H new ATOM 2109 N ILE B 38 10.577 14.750 11.447 1.00 0.68 N ATOM 2110 CA ILE B 38 11.334 13.484 11.497 1.00 0.76 C ATOM 2111 C ILE B 38 12.162 13.344 12.794 1.00 0.81 C ATOM 2112 O ILE B 38 12.401 12.234 13.254 1.00 1.04 O ATOM 2113 CB ILE B 38 12.209 13.400 10.220 1.00 0.83 C ATOM 2114 CG1 ILE B 38 11.337 13.413 8.934 1.00 1.18 C ATOM 2115 CG2 ILE B 38 13.112 12.150 10.221 1.00 1.19 C ATOM 2116 CD1 ILE B 38 12.118 13.837 7.685 1.00 1.50 C ATOM 0 H ILE B 38 10.811 15.313 10.629 1.00 0.68 H new ATOM 0 HA ILE B 38 10.641 12.643 11.518 1.00 0.76 H new ATOM 0 HB ILE B 38 12.847 14.284 10.224 1.00 0.83 H new ATOM 0 HG12 ILE B 38 10.920 12.419 8.775 1.00 1.18 H new ATOM 0 HG13 ILE B 38 10.497 14.092 9.078 1.00 1.18 H new ATOM 0 HG21 ILE B 38 13.708 12.131 9.308 1.00 1.19 H new ATOM 0 HG22 ILE B 38 13.774 12.180 11.086 1.00 1.19 H new ATOM 0 HG23 ILE B 38 12.493 11.254 10.269 1.00 1.19 H new ATOM 0 HD11 ILE B 38 11.455 13.826 6.820 1.00 1.50 H new ATOM 0 HD12 ILE B 38 12.513 14.843 7.827 1.00 1.50 H new ATOM 0 HD13 ILE B 38 12.942 13.144 7.519 1.00 1.50 H new ATOM 2128 N LYS B 39 12.580 14.456 13.408 1.00 0.80 N ATOM 2129 CA LYS B 39 13.273 14.502 14.696 1.00 0.91 C ATOM 2130 C LYS B 39 12.355 14.529 15.936 1.00 0.95 C ATOM 2131 O LYS B 39 12.856 14.498 17.061 1.00 1.10 O ATOM 2132 CB LYS B 39 14.259 15.697 14.669 1.00 1.12 C ATOM 2133 CG LYS B 39 15.712 15.210 14.668 1.00 1.25 C ATOM 2134 CD LYS B 39 16.097 14.606 16.024 1.00 2.12 C ATOM 2135 CE LYS B 39 17.166 13.533 15.854 1.00 2.10 C ATOM 2136 NZ LYS B 39 17.389 12.813 17.126 1.00 2.98 N ATOM 0 H LYS B 39 12.439 15.382 13.005 1.00 0.80 H new ATOM 0 HA LYS B 39 13.810 13.561 14.813 1.00 0.91 H new ATOM 0 HB2 LYS B 39 14.075 16.305 13.783 1.00 1.12 H new ATOM 0 HB3 LYS B 39 14.086 16.335 15.535 1.00 1.12 H new ATOM 0 HG2 LYS B 39 15.848 14.465 13.884 1.00 1.25 H new ATOM 0 HG3 LYS B 39 16.377 16.042 14.436 1.00 1.25 H new ATOM 0 HD2 LYS B 39 16.465 15.390 16.686 1.00 2.12 H new ATOM 0 HD3 LYS B 39 15.215 14.176 16.499 1.00 2.12 H new ATOM 0 HE2 LYS B 39 16.862 12.829 15.080 1.00 2.10 H new ATOM 0 HE3 LYS B 39 18.098 13.990 15.521 1.00 2.10 H new ATOM 0 HZ1 LYS B 39 18.410 12.724 17.300 1.00 2.98 H new ATOM 0 HZ2 LYS B 39 16.950 13.342 17.906 1.00 2.98 H new ATOM 0 HZ3 LYS B 39 16.964 11.866 17.068 1.00 2.98 H new ATOM 2150 N LYS B 40 11.037 14.651 15.768 1.00 0.96 N ATOM 2151 CA LYS B 40 10.022 14.613 16.822 1.00 1.12 C ATOM 2152 C LYS B 40 9.111 13.374 16.750 1.00 1.25 C ATOM 2153 O LYS B 40 8.789 12.815 17.794 1.00 1.48 O ATOM 2154 CB LYS B 40 9.192 15.900 16.685 1.00 1.10 C ATOM 2155 CG LYS B 40 9.682 17.071 17.530 1.00 1.34 C ATOM 2156 CD LYS B 40 11.162 17.433 17.378 1.00 1.47 C ATOM 2157 CE LYS B 40 11.409 18.757 18.094 1.00 1.61 C ATOM 2158 NZ LYS B 40 12.858 19.032 18.210 1.00 2.34 N ATOM 0 H LYS B 40 10.627 14.786 14.844 1.00 0.96 H new ATOM 0 HA LYS B 40 10.518 14.547 17.790 1.00 1.12 H new ATOM 0 HB2 LYS B 40 9.188 16.203 15.638 1.00 1.10 H new ATOM 0 HB3 LYS B 40 8.160 15.680 16.958 1.00 1.10 H new ATOM 0 HG2 LYS B 40 9.086 17.949 17.280 1.00 1.34 H new ATOM 0 HG3 LYS B 40 9.490 16.843 18.578 1.00 1.34 H new ATOM 0 HD2 LYS B 40 11.790 16.649 17.802 1.00 1.47 H new ATOM 0 HD3 LYS B 40 11.426 17.517 16.324 1.00 1.47 H new ATOM 0 HE2 LYS B 40 10.924 19.566 17.548 1.00 1.61 H new ATOM 0 HE3 LYS B 40 10.960 18.728 19.087 1.00 1.61 H new ATOM 0 HZ1 LYS B 40 13.000 19.989 18.592 1.00 2.34 H new ATOM 0 HZ2 LYS B 40 13.293 18.336 18.848 1.00 2.34 H new ATOM 0 HZ3 LYS B 40 13.300 18.965 17.271 1.00 2.34 H new ATOM 2172 N GLU B 41 8.678 12.950 15.560 1.00 1.21 N ATOM 2173 CA GLU B 41 7.908 11.711 15.352 1.00 1.38 C ATOM 2174 C GLU B 41 8.779 10.454 15.436 1.00 1.28 C ATOM 2175 O GLU B 41 8.266 9.362 15.689 1.00 1.58 O ATOM 2176 CB GLU B 41 7.179 11.723 14.001 1.00 1.69 C ATOM 2177 CG GLU B 41 8.095 11.914 12.783 1.00 2.55 C ATOM 2178 CD GLU B 41 7.789 10.916 11.680 1.00 4.14 C ATOM 2179 OE1 GLU B 41 6.822 11.193 10.940 1.00 4.74 O ATOM 2180 OE2 GLU B 41 8.507 9.900 11.580 1.00 5.28 O ATOM 0 H GLU B 41 8.853 13.464 14.696 1.00 1.21 H new ATOM 0 HA GLU B 41 7.179 11.678 16.161 1.00 1.38 H new ATOM 0 HB2 GLU B 41 6.636 10.785 13.887 1.00 1.69 H new ATOM 0 HB3 GLU B 41 6.437 12.521 14.010 1.00 1.69 H new ATOM 0 HG2 GLU B 41 7.980 12.927 12.398 1.00 2.55 H new ATOM 0 HG3 GLU B 41 9.135 11.807 13.091 1.00 2.55 H new ATOM 2187 N LEU B 42 10.093 10.629 15.278 1.00 1.02 N ATOM 2188 CA LEU B 42 11.095 9.591 15.331 1.00 1.08 C ATOM 2189 C LEU B 42 12.426 10.142 15.862 1.00 1.22 C ATOM 2190 O LEU B 42 12.637 11.336 16.069 1.00 1.34 O ATOM 2191 CB LEU B 42 11.215 8.940 13.928 1.00 1.26 C ATOM 2192 CG LEU B 42 10.649 7.506 13.864 1.00 1.39 C ATOM 2193 CD1 LEU B 42 10.613 7.012 12.409 1.00 1.80 C ATOM 2194 CD2 LEU B 42 11.494 6.527 14.699 1.00 1.97 C ATOM 0 H LEU B 42 10.495 11.550 15.101 1.00 1.02 H new ATOM 0 HA LEU B 42 10.799 8.813 16.035 1.00 1.08 H new ATOM 0 HB2 LEU B 42 10.691 9.562 13.202 1.00 1.26 H new ATOM 0 HB3 LEU B 42 12.264 8.921 13.633 1.00 1.26 H new ATOM 0 HG LEU B 42 9.640 7.538 14.274 1.00 1.39 H new ATOM 0 HD11 LEU B 42 10.212 5.999 12.378 1.00 1.80 H new ATOM 0 HD12 LEU B 42 9.979 7.672 11.816 1.00 1.80 H new ATOM 0 HD13 LEU B 42 11.623 7.015 11.999 1.00 1.80 H new ATOM 0 HD21 LEU B 42 11.066 5.527 14.631 1.00 1.97 H new ATOM 0 HD22 LEU B 42 12.515 6.511 14.318 1.00 1.97 H new ATOM 0 HD23 LEU B 42 11.500 6.848 15.740 1.00 1.97 H new ATOM 2206 N CYS B 43 13.333 9.202 16.106 1.00 1.81 N ATOM 2207 CA CYS B 43 14.684 9.411 16.590 1.00 2.11 C ATOM 2208 C CYS B 43 15.529 8.300 15.957 1.00 2.33 C ATOM 2209 O CYS B 43 15.113 7.141 15.929 1.00 3.18 O ATOM 2210 CB CYS B 43 14.628 9.391 18.121 1.00 2.18 C ATOM 2211 SG CYS B 43 16.045 10.247 18.844 1.00 3.47 S ATOM 0 H CYS B 43 13.127 8.214 15.960 1.00 1.81 H new ATOM 0 HA CYS B 43 15.135 10.365 16.317 1.00 2.11 H new ATOM 0 HB2 CYS B 43 13.705 9.862 18.459 1.00 2.18 H new ATOM 0 HB3 CYS B 43 14.606 8.359 18.472 1.00 2.18 H new ATOM 0 HG CYS B 43 15.959 10.209 20.141 1.00 3.47 H new ATOM 2217 N LEU B 44 16.613 8.681 15.286 1.00 2.58 N ATOM 2218 CA LEU B 44 17.111 7.965 14.100 1.00 3.21 C ATOM 2219 C LEU B 44 18.616 8.098 13.891 1.00 3.80 C ATOM 2220 O LEU B 44 19.213 7.172 13.356 1.00 4.60 O ATOM 2221 CB LEU B 44 16.409 8.533 12.844 1.00 3.62 C ATOM 2222 CG LEU B 44 14.973 8.033 12.606 1.00 3.71 C ATOM 2223 CD1 LEU B 44 14.293 8.919 11.556 1.00 4.68 C ATOM 2224 CD2 LEU B 44 14.958 6.573 12.135 1.00 3.96 C ATOM 0 H LEU B 44 17.175 9.493 15.543 1.00 2.58 H new ATOM 0 HA LEU B 44 16.893 6.909 14.261 1.00 3.21 H new ATOM 0 HB2 LEU B 44 16.389 9.620 12.921 1.00 3.62 H new ATOM 0 HB3 LEU B 44 17.011 8.286 11.969 1.00 3.62 H new ATOM 0 HG LEU B 44 14.432 8.088 13.551 1.00 3.71 H new ATOM 0 HD11 LEU B 44 13.276 8.566 11.386 1.00 4.68 H new ATOM 0 HD12 LEU B 44 14.265 9.949 11.912 1.00 4.68 H new ATOM 0 HD13 LEU B 44 14.854 8.873 10.622 1.00 4.68 H new ATOM 0 HD21 LEU B 44 13.928 6.252 11.977 1.00 3.96 H new ATOM 0 HD22 LEU B 44 15.513 6.486 11.201 1.00 3.96 H new ATOM 0 HD23 LEU B 44 15.422 5.942 12.893 1.00 3.96 H new ATOM 2236 N GLY B 45 19.214 9.217 14.303 1.00 3.91 N ATOM 2237 CA GLY B 45 20.631 9.534 14.025 1.00 4.62 C ATOM 2238 C GLY B 45 21.543 8.891 15.061 1.00 3.84 C ATOM 2239 O GLY B 45 22.506 8.206 14.741 1.00 4.60 O ATOM 0 H GLY B 45 18.734 9.937 14.842 1.00 3.91 H new ATOM 0 HA2 GLY B 45 20.899 9.181 13.029 1.00 4.62 H new ATOM 0 HA3 GLY B 45 20.774 10.615 14.029 1.00 4.62 H new ATOM 2242 N GLU B 46 21.106 9.004 16.308 1.00 2.90 N ATOM 2243 CA GLU B 46 21.506 8.227 17.482 1.00 2.47 C ATOM 2244 C GLU B 46 20.994 6.767 17.438 1.00 2.17 C ATOM 2245 O GLU B 46 20.961 6.082 18.456 1.00 2.95 O ATOM 2246 CB GLU B 46 21.029 8.965 18.750 1.00 3.15 C ATOM 2247 CG GLU B 46 19.513 9.234 18.783 1.00 3.76 C ATOM 2248 CD GLU B 46 19.117 10.424 17.907 1.00 4.93 C ATOM 2249 OE1 GLU B 46 19.381 11.575 18.289 1.00 5.87 O ATOM 2250 OE2 GLU B 46 18.523 10.245 16.812 1.00 5.56 O ATOM 0 H GLU B 46 20.401 9.701 16.549 1.00 2.90 H new ATOM 0 HA GLU B 46 22.593 8.148 17.492 1.00 2.47 H new ATOM 0 HB2 GLU B 46 21.303 8.376 19.626 1.00 3.15 H new ATOM 0 HB3 GLU B 46 21.558 9.915 18.826 1.00 3.15 H new ATOM 0 HG2 GLU B 46 18.981 8.344 18.446 1.00 3.76 H new ATOM 0 HG3 GLU B 46 19.202 9.422 19.810 1.00 3.76 H new ATOM 2257 N MET B 47 20.547 6.283 16.271 1.00 2.06 N ATOM 2258 CA MET B 47 20.228 4.885 16.007 1.00 2.29 C ATOM 2259 C MET B 47 21.051 4.355 14.822 1.00 2.05 C ATOM 2260 O MET B 47 21.529 3.223 14.870 1.00 2.73 O ATOM 2261 CB MET B 47 18.726 4.770 15.718 1.00 3.06 C ATOM 2262 CG MET B 47 18.251 3.374 16.115 1.00 3.54 C ATOM 2263 SD MET B 47 16.944 2.672 15.072 1.00 4.07 S ATOM 2264 CE MET B 47 15.606 3.837 15.427 1.00 3.17 C ATOM 0 H MET B 47 20.394 6.881 15.459 1.00 2.06 H new ATOM 0 HA MET B 47 20.480 4.281 16.879 1.00 2.29 H new ATOM 0 HB2 MET B 47 18.176 5.528 16.276 1.00 3.06 H new ATOM 0 HB3 MET B 47 18.531 4.948 14.660 1.00 3.06 H new ATOM 0 HG2 MET B 47 19.107 2.699 16.099 1.00 3.54 H new ATOM 0 HG3 MET B 47 17.892 3.410 17.144 1.00 3.54 H new ATOM 0 HE1 MET B 47 14.717 3.553 14.864 1.00 3.17 H new ATOM 0 HE2 MET B 47 15.381 3.819 16.493 1.00 3.17 H new ATOM 0 HE3 MET B 47 15.913 4.842 15.138 1.00 3.17 H new ATOM 2274 N LYS B 48 21.135 5.145 13.745 1.00 1.78 N ATOM 2275 CA LYS B 48 21.859 5.012 12.498 1.00 1.87 C ATOM 2276 C LYS B 48 22.542 6.345 12.109 1.00 2.01 C ATOM 2277 O LYS B 48 21.876 7.322 11.768 1.00 2.56 O ATOM 2278 CB LYS B 48 20.775 4.661 11.469 1.00 2.23 C ATOM 2279 CG LYS B 48 20.935 3.249 10.960 1.00 2.78 C ATOM 2280 CD LYS B 48 20.843 2.103 11.976 1.00 2.91 C ATOM 2281 CE LYS B 48 19.534 2.162 12.777 1.00 3.56 C ATOM 2282 NZ LYS B 48 19.503 1.144 13.848 1.00 4.72 N ATOM 0 H LYS B 48 20.613 6.021 13.742 1.00 1.78 H new ATOM 0 HA LYS B 48 22.649 4.263 12.560 1.00 1.87 H new ATOM 0 HB2 LYS B 48 19.790 4.777 11.922 1.00 2.23 H new ATOM 0 HB3 LYS B 48 20.825 5.359 10.633 1.00 2.23 H new ATOM 0 HG2 LYS B 48 20.175 3.081 10.197 1.00 2.78 H new ATOM 0 HG3 LYS B 48 21.904 3.180 10.465 1.00 2.78 H new ATOM 0 HD2 LYS B 48 20.909 1.148 11.455 1.00 2.91 H new ATOM 0 HD3 LYS B 48 21.691 2.153 12.659 1.00 2.91 H new ATOM 0 HE2 LYS B 48 19.419 3.154 13.214 1.00 3.56 H new ATOM 0 HE3 LYS B 48 18.689 2.010 12.105 1.00 3.56 H new ATOM 0 HZ1 LYS B 48 18.699 1.330 14.481 1.00 4.72 H new ATOM 0 HZ2 LYS B 48 19.400 0.199 13.426 1.00 4.72 H new ATOM 0 HZ3 LYS B 48 20.388 1.185 14.392 1.00 4.72 H new ATOM 2296 N GLU B 49 23.870 6.360 12.108 1.00 2.10 N ATOM 2297 CA GLU B 49 24.682 7.532 11.755 1.00 2.40 C ATOM 2298 C GLU B 49 24.894 7.669 10.239 1.00 2.05 C ATOM 2299 O GLU B 49 24.609 6.751 9.472 1.00 2.74 O ATOM 2300 CB GLU B 49 26.039 7.464 12.466 1.00 3.44 C ATOM 2301 CG GLU B 49 25.911 7.719 13.967 1.00 4.06 C ATOM 2302 CD GLU B 49 27.296 7.717 14.595 1.00 5.39 C ATOM 2303 OE1 GLU B 49 28.011 8.725 14.402 1.00 6.01 O ATOM 2304 OE2 GLU B 49 27.636 6.686 15.215 1.00 6.46 O ATOM 0 H GLU B 49 24.429 5.544 12.357 1.00 2.10 H new ATOM 0 HA GLU B 49 24.132 8.413 12.085 1.00 2.40 H new ATOM 0 HB2 GLU B 49 26.486 6.484 12.301 1.00 3.44 H new ATOM 0 HB3 GLU B 49 26.715 8.200 12.029 1.00 3.44 H new ATOM 0 HG2 GLU B 49 25.420 8.676 14.145 1.00 4.06 H new ATOM 0 HG3 GLU B 49 25.289 6.951 14.427 1.00 4.06 H new ATOM 2311 N SER B 50 25.412 8.825 9.806 1.00 2.01 N ATOM 2312 CA SER B 50 25.855 9.139 8.430 1.00 2.04 C ATOM 2313 C SER B 50 24.706 9.261 7.418 1.00 2.01 C ATOM 2314 O SER B 50 24.478 10.340 6.874 1.00 3.20 O ATOM 2315 CB SER B 50 26.920 8.129 7.962 1.00 2.54 C ATOM 2316 OG SER B 50 27.555 8.528 6.759 1.00 3.69 O ATOM 0 H SER B 50 25.543 9.615 10.438 1.00 2.01 H new ATOM 0 HA SER B 50 26.303 10.132 8.471 1.00 2.04 H new ATOM 0 HB2 SER B 50 27.671 8.010 8.743 1.00 2.54 H new ATOM 0 HB3 SER B 50 26.453 7.155 7.817 1.00 2.54 H new ATOM 0 HG SER B 50 28.223 7.858 6.503 1.00 3.69 H new ATOM 2322 N SER B 51 23.933 8.203 7.175 1.00 1.63 N ATOM 2323 CA SER B 51 22.910 8.162 6.120 1.00 1.78 C ATOM 2324 C SER B 51 21.737 9.115 6.387 1.00 1.67 C ATOM 2325 O SER B 51 21.066 9.555 5.460 1.00 2.06 O ATOM 2326 CB SER B 51 22.372 6.730 5.979 1.00 2.30 C ATOM 2327 OG SER B 51 23.425 5.776 6.010 1.00 2.25 O ATOM 0 H SER B 51 23.997 7.337 7.710 1.00 1.63 H new ATOM 0 HA SER B 51 23.392 8.488 5.199 1.00 1.78 H new ATOM 0 HB2 SER B 51 21.668 6.523 6.785 1.00 2.30 H new ATOM 0 HB3 SER B 51 21.822 6.637 5.043 1.00 2.30 H new ATOM 0 HG SER B 51 23.052 4.874 5.920 1.00 2.25 H new ATOM 2333 N ILE B 52 21.496 9.468 7.656 1.00 1.47 N ATOM 2334 CA ILE B 52 20.530 10.519 8.024 1.00 1.58 C ATOM 2335 C ILE B 52 20.956 11.911 7.556 1.00 1.32 C ATOM 2336 O ILE B 52 20.096 12.759 7.343 1.00 1.49 O ATOM 2337 CB ILE B 52 20.273 10.535 9.553 1.00 2.05 C ATOM 2338 CG1 ILE B 52 21.532 10.887 10.390 1.00 2.34 C ATOM 2339 CG2 ILE B 52 19.658 9.209 10.024 1.00 2.42 C ATOM 2340 CD1 ILE B 52 21.550 12.354 10.840 1.00 2.62 C ATOM 0 H ILE B 52 21.961 9.037 8.455 1.00 1.47 H new ATOM 0 HA ILE B 52 19.605 10.269 7.505 1.00 1.58 H new ATOM 0 HB ILE B 52 19.557 11.338 9.727 1.00 2.05 H new ATOM 0 HG12 ILE B 52 21.573 10.241 11.267 1.00 2.34 H new ATOM 0 HG13 ILE B 52 22.425 10.681 9.800 1.00 2.34 H new ATOM 0 HG21 ILE B 52 19.489 9.248 11.100 1.00 2.42 H new ATOM 0 HG22 ILE B 52 18.709 9.046 9.513 1.00 2.42 H new ATOM 0 HG23 ILE B 52 20.339 8.390 9.794 1.00 2.42 H new ATOM 0 HD11 ILE B 52 22.452 12.545 11.421 1.00 2.62 H new ATOM 0 HD12 ILE B 52 21.538 13.003 9.965 1.00 2.62 H new ATOM 0 HD13 ILE B 52 20.673 12.557 11.454 1.00 2.62 H new ATOM 2352 N ASP B 53 22.260 12.161 7.446 1.00 1.19 N ATOM 2353 CA ASP B 53 22.833 13.503 7.318 1.00 1.26 C ATOM 2354 C ASP B 53 22.984 13.924 5.851 1.00 1.18 C ATOM 2355 O ASP B 53 22.681 15.067 5.508 1.00 1.29 O ATOM 2356 CB ASP B 53 24.178 13.522 8.072 1.00 1.51 C ATOM 2357 CG ASP B 53 24.791 14.920 8.121 1.00 2.25 C ATOM 2358 OD1 ASP B 53 24.106 15.856 8.592 1.00 2.54 O ATOM 2359 OD2 ASP B 53 25.904 15.107 7.579 1.00 3.40 O ATOM 0 H ASP B 53 22.963 11.422 7.443 1.00 1.19 H new ATOM 0 HA ASP B 53 22.158 14.236 7.761 1.00 1.26 H new ATOM 0 HB2 ASP B 53 24.028 13.157 9.088 1.00 1.51 H new ATOM 0 HB3 ASP B 53 24.875 12.838 7.587 1.00 1.51 H new ATOM 2364 N ASP B 54 23.396 13.004 4.969 1.00 1.12 N ATOM 2365 CA ASP B 54 23.372 13.226 3.516 1.00 1.14 C ATOM 2366 C ASP B 54 21.953 13.535 3.018 1.00 1.04 C ATOM 2367 O ASP B 54 21.719 14.587 2.420 1.00 1.08 O ATOM 2368 CB ASP B 54 23.923 12.000 2.771 1.00 1.27 C ATOM 2369 CG ASP B 54 23.821 12.234 1.260 1.00 1.55 C ATOM 2370 OD1 ASP B 54 24.677 12.984 0.741 1.00 2.25 O ATOM 2371 OD2 ASP B 54 22.842 11.744 0.654 1.00 2.33 O ATOM 0 H ASP B 54 23.754 12.088 5.240 1.00 1.12 H new ATOM 0 HA ASP B 54 24.006 14.088 3.309 1.00 1.14 H new ATOM 0 HB2 ASP B 54 24.961 11.825 3.054 1.00 1.27 H new ATOM 0 HB3 ASP B 54 23.362 11.108 3.051 1.00 1.27 H new ATOM 2376 N LEU B 55 20.998 12.639 3.307 1.00 1.00 N ATOM 2377 CA LEU B 55 19.628 12.716 2.794 1.00 1.11 C ATOM 2378 C LEU B 55 18.952 14.020 3.229 1.00 1.20 C ATOM 2379 O LEU B 55 18.308 14.672 2.408 1.00 1.34 O ATOM 2380 CB LEU B 55 18.829 11.481 3.246 1.00 1.11 C ATOM 2381 CG LEU B 55 19.379 10.134 2.745 1.00 1.17 C ATOM 2382 CD1 LEU B 55 18.577 8.983 3.372 1.00 1.17 C ATOM 2383 CD2 LEU B 55 19.341 10.013 1.212 1.00 1.26 C ATOM 0 H LEU B 55 21.160 11.833 3.910 1.00 1.00 H new ATOM 0 HA LEU B 55 19.658 12.721 1.704 1.00 1.11 H new ATOM 0 HB2 LEU B 55 18.802 11.463 4.336 1.00 1.11 H new ATOM 0 HB3 LEU B 55 17.800 11.587 2.903 1.00 1.11 H new ATOM 0 HG LEU B 55 20.424 10.079 3.049 1.00 1.17 H new ATOM 0 HD11 LEU B 55 18.969 8.030 3.016 1.00 1.17 H new ATOM 0 HD12 LEU B 55 18.664 9.028 4.458 1.00 1.17 H new ATOM 0 HD13 LEU B 55 17.528 9.073 3.088 1.00 1.17 H new ATOM 0 HD21 LEU B 55 19.740 9.044 0.914 1.00 1.26 H new ATOM 0 HD22 LEU B 55 18.312 10.104 0.865 1.00 1.26 H new ATOM 0 HD23 LEU B 55 19.944 10.806 0.769 1.00 1.26 H new ATOM 2395 N MET B 56 19.161 14.434 4.483 1.00 1.22 N ATOM 2396 CA MET B 56 18.683 15.729 4.985 1.00 1.43 C ATOM 2397 C MET B 56 19.272 16.894 4.189 1.00 1.60 C ATOM 2398 O MET B 56 18.503 17.666 3.623 1.00 2.08 O ATOM 2399 CB MET B 56 18.966 15.859 6.487 1.00 1.53 C ATOM 2400 CG MET B 56 17.980 15.020 7.291 1.00 1.61 C ATOM 2401 SD MET B 56 16.281 15.644 7.297 1.00 2.39 S ATOM 2402 CE MET B 56 15.916 15.161 8.986 1.00 1.78 C ATOM 0 H MET B 56 19.665 13.883 5.178 1.00 1.22 H new ATOM 0 HA MET B 56 17.603 15.771 4.844 1.00 1.43 H new ATOM 0 HB2 MET B 56 19.985 15.537 6.700 1.00 1.53 H new ATOM 0 HB3 MET B 56 18.893 16.904 6.788 1.00 1.53 H new ATOM 0 HG2 MET B 56 17.978 14.006 6.892 1.00 1.61 H new ATOM 0 HG3 MET B 56 18.333 14.957 8.320 1.00 1.61 H new ATOM 0 HE1 MET B 56 14.842 15.232 9.161 1.00 1.78 H new ATOM 0 HE2 MET B 56 16.243 14.134 9.150 1.00 1.78 H new ATOM 0 HE3 MET B 56 16.441 15.823 9.675 1.00 1.78 H new ATOM 2412 N LYS B 57 20.599 16.977 4.032 1.00 1.35 N ATOM 2413 CA LYS B 57 21.253 17.972 3.151 1.00 1.47 C ATOM 2414 C LYS B 57 20.763 17.882 1.700 1.00 1.48 C ATOM 2415 O LYS B 57 20.795 18.860 0.950 1.00 1.71 O ATOM 2416 CB LYS B 57 22.789 17.822 3.180 1.00 1.52 C ATOM 2417 CG LYS B 57 23.429 18.850 4.121 1.00 1.40 C ATOM 2418 CD LYS B 57 23.144 18.537 5.595 1.00 2.23 C ATOM 2419 CE LYS B 57 24.384 18.003 6.312 1.00 3.16 C ATOM 2420 NZ LYS B 57 24.898 16.762 5.693 1.00 4.37 N ATOM 0 H LYS B 57 21.256 16.359 4.509 1.00 1.35 H new ATOM 0 HA LYS B 57 20.976 18.950 3.544 1.00 1.47 H new ATOM 0 HB2 LYS B 57 23.053 16.815 3.504 1.00 1.52 H new ATOM 0 HB3 LYS B 57 23.188 17.948 2.174 1.00 1.52 H new ATOM 0 HG2 LYS B 57 24.506 18.870 3.957 1.00 1.40 H new ATOM 0 HG3 LYS B 57 23.051 19.844 3.882 1.00 1.40 H new ATOM 0 HD2 LYS B 57 22.794 19.439 6.097 1.00 2.23 H new ATOM 0 HD3 LYS B 57 22.341 17.803 5.662 1.00 2.23 H new ATOM 0 HE2 LYS B 57 25.165 18.764 6.299 1.00 3.16 H new ATOM 0 HE3 LYS B 57 24.143 17.812 7.358 1.00 3.16 H new ATOM 0 HZ1 LYS B 57 25.604 16.327 6.321 1.00 4.37 H new ATOM 0 HZ2 LYS B 57 24.112 16.098 5.543 1.00 4.37 H new ATOM 0 HZ3 LYS B 57 25.340 16.987 4.779 1.00 4.37 H new ATOM 2434 N SER B 58 20.299 16.712 1.284 1.00 1.33 N ATOM 2435 CA SER B 58 19.733 16.513 -0.043 1.00 1.51 C ATOM 2436 C SER B 58 18.323 17.107 -0.229 1.00 1.79 C ATOM 2437 O SER B 58 17.960 17.400 -1.371 1.00 2.13 O ATOM 2438 CB SER B 58 19.829 15.051 -0.492 1.00 1.54 C ATOM 2439 OG SER B 58 20.128 15.004 -1.885 1.00 2.29 O ATOM 0 H SER B 58 20.305 15.870 1.860 1.00 1.33 H new ATOM 0 HA SER B 58 20.360 17.098 -0.716 1.00 1.51 H new ATOM 0 HB2 SER B 58 20.603 14.535 0.075 1.00 1.54 H new ATOM 0 HB3 SER B 58 18.890 14.535 -0.292 1.00 1.54 H new ATOM 0 HG SER B 58 20.192 14.070 -2.175 1.00 2.29 H new ATOM 2445 N LEU B 59 17.579 17.378 0.858 1.00 1.79 N ATOM 2446 CA LEU B 59 16.291 18.090 0.854 1.00 2.15 C ATOM 2447 C LEU B 59 16.472 19.556 1.260 1.00 2.01 C ATOM 2448 O LEU B 59 16.004 20.455 0.562 1.00 2.23 O ATOM 2449 CB LEU B 59 15.328 17.384 1.823 1.00 2.49 C ATOM 2450 CG LEU B 59 14.898 15.947 1.480 1.00 2.71 C ATOM 2451 CD1 LEU B 59 13.919 15.480 2.570 1.00 2.99 C ATOM 2452 CD2 LEU B 59 14.230 15.853 0.099 1.00 2.87 C ATOM 0 H LEU B 59 17.869 17.097 1.795 1.00 1.79 H new ATOM 0 HA LEU B 59 15.879 18.074 -0.155 1.00 2.15 H new ATOM 0 HB2 LEU B 59 15.794 17.369 2.808 1.00 2.49 H new ATOM 0 HB3 LEU B 59 14.428 17.993 1.905 1.00 2.49 H new ATOM 0 HG LEU B 59 15.783 15.311 1.443 1.00 2.71 H new ATOM 0 HD11 LEU B 59 13.594 14.462 2.355 1.00 2.99 H new ATOM 0 HD12 LEU B 59 14.415 15.506 3.540 1.00 2.99 H new ATOM 0 HD13 LEU B 59 13.052 16.141 2.588 1.00 2.99 H new ATOM 0 HD21 LEU B 59 13.944 14.820 -0.097 1.00 2.87 H new ATOM 0 HD22 LEU B 59 13.342 16.485 0.081 1.00 2.87 H new ATOM 0 HD23 LEU B 59 14.929 16.188 -0.667 1.00 2.87 H new ATOM 2464 N ASP B 60 17.205 19.797 2.350 1.00 1.78 N ATOM 2465 CA ASP B 60 17.624 21.117 2.853 1.00 1.78 C ATOM 2466 C ASP B 60 18.475 21.916 1.852 1.00 1.54 C ATOM 2467 O ASP B 60 18.680 23.114 2.020 1.00 1.69 O ATOM 2468 CB ASP B 60 18.325 20.945 4.206 1.00 1.88 C ATOM 2469 CG ASP B 60 17.312 20.997 5.353 1.00 3.04 C ATOM 2470 OD1 ASP B 60 16.857 22.112 5.680 1.00 3.38 O ATOM 2471 OD2 ASP B 60 16.900 19.907 5.815 1.00 4.39 O ATOM 0 H ASP B 60 17.543 19.038 2.941 1.00 1.78 H new ATOM 0 HA ASP B 60 16.727 21.721 2.989 1.00 1.78 H new ATOM 0 HB2 ASP B 60 18.857 19.994 4.227 1.00 1.88 H new ATOM 0 HB3 ASP B 60 19.070 21.730 4.337 1.00 1.88 H new ATOM 2476 N LYS B 61 18.849 21.258 0.756 1.00 1.42 N ATOM 2477 CA LYS B 61 19.144 21.797 -0.570 1.00 1.61 C ATOM 2478 C LYS B 61 18.389 23.107 -0.893 1.00 1.49 C ATOM 2479 O LYS B 61 19.006 24.039 -1.399 1.00 1.58 O ATOM 2480 CB LYS B 61 18.746 20.667 -1.546 1.00 1.90 C ATOM 2481 CG LYS B 61 19.272 20.755 -2.991 1.00 2.84 C ATOM 2482 CD LYS B 61 20.701 20.222 -3.195 1.00 2.94 C ATOM 2483 CE LYS B 61 20.962 18.783 -2.700 1.00 3.40 C ATOM 2484 NZ LYS B 61 20.004 17.771 -3.222 1.00 4.60 N ATOM 0 H LYS B 61 18.963 20.245 0.775 1.00 1.42 H new ATOM 0 HA LYS B 61 20.195 22.077 -0.644 1.00 1.61 H new ATOM 0 HB2 LYS B 61 19.085 19.722 -1.122 1.00 1.90 H new ATOM 0 HB3 LYS B 61 17.658 20.626 -1.587 1.00 1.90 H new ATOM 0 HG2 LYS B 61 18.597 20.200 -3.642 1.00 2.84 H new ATOM 0 HG3 LYS B 61 19.239 21.796 -3.311 1.00 2.84 H new ATOM 0 HD2 LYS B 61 20.937 20.268 -4.258 1.00 2.94 H new ATOM 0 HD3 LYS B 61 21.394 20.892 -2.686 1.00 2.94 H new ATOM 0 HE2 LYS B 61 21.972 18.491 -2.986 1.00 3.40 H new ATOM 0 HE3 LYS B 61 20.924 18.774 -1.611 1.00 3.40 H new ATOM 0 HZ1 LYS B 61 20.421 16.822 -3.136 1.00 4.60 H new ATOM 0 HZ2 LYS B 61 19.122 17.813 -2.673 1.00 4.60 H new ATOM 0 HZ3 LYS B 61 19.799 17.970 -4.222 1.00 4.60 H new ATOM 2498 N ASN B 62 17.081 23.201 -0.620 1.00 1.45 N ATOM 2499 CA ASN B 62 16.290 24.444 -0.714 1.00 1.51 C ATOM 2500 C ASN B 62 15.588 24.694 0.638 1.00 1.34 C ATOM 2501 O ASN B 62 14.443 24.310 0.854 1.00 2.41 O ATOM 2502 CB ASN B 62 15.309 24.365 -1.905 1.00 1.96 C ATOM 2503 CG ASN B 62 15.885 24.730 -3.278 1.00 2.59 C ATOM 2504 OD1 ASN B 62 15.140 25.018 -4.200 1.00 4.13 O ATOM 2505 ND2 ASN B 62 17.192 24.750 -3.489 1.00 2.47 N ATOM 0 H ASN B 62 16.527 22.399 -0.320 1.00 1.45 H new ATOM 0 HA ASN B 62 16.937 25.299 -0.911 1.00 1.51 H new ATOM 0 HB2 ASN B 62 14.914 23.351 -1.957 1.00 1.96 H new ATOM 0 HB3 ASN B 62 14.466 25.025 -1.700 1.00 1.96 H new ATOM 0 HD21 ASN B 62 17.556 25.003 -4.408 1.00 2.47 H new ATOM 0 HD22 ASN B 62 17.834 24.513 -2.733 1.00 2.47 H new ATOM 2512 N SER B 63 16.330 25.293 1.568 1.00 1.75 N ATOM 2513 CA SER B 63 16.243 25.067 3.023 1.00 1.67 C ATOM 2514 C SER B 63 14.983 25.565 3.743 1.00 1.73 C ATOM 2515 O SER B 63 14.808 25.264 4.922 1.00 2.39 O ATOM 2516 CB SER B 63 17.467 25.703 3.698 1.00 1.99 C ATOM 2517 OG SER B 63 18.640 25.633 2.901 1.00 2.68 O ATOM 0 H SER B 63 17.042 25.981 1.324 1.00 1.75 H new ATOM 0 HA SER B 63 16.201 23.982 3.117 1.00 1.67 H new ATOM 0 HB2 SER B 63 17.249 26.747 3.923 1.00 1.99 H new ATOM 0 HB3 SER B 63 17.651 25.204 4.649 1.00 1.99 H new ATOM 0 HG SER B 63 18.620 24.816 2.360 1.00 2.68 H new ATOM 2523 N ASP B 64 14.092 26.283 3.060 1.00 1.38 N ATOM 2524 CA ASP B 64 12.918 26.930 3.662 1.00 1.67 C ATOM 2525 C ASP B 64 11.643 26.681 2.841 1.00 1.77 C ATOM 2526 O ASP B 64 10.571 27.130 3.233 1.00 2.49 O ATOM 2527 CB ASP B 64 13.226 28.432 3.803 1.00 1.96 C ATOM 2528 CG ASP B 64 14.359 28.686 4.802 1.00 2.91 C ATOM 2529 OD1 ASP B 64 14.102 28.684 6.025 1.00 3.84 O ATOM 2530 OD2 ASP B 64 15.536 28.832 4.394 1.00 3.41 O ATOM 0 H ASP B 64 14.164 26.436 2.054 1.00 1.38 H new ATOM 0 HA ASP B 64 12.723 26.500 4.644 1.00 1.67 H new ATOM 0 HB2 ASP B 64 13.500 28.840 2.830 1.00 1.96 H new ATOM 0 HB3 ASP B 64 12.329 28.959 4.128 1.00 1.96 H new ATOM 2535 N GLN B 65 11.742 25.951 1.725 1.00 1.41 N ATOM 2536 CA GLN B 65 10.628 25.787 0.788 1.00 1.52 C ATOM 2537 C GLN B 65 9.678 24.661 1.192 1.00 1.21 C ATOM 2538 O GLN B 65 9.939 23.908 2.124 1.00 1.15 O ATOM 2539 CB GLN B 65 11.150 25.518 -0.624 1.00 1.69 C ATOM 2540 CG GLN B 65 11.956 26.666 -1.258 1.00 2.63 C ATOM 2541 CD GLN B 65 11.279 28.041 -1.269 1.00 4.71 C ATOM 2542 OE1 GLN B 65 11.950 29.056 -1.174 1.00 5.98 O ATOM 2543 NE2 GLN B 65 9.972 28.172 -1.382 1.00 5.64 N ATOM 0 H GLN B 65 12.592 25.460 1.448 1.00 1.41 H new ATOM 0 HA GLN B 65 10.068 26.722 0.810 1.00 1.52 H new ATOM 0 HB2 GLN B 65 11.777 24.627 -0.598 1.00 1.69 H new ATOM 0 HB3 GLN B 65 10.302 25.292 -1.270 1.00 1.69 H new ATOM 0 HG2 GLN B 65 12.903 26.754 -0.726 1.00 2.63 H new ATOM 0 HG3 GLN B 65 12.192 26.392 -2.286 1.00 2.63 H new ATOM 0 HE21 GLN B 65 9.382 27.344 -1.463 1.00 5.64 H new ATOM 0 HE22 GLN B 65 9.551 29.101 -1.388 1.00 5.64 H new ATOM 2552 N GLU B 66 8.564 24.546 0.478 1.00 1.19 N ATOM 2553 CA GLU B 66 7.451 23.695 0.828 1.00 1.18 C ATOM 2554 C GLU B 66 7.641 22.263 0.308 1.00 1.15 C ATOM 2555 O GLU B 66 8.008 22.031 -0.846 1.00 1.27 O ATOM 2556 CB GLU B 66 6.104 24.284 0.362 1.00 1.41 C ATOM 2557 CG GLU B 66 5.995 25.823 0.342 1.00 1.67 C ATOM 2558 CD GLU B 66 6.477 26.452 -0.974 1.00 3.07 C ATOM 2559 OE1 GLU B 66 7.714 26.538 -1.181 1.00 4.72 O ATOM 2560 OE2 GLU B 66 5.600 26.883 -1.750 1.00 3.30 O ATOM 0 H GLU B 66 8.414 25.063 -0.388 1.00 1.19 H new ATOM 0 HA GLU B 66 7.425 23.648 1.917 1.00 1.18 H new ATOM 0 HB2 GLU B 66 5.900 23.915 -0.643 1.00 1.41 H new ATOM 0 HB3 GLU B 66 5.319 23.895 1.010 1.00 1.41 H new ATOM 0 HG2 GLU B 66 4.957 26.109 0.514 1.00 1.67 H new ATOM 0 HG3 GLU B 66 6.579 26.232 1.167 1.00 1.67 H new ATOM 2567 N ILE B 67 7.370 21.286 1.172 1.00 1.14 N ATOM 2568 CA ILE B 67 7.346 19.856 0.820 1.00 1.12 C ATOM 2569 C ILE B 67 6.043 19.223 1.333 1.00 1.22 C ATOM 2570 O ILE B 67 5.397 19.760 2.241 1.00 1.32 O ATOM 2571 CB ILE B 67 8.639 19.162 1.332 1.00 1.14 C ATOM 2572 CG1 ILE B 67 9.902 19.862 0.753 1.00 1.86 C ATOM 2573 CG2 ILE B 67 8.652 17.666 0.960 1.00 1.49 C ATOM 2574 CD1 ILE B 67 11.241 19.275 1.210 1.00 2.25 C ATOM 0 H ILE B 67 7.157 21.462 2.154 1.00 1.14 H new ATOM 0 HA ILE B 67 7.346 19.721 -0.262 1.00 1.12 H new ATOM 0 HB ILE B 67 8.652 19.247 2.419 1.00 1.14 H new ATOM 0 HG12 ILE B 67 9.856 19.816 -0.335 1.00 1.86 H new ATOM 0 HG13 ILE B 67 9.872 20.916 1.029 1.00 1.86 H new ATOM 0 HG21 ILE B 67 9.568 17.207 1.331 1.00 1.49 H new ATOM 0 HG22 ILE B 67 7.791 17.172 1.409 1.00 1.49 H new ATOM 0 HG23 ILE B 67 8.606 17.560 -0.124 1.00 1.49 H new ATOM 0 HD11 ILE B 67 12.058 19.832 0.751 1.00 2.25 H new ATOM 0 HD12 ILE B 67 11.318 19.345 2.295 1.00 2.25 H new ATOM 0 HD13 ILE B 67 11.301 18.229 0.909 1.00 2.25 H new ATOM 2586 N ASP B 68 5.620 18.117 0.721 1.00 1.29 N ATOM 2587 CA ASP B 68 4.364 17.418 0.986 1.00 1.45 C ATOM 2588 C ASP B 68 4.540 15.997 1.575 1.00 1.25 C ATOM 2589 O ASP B 68 5.647 15.473 1.758 1.00 1.36 O ATOM 2590 CB ASP B 68 3.564 17.359 -0.329 1.00 1.69 C ATOM 2591 CG ASP B 68 4.042 16.210 -1.216 1.00 1.62 C ATOM 2592 OD1 ASP B 68 5.218 16.230 -1.637 1.00 2.61 O ATOM 2593 OD2 ASP B 68 3.258 15.250 -1.381 1.00 1.85 O ATOM 0 H ASP B 68 6.171 17.663 -0.008 1.00 1.29 H new ATOM 0 HA ASP B 68 3.832 17.979 1.754 1.00 1.45 H new ATOM 0 HB2 ASP B 68 2.504 17.234 -0.108 1.00 1.69 H new ATOM 0 HB3 ASP B 68 3.669 18.303 -0.864 1.00 1.69 H new ATOM 2598 N PHE B 69 3.402 15.344 1.819 1.00 1.11 N ATOM 2599 CA PHE B 69 3.270 14.014 2.413 1.00 1.02 C ATOM 2600 C PHE B 69 3.915 12.873 1.584 1.00 0.93 C ATOM 2601 O PHE B 69 4.283 11.836 2.142 1.00 0.83 O ATOM 2602 CB PHE B 69 1.769 13.779 2.659 1.00 1.28 C ATOM 2603 CG PHE B 69 1.434 12.584 3.531 1.00 1.39 C ATOM 2604 CD1 PHE B 69 1.272 11.318 2.950 1.00 2.62 C ATOM 2605 CD2 PHE B 69 1.266 12.735 4.921 1.00 2.52 C ATOM 2606 CE1 PHE B 69 0.968 10.198 3.748 1.00 3.87 C ATOM 2607 CE2 PHE B 69 0.957 11.623 5.723 1.00 3.28 C ATOM 2608 CZ PHE B 69 0.810 10.350 5.134 1.00 3.80 C ATOM 0 H PHE B 69 2.496 15.754 1.594 1.00 1.11 H new ATOM 0 HA PHE B 69 3.831 13.989 3.347 1.00 1.02 H new ATOM 0 HB2 PHE B 69 1.349 14.673 3.120 1.00 1.28 H new ATOM 0 HB3 PHE B 69 1.275 13.655 1.695 1.00 1.28 H new ATOM 0 HD1 PHE B 69 1.381 11.201 1.882 1.00 2.62 H new ATOM 0 HD2 PHE B 69 1.375 13.710 5.373 1.00 2.52 H new ATOM 0 HE1 PHE B 69 0.857 9.224 3.294 1.00 3.87 H new ATOM 0 HE2 PHE B 69 0.832 11.743 6.789 1.00 3.28 H new ATOM 0 HZ PHE B 69 0.576 9.493 5.749 1.00 3.80 H new ATOM 2618 N LYS B 70 4.097 13.028 0.265 1.00 1.03 N ATOM 2619 CA LYS B 70 4.686 12.009 -0.616 1.00 1.08 C ATOM 2620 C LYS B 70 6.182 11.857 -0.330 1.00 0.94 C ATOM 2621 O LYS B 70 6.691 10.759 -0.077 1.00 0.94 O ATOM 2622 CB LYS B 70 4.467 12.495 -2.056 1.00 1.31 C ATOM 2623 CG LYS B 70 5.117 11.667 -3.153 1.00 1.43 C ATOM 2624 CD LYS B 70 5.048 12.520 -4.424 1.00 2.26 C ATOM 2625 CE LYS B 70 5.685 11.754 -5.567 1.00 3.07 C ATOM 2626 NZ LYS B 70 7.164 11.847 -5.540 1.00 4.35 N ATOM 0 H LYS B 70 3.834 13.881 -0.229 1.00 1.03 H new ATOM 0 HA LYS B 70 4.222 11.036 -0.454 1.00 1.08 H new ATOM 0 HB2 LYS B 70 3.394 12.532 -2.245 1.00 1.31 H new ATOM 0 HB3 LYS B 70 4.839 13.517 -2.133 1.00 1.31 H new ATOM 0 HG2 LYS B 70 6.150 11.427 -2.900 1.00 1.43 H new ATOM 0 HG3 LYS B 70 4.594 10.721 -3.289 1.00 1.43 H new ATOM 0 HD2 LYS B 70 4.011 12.758 -4.662 1.00 2.26 H new ATOM 0 HD3 LYS B 70 5.566 13.467 -4.271 1.00 2.26 H new ATOM 0 HE2 LYS B 70 5.386 10.707 -5.513 1.00 3.07 H new ATOM 0 HE3 LYS B 70 5.314 12.143 -6.515 1.00 3.07 H new ATOM 0 HZ1 LYS B 70 7.560 11.324 -6.347 1.00 4.35 H new ATOM 0 HZ2 LYS B 70 7.450 12.845 -5.600 1.00 4.35 H new ATOM 0 HZ3 LYS B 70 7.521 11.437 -4.654 1.00 4.35 H new ATOM 2640 N GLU B 71 6.864 12.991 -0.366 1.00 0.87 N ATOM 2641 CA GLU B 71 8.315 13.085 -0.287 1.00 0.74 C ATOM 2642 C GLU B 71 8.782 12.946 1.176 1.00 0.72 C ATOM 2643 O GLU B 71 9.889 12.497 1.450 1.00 0.90 O ATOM 2644 CB GLU B 71 8.763 14.370 -0.998 1.00 0.96 C ATOM 2645 CG GLU B 71 8.087 14.578 -2.377 1.00 1.46 C ATOM 2646 CD GLU B 71 8.468 13.576 -3.476 1.00 3.14 C ATOM 2647 OE1 GLU B 71 8.529 12.351 -3.220 1.00 4.42 O ATOM 2648 OE2 GLU B 71 8.509 13.962 -4.665 1.00 4.11 O ATOM 0 H GLU B 71 6.410 13.900 -0.454 1.00 0.87 H new ATOM 0 HA GLU B 71 8.801 12.260 -0.809 1.00 0.74 H new ATOM 0 HB2 GLU B 71 8.541 15.226 -0.360 1.00 0.96 H new ATOM 0 HB3 GLU B 71 9.844 14.344 -1.132 1.00 0.96 H new ATOM 0 HG2 GLU B 71 7.007 14.540 -2.238 1.00 1.46 H new ATOM 0 HG3 GLU B 71 8.328 15.581 -2.729 1.00 1.46 H new ATOM 2655 N TYR B 72 7.874 13.211 2.121 1.00 0.69 N ATOM 2656 CA TYR B 72 7.899 12.722 3.507 1.00 0.61 C ATOM 2657 C TYR B 72 7.832 11.180 3.588 1.00 0.61 C ATOM 2658 O TYR B 72 8.734 10.546 4.144 1.00 0.64 O ATOM 2659 CB TYR B 72 6.712 13.399 4.214 1.00 0.60 C ATOM 2660 CG TYR B 72 6.232 12.817 5.532 1.00 0.59 C ATOM 2661 CD1 TYR B 72 7.092 12.772 6.643 1.00 2.11 C ATOM 2662 CD2 TYR B 72 4.894 12.388 5.667 1.00 2.04 C ATOM 2663 CE1 TYR B 72 6.609 12.348 7.897 1.00 2.10 C ATOM 2664 CE2 TYR B 72 4.407 11.963 6.918 1.00 2.11 C ATOM 2665 CZ TYR B 72 5.259 11.955 8.042 1.00 0.76 C ATOM 2666 OH TYR B 72 4.775 11.562 9.251 1.00 0.90 O ATOM 0 H TYR B 72 7.063 13.800 1.933 1.00 0.69 H new ATOM 0 HA TYR B 72 8.840 12.977 3.995 1.00 0.61 H new ATOM 0 HB2 TYR B 72 6.979 14.441 4.389 1.00 0.60 H new ATOM 0 HB3 TYR B 72 5.869 13.398 3.523 1.00 0.60 H new ATOM 0 HD1 TYR B 72 8.126 13.063 6.535 1.00 2.11 H new ATOM 0 HD2 TYR B 72 4.241 12.386 4.807 1.00 2.04 H new ATOM 0 HE1 TYR B 72 7.272 12.323 8.749 1.00 2.10 H new ATOM 0 HE2 TYR B 72 3.380 11.643 7.017 1.00 2.11 H new ATOM 0 HH TYR B 72 5.515 11.257 9.816 1.00 0.90 H new ATOM 2676 N SER B 73 6.810 10.557 2.998 1.00 0.68 N ATOM 2677 CA SER B 73 6.604 9.098 2.970 1.00 0.74 C ATOM 2678 C SER B 73 7.794 8.315 2.386 1.00 0.73 C ATOM 2679 O SER B 73 8.269 7.363 3.014 1.00 0.74 O ATOM 2680 CB SER B 73 5.318 8.798 2.201 1.00 0.91 C ATOM 2681 OG SER B 73 5.118 7.410 2.069 1.00 1.43 O ATOM 0 H SER B 73 6.075 11.067 2.508 1.00 0.68 H new ATOM 0 HA SER B 73 6.519 8.757 4.002 1.00 0.74 H new ATOM 0 HB2 SER B 73 4.469 9.243 2.719 1.00 0.91 H new ATOM 0 HB3 SER B 73 5.366 9.257 1.214 1.00 0.91 H new ATOM 0 HG SER B 73 4.159 7.223 1.994 1.00 1.43 H new ATOM 2687 N VAL B 74 8.339 8.731 1.234 1.00 0.74 N ATOM 2688 CA VAL B 74 9.514 8.058 0.649 1.00 0.78 C ATOM 2689 C VAL B 74 10.780 8.218 1.495 1.00 0.70 C ATOM 2690 O VAL B 74 11.641 7.348 1.432 1.00 0.80 O ATOM 2691 CB VAL B 74 9.840 8.486 -0.796 1.00 0.86 C ATOM 2692 CG1 VAL B 74 8.664 8.226 -1.735 1.00 1.01 C ATOM 2693 CG2 VAL B 74 10.360 9.922 -0.908 1.00 0.75 C ATOM 0 H VAL B 74 7.992 9.522 0.691 1.00 0.74 H new ATOM 0 HA VAL B 74 9.212 7.011 0.634 1.00 0.78 H new ATOM 0 HB VAL B 74 10.668 7.854 -1.117 1.00 0.86 H new ATOM 0 HG11 VAL B 74 8.929 8.539 -2.745 1.00 1.01 H new ATOM 0 HG12 VAL B 74 8.427 7.162 -1.736 1.00 1.01 H new ATOM 0 HG13 VAL B 74 7.796 8.791 -1.396 1.00 1.01 H new ATOM 0 HG21 VAL B 74 10.568 10.153 -1.953 1.00 0.75 H new ATOM 0 HG22 VAL B 74 9.608 10.612 -0.527 1.00 0.75 H new ATOM 0 HG23 VAL B 74 11.275 10.024 -0.325 1.00 0.75 H new ATOM 2703 N PHE B 75 10.911 9.310 2.261 1.00 0.61 N ATOM 2704 CA PHE B 75 12.067 9.585 3.113 1.00 0.59 C ATOM 2705 C PHE B 75 12.017 8.776 4.417 1.00 0.57 C ATOM 2706 O PHE B 75 13.017 8.145 4.755 1.00 0.60 O ATOM 2707 CB PHE B 75 12.156 11.092 3.356 1.00 0.62 C ATOM 2708 CG PHE B 75 13.490 11.596 3.863 1.00 0.69 C ATOM 2709 CD1 PHE B 75 13.738 11.719 5.244 1.00 1.52 C ATOM 2710 CD2 PHE B 75 14.448 12.061 2.944 1.00 2.41 C ATOM 2711 CE1 PHE B 75 14.896 12.378 5.696 1.00 1.46 C ATOM 2712 CE2 PHE B 75 15.583 12.745 3.396 1.00 2.53 C ATOM 2713 CZ PHE B 75 15.808 12.914 4.769 1.00 0.96 C ATOM 0 H PHE B 75 10.199 10.039 2.304 1.00 0.61 H new ATOM 0 HA PHE B 75 12.977 9.263 2.607 1.00 0.59 H new ATOM 0 HB2 PHE B 75 11.924 11.606 2.423 1.00 0.62 H new ATOM 0 HB3 PHE B 75 11.385 11.372 4.074 1.00 0.62 H new ATOM 0 HD1 PHE B 75 13.039 11.307 5.957 1.00 1.52 H new ATOM 0 HD2 PHE B 75 14.308 11.890 1.887 1.00 2.41 H new ATOM 0 HE1 PHE B 75 15.085 12.472 6.755 1.00 1.46 H new ATOM 0 HE2 PHE B 75 16.289 13.144 2.683 1.00 2.53 H new ATOM 0 HZ PHE B 75 16.678 13.453 5.114 1.00 0.96 H new ATOM 2723 N LEU B 76 10.853 8.699 5.086 1.00 0.57 N ATOM 2724 CA LEU B 76 10.646 7.782 6.212 1.00 0.57 C ATOM 2725 C LEU B 76 10.880 6.341 5.769 1.00 0.62 C ATOM 2726 O LEU B 76 11.651 5.625 6.409 1.00 0.67 O ATOM 2727 CB LEU B 76 9.222 7.907 6.783 1.00 0.56 C ATOM 2728 CG LEU B 76 8.868 9.213 7.520 1.00 0.62 C ATOM 2729 CD1 LEU B 76 7.490 9.006 8.168 1.00 1.08 C ATOM 2730 CD2 LEU B 76 9.899 9.604 8.588 1.00 1.11 C ATOM 0 H LEU B 76 10.037 9.268 4.861 1.00 0.57 H new ATOM 0 HA LEU B 76 11.360 8.052 6.990 1.00 0.57 H new ATOM 0 HB2 LEU B 76 8.517 7.782 5.961 1.00 0.56 H new ATOM 0 HB3 LEU B 76 9.060 7.077 7.471 1.00 0.56 H new ATOM 0 HG LEU B 76 8.863 10.032 6.801 1.00 0.62 H new ATOM 0 HD11 LEU B 76 7.200 9.911 8.703 1.00 1.08 H new ATOM 0 HD12 LEU B 76 6.753 8.789 7.395 1.00 1.08 H new ATOM 0 HD13 LEU B 76 7.538 8.171 8.867 1.00 1.08 H new ATOM 0 HD21 LEU B 76 9.590 10.532 9.069 1.00 1.11 H new ATOM 0 HD22 LEU B 76 9.967 8.813 9.335 1.00 1.11 H new ATOM 0 HD23 LEU B 76 10.873 9.745 8.119 1.00 1.11 H new ATOM 2742 N THR B 77 10.303 5.939 4.630 1.00 0.68 N ATOM 2743 CA THR B 77 10.510 4.601 4.074 1.00 0.72 C ATOM 2744 C THR B 77 11.984 4.352 3.765 1.00 0.77 C ATOM 2745 O THR B 77 12.512 3.298 4.102 1.00 0.84 O ATOM 2746 CB THR B 77 9.615 4.389 2.854 1.00 0.76 C ATOM 2747 OG1 THR B 77 8.274 4.477 3.274 1.00 0.75 O ATOM 2748 CG2 THR B 77 9.873 2.986 2.296 1.00 0.80 C ATOM 0 H THR B 77 9.684 6.529 4.073 1.00 0.68 H new ATOM 0 HA THR B 77 10.223 3.863 4.823 1.00 0.72 H new ATOM 0 HB THR B 77 9.822 5.136 2.088 1.00 0.76 H new ATOM 0 HG1 THR B 77 7.999 5.417 3.295 1.00 0.75 H new ATOM 0 HG21 THR B 77 9.241 2.819 1.424 1.00 0.80 H new ATOM 0 HG22 THR B 77 10.920 2.896 2.008 1.00 0.80 H new ATOM 0 HG23 THR B 77 9.642 2.243 3.059 1.00 0.80 H new ATOM 2756 N MET B 78 12.677 5.330 3.181 1.00 0.75 N ATOM 2757 CA MET B 78 14.110 5.238 2.873 1.00 0.78 C ATOM 2758 C MET B 78 14.980 5.085 4.126 1.00 0.76 C ATOM 2759 O MET B 78 15.914 4.284 4.104 1.00 0.87 O ATOM 2760 CB MET B 78 14.481 6.452 2.017 1.00 0.76 C ATOM 2761 CG MET B 78 15.938 6.526 1.574 1.00 0.93 C ATOM 2762 SD MET B 78 16.171 7.529 0.077 1.00 1.22 S ATOM 2763 CE MET B 78 15.467 9.113 0.623 1.00 1.15 C ATOM 0 H MET B 78 12.258 6.218 2.905 1.00 0.75 H new ATOM 0 HA MET B 78 14.310 4.327 2.309 1.00 0.78 H new ATOM 0 HB2 MET B 78 13.849 6.454 1.129 1.00 0.76 H new ATOM 0 HB3 MET B 78 14.244 7.356 2.579 1.00 0.76 H new ATOM 0 HG2 MET B 78 16.538 6.944 2.383 1.00 0.93 H new ATOM 0 HG3 MET B 78 16.309 5.517 1.391 1.00 0.93 H new ATOM 0 HE1 MET B 78 15.919 9.927 0.056 1.00 1.15 H new ATOM 0 HE2 MET B 78 14.390 9.109 0.457 1.00 1.15 H new ATOM 0 HE3 MET B 78 15.670 9.255 1.685 1.00 1.15 H new ATOM 2773 N LEU B 79 14.667 5.779 5.226 1.00 0.68 N ATOM 2774 CA LEU B 79 15.361 5.567 6.501 1.00 0.74 C ATOM 2775 C LEU B 79 14.972 4.244 7.175 1.00 0.81 C ATOM 2776 O LEU B 79 15.845 3.598 7.737 1.00 0.90 O ATOM 2777 CB LEU B 79 15.172 6.764 7.457 1.00 0.78 C ATOM 2778 CG LEU B 79 16.493 7.292 8.066 1.00 1.23 C ATOM 2779 CD1 LEU B 79 17.396 6.221 8.694 1.00 1.64 C ATOM 2780 CD2 LEU B 79 17.275 8.087 7.008 1.00 2.73 C ATOM 0 H LEU B 79 13.938 6.492 5.259 1.00 0.68 H new ATOM 0 HA LEU B 79 16.422 5.494 6.264 1.00 0.74 H new ATOM 0 HB2 LEU B 79 14.682 7.574 6.917 1.00 0.78 H new ATOM 0 HB3 LEU B 79 14.503 6.469 8.265 1.00 0.78 H new ATOM 0 HG LEU B 79 16.193 7.934 8.894 1.00 1.23 H new ATOM 0 HD11 LEU B 79 18.295 6.691 9.092 1.00 1.64 H new ATOM 0 HD12 LEU B 79 16.860 5.721 9.501 1.00 1.64 H new ATOM 0 HD13 LEU B 79 17.675 5.489 7.935 1.00 1.64 H new ATOM 0 HD21 LEU B 79 18.204 8.456 7.443 1.00 2.73 H new ATOM 0 HD22 LEU B 79 17.503 7.439 6.161 1.00 2.73 H new ATOM 0 HD23 LEU B 79 16.673 8.930 6.668 1.00 2.73 H new ATOM 2792 N CYS B 80 13.712 3.807 7.092 1.00 0.82 N ATOM 2793 CA CYS B 80 13.273 2.517 7.638 1.00 0.93 C ATOM 2794 C CYS B 80 13.814 1.312 6.846 1.00 1.20 C ATOM 2795 O CYS B 80 13.953 0.226 7.409 1.00 1.66 O ATOM 2796 CB CYS B 80 11.743 2.516 7.734 1.00 0.91 C ATOM 2797 SG CYS B 80 11.257 1.181 8.859 1.00 1.06 S ATOM 0 H CYS B 80 12.965 4.338 6.644 1.00 0.82 H new ATOM 0 HA CYS B 80 13.695 2.401 8.636 1.00 0.93 H new ATOM 0 HB2 CYS B 80 11.383 3.476 8.103 1.00 0.91 H new ATOM 0 HB3 CYS B 80 11.299 2.366 6.750 1.00 0.91 H new ATOM 0 HG CYS B 80 12.128 0.218 8.792 1.00 1.06 H new ATOM 2803 N MET B 81 14.145 1.506 5.565 1.00 1.07 N ATOM 2804 CA MET B 81 14.917 0.566 4.748 1.00 1.19 C ATOM 2805 C MET B 81 16.380 0.512 5.209 1.00 1.16 C ATOM 2806 O MET B 81 16.938 -0.569 5.345 1.00 1.37 O ATOM 2807 CB MET B 81 14.816 0.973 3.270 1.00 1.21 C ATOM 2808 CG MET B 81 15.369 -0.113 2.339 1.00 1.74 C ATOM 2809 SD MET B 81 14.354 -1.608 2.248 1.00 2.88 S ATOM 2810 CE MET B 81 13.345 -1.194 0.811 1.00 3.74 C ATOM 0 H MET B 81 13.875 2.346 5.054 1.00 1.07 H new ATOM 0 HA MET B 81 14.503 -0.435 4.868 1.00 1.19 H new ATOM 0 HB2 MET B 81 13.774 1.171 3.018 1.00 1.21 H new ATOM 0 HB3 MET B 81 15.364 1.901 3.111 1.00 1.21 H new ATOM 0 HG2 MET B 81 15.472 0.303 1.337 1.00 1.74 H new ATOM 0 HG3 MET B 81 16.369 -0.387 2.675 1.00 1.74 H new ATOM 0 HE1 MET B 81 12.583 -1.960 0.669 1.00 3.74 H new ATOM 0 HE2 MET B 81 12.864 -0.229 0.970 1.00 3.74 H new ATOM 0 HE3 MET B 81 13.978 -1.143 -0.075 1.00 3.74 H new ATOM 2820 N ALA B 82 16.987 1.660 5.525 1.00 1.09 N ATOM 2821 CA ALA B 82 18.403 1.801 5.904 1.00 1.18 C ATOM 2822 C ALA B 82 18.790 1.196 7.280 1.00 1.18 C ATOM 2823 O ALA B 82 19.827 1.548 7.846 1.00 1.27 O ATOM 2824 CB ALA B 82 18.781 3.285 5.783 1.00 1.24 C ATOM 0 H ALA B 82 16.491 2.551 5.525 1.00 1.09 H new ATOM 0 HA ALA B 82 18.989 1.197 5.212 1.00 1.18 H new ATOM 0 HB1 ALA B 82 19.827 3.418 6.059 1.00 1.24 H new ATOM 0 HB2 ALA B 82 18.632 3.616 4.755 1.00 1.24 H new ATOM 0 HB3 ALA B 82 18.153 3.876 6.449 1.00 1.24 H new ATOM 2830 N TYR B 83 17.971 0.280 7.810 1.00 1.36 N ATOM 2831 CA TYR B 83 18.256 -0.556 8.982 1.00 1.53 C ATOM 2832 C TYR B 83 17.405 -1.846 9.103 1.00 1.72 C ATOM 2833 O TYR B 83 17.488 -2.523 10.131 1.00 2.05 O ATOM 2834 CB TYR B 83 18.220 0.306 10.257 1.00 1.66 C ATOM 2835 CG TYR B 83 16.931 1.046 10.575 1.00 1.71 C ATOM 2836 CD1 TYR B 83 15.842 0.354 11.142 1.00 3.02 C ATOM 2837 CD2 TYR B 83 16.856 2.449 10.422 1.00 2.00 C ATOM 2838 CE1 TYR B 83 14.676 1.046 11.525 1.00 3.10 C ATOM 2839 CE2 TYR B 83 15.711 3.146 10.836 1.00 2.03 C ATOM 2840 CZ TYR B 83 14.604 2.448 11.367 1.00 1.87 C ATOM 2841 OH TYR B 83 13.477 3.118 11.732 1.00 2.00 O ATOM 0 H TYR B 83 17.049 0.093 7.415 1.00 1.36 H new ATOM 0 HA TYR B 83 19.264 -0.947 8.840 1.00 1.53 H new ATOM 0 HB2 TYR B 83 18.454 -0.339 11.104 1.00 1.66 H new ATOM 0 HB3 TYR B 83 19.020 1.042 10.186 1.00 1.66 H new ATOM 0 HD1 TYR B 83 15.902 -0.715 11.284 1.00 3.02 H new ATOM 0 HD2 TYR B 83 17.684 2.987 9.984 1.00 2.00 H new ATOM 0 HE1 TYR B 83 13.838 0.505 11.939 1.00 3.10 H new ATOM 0 HE2 TYR B 83 15.676 4.222 10.748 1.00 2.03 H new ATOM 0 HH TYR B 83 13.595 4.075 11.558 1.00 2.00 H new ATOM 2851 N ASN B 84 16.611 -2.217 8.087 1.00 1.78 N ATOM 2852 CA ASN B 84 15.749 -3.413 8.122 1.00 2.03 C ATOM 2853 C ASN B 84 16.422 -4.738 7.740 1.00 1.99 C ATOM 2854 O ASN B 84 15.766 -5.782 7.785 1.00 2.27 O ATOM 2855 CB ASN B 84 14.446 -3.175 7.354 1.00 2.27 C ATOM 2856 CG ASN B 84 14.615 -3.062 5.854 1.00 4.19 C ATOM 2857 OD1 ASN B 84 15.686 -3.200 5.295 1.00 5.59 O ATOM 2858 ND2 ASN B 84 13.530 -2.821 5.147 1.00 4.85 N ATOM 0 H ASN B 84 16.547 -1.695 7.213 1.00 1.78 H new ATOM 0 HA ASN B 84 15.514 -3.553 9.177 1.00 2.03 H new ATOM 0 HB2 ASN B 84 13.757 -3.992 7.569 1.00 2.27 H new ATOM 0 HB3 ASN B 84 13.982 -2.261 7.725 1.00 2.27 H new ATOM 0 HD21 ASN B 84 13.589 -2.750 4.131 1.00 4.85 H new ATOM 0 HD22 ASN B 84 12.631 -2.705 5.615 1.00 4.85 H new ATOM 2865 N ASP B 85 17.743 -4.739 7.548 1.00 2.38 N ATOM 2866 CA ASP B 85 18.539 -5.962 7.657 1.00 2.31 C ATOM 2867 C ASP B 85 18.381 -6.657 9.024 1.00 2.05 C ATOM 2868 O ASP B 85 18.526 -7.875 9.121 1.00 2.20 O ATOM 2869 CB ASP B 85 20.022 -5.678 7.380 1.00 3.30 C ATOM 2870 CG ASP B 85 20.316 -5.473 5.893 1.00 5.23 C ATOM 2871 OD1 ASP B 85 20.169 -6.466 5.142 1.00 6.53 O ATOM 2872 OD2 ASP B 85 20.695 -4.335 5.541 1.00 5.91 O ATOM 0 H ASP B 85 18.284 -3.906 7.316 1.00 2.38 H new ATOM 0 HA ASP B 85 18.156 -6.646 6.899 1.00 2.31 H new ATOM 0 HB2 ASP B 85 20.327 -4.789 7.932 1.00 3.30 H new ATOM 0 HB3 ASP B 85 20.623 -6.507 7.754 1.00 3.30 H new ATOM 2877 N PHE B 86 17.987 -5.905 10.062 1.00 2.32 N ATOM 2878 CA PHE B 86 17.620 -6.421 11.384 1.00 2.92 C ATOM 2879 C PHE B 86 16.426 -7.402 11.354 1.00 2.85 C ATOM 2880 O PHE B 86 16.253 -8.189 12.283 1.00 3.63 O ATOM 2881 CB PHE B 86 17.342 -5.202 12.280 1.00 3.58 C ATOM 2882 CG PHE B 86 17.210 -5.506 13.760 1.00 3.71 C ATOM 2883 CD1 PHE B 86 18.346 -5.891 14.500 1.00 4.72 C ATOM 2884 CD2 PHE B 86 15.963 -5.387 14.404 1.00 3.92 C ATOM 2885 CE1 PHE B 86 18.235 -6.158 15.876 1.00 5.29 C ATOM 2886 CE2 PHE B 86 15.856 -5.651 15.782 1.00 4.79 C ATOM 2887 CZ PHE B 86 16.990 -6.036 16.518 1.00 5.21 C ATOM 0 H PHE B 86 17.913 -4.890 10.000 1.00 2.32 H new ATOM 0 HA PHE B 86 18.442 -7.017 11.780 1.00 2.92 H new ATOM 0 HB2 PHE B 86 18.147 -4.480 12.144 1.00 3.58 H new ATOM 0 HB3 PHE B 86 16.424 -4.723 11.940 1.00 3.58 H new ATOM 0 HD1 PHE B 86 19.304 -5.981 14.009 1.00 4.72 H new ATOM 0 HD2 PHE B 86 15.090 -5.093 13.841 1.00 3.92 H new ATOM 0 HE1 PHE B 86 19.106 -6.457 16.440 1.00 5.29 H new ATOM 0 HE2 PHE B 86 14.900 -5.558 16.276 1.00 4.79 H new ATOM 0 HZ PHE B 86 16.905 -6.238 17.576 1.00 5.21 H new ATOM 2897 N PHE B 87 15.623 -7.386 10.280 1.00 2.28 N ATOM 2898 CA PHE B 87 14.523 -8.327 10.028 1.00 2.79 C ATOM 2899 C PHE B 87 14.864 -9.372 8.944 1.00 2.82 C ATOM 2900 O PHE B 87 14.012 -10.187 8.591 1.00 3.57 O ATOM 2901 CB PHE B 87 13.268 -7.536 9.622 1.00 2.90 C ATOM 2902 CG PHE B 87 12.873 -6.396 10.547 1.00 3.31 C ATOM 2903 CD1 PHE B 87 12.832 -6.562 11.946 1.00 4.67 C ATOM 2904 CD2 PHE B 87 12.537 -5.146 9.992 1.00 3.36 C ATOM 2905 CE1 PHE B 87 12.482 -5.482 12.776 1.00 5.38 C ATOM 2906 CE2 PHE B 87 12.210 -4.061 10.822 1.00 4.13 C ATOM 2907 CZ PHE B 87 12.182 -4.226 12.218 1.00 4.89 C ATOM 0 H PHE B 87 15.725 -6.694 9.538 1.00 2.28 H new ATOM 0 HA PHE B 87 14.345 -8.881 10.950 1.00 2.79 H new ATOM 0 HB2 PHE B 87 13.426 -7.129 8.623 1.00 2.90 H new ATOM 0 HB3 PHE B 87 12.431 -8.230 9.555 1.00 2.90 H new ATOM 0 HD1 PHE B 87 13.070 -7.521 12.382 1.00 4.67 H new ATOM 0 HD2 PHE B 87 12.531 -5.021 8.919 1.00 3.36 H new ATOM 0 HE1 PHE B 87 12.443 -5.618 13.847 1.00 5.38 H new ATOM 0 HE2 PHE B 87 11.980 -3.099 10.388 1.00 4.13 H new ATOM 0 HZ PHE B 87 11.932 -3.393 12.858 1.00 4.89 H new ATOM 2917 N LEU B 88 16.085 -9.342 8.392 1.00 2.25 N ATOM 2918 CA LEU B 88 16.582 -10.268 7.386 1.00 2.47 C ATOM 2919 C LEU B 88 17.092 -11.554 8.049 1.00 3.12 C ATOM 2920 O LEU B 88 16.319 -12.261 8.687 1.00 3.55 O ATOM 2921 CB LEU B 88 17.565 -9.492 6.476 1.00 1.93 C ATOM 2922 CG LEU B 88 17.533 -9.965 5.018 1.00 2.57 C ATOM 2923 CD1 LEU B 88 18.295 -9.001 4.108 1.00 2.68 C ATOM 2924 CD2 LEU B 88 18.047 -11.393 4.785 1.00 3.56 C ATOM 0 H LEU B 88 16.777 -8.638 8.651 1.00 2.25 H new ATOM 0 HA LEU B 88 15.804 -10.640 6.720 1.00 2.47 H new ATOM 0 HB2 LEU B 88 17.324 -8.430 6.513 1.00 1.93 H new ATOM 0 HB3 LEU B 88 18.577 -9.603 6.866 1.00 1.93 H new ATOM 0 HG LEU B 88 16.473 -9.976 4.765 1.00 2.57 H new ATOM 0 HD11 LEU B 88 18.255 -9.362 3.080 1.00 2.68 H new ATOM 0 HD12 LEU B 88 17.840 -8.012 4.163 1.00 2.68 H new ATOM 0 HD13 LEU B 88 19.334 -8.940 4.431 1.00 2.68 H new ATOM 0 HD21 LEU B 88 17.984 -11.634 3.724 1.00 3.56 H new ATOM 0 HD22 LEU B 88 19.084 -11.464 5.112 1.00 3.56 H new ATOM 0 HD23 LEU B 88 17.438 -12.096 5.353 1.00 3.56 H new ATOM 2936 N GLU B 89 18.373 -11.856 7.858 1.00 3.43 N ATOM 2937 CA GLU B 89 19.087 -13.045 8.352 1.00 4.19 C ATOM 2938 C GLU B 89 20.619 -12.911 8.313 1.00 3.86 C ATOM 2939 O GLU B 89 21.329 -13.864 8.642 1.00 4.28 O ATOM 2940 CB GLU B 89 18.605 -14.298 7.594 1.00 4.98 C ATOM 2941 CG GLU B 89 17.810 -15.210 8.538 1.00 6.19 C ATOM 2942 CD GLU B 89 16.725 -15.993 7.812 1.00 6.87 C ATOM 2943 OE1 GLU B 89 15.919 -15.328 7.120 1.00 6.83 O ATOM 2944 OE2 GLU B 89 16.635 -17.214 8.029 1.00 7.89 O ATOM 0 H GLU B 89 18.985 -11.242 7.321 1.00 3.43 H new ATOM 0 HA GLU B 89 18.841 -13.147 9.409 1.00 4.19 H new ATOM 0 HB2 GLU B 89 17.982 -14.005 6.749 1.00 4.98 H new ATOM 0 HB3 GLU B 89 19.460 -14.838 7.188 1.00 4.98 H new ATOM 0 HG2 GLU B 89 18.492 -15.906 9.026 1.00 6.19 H new ATOM 0 HG3 GLU B 89 17.355 -14.607 9.324 1.00 6.19 H new ATOM 2951 N ASP B 90 21.137 -11.725 7.966 1.00 3.49 N ATOM 2952 CA ASP B 90 22.553 -11.360 8.204 1.00 3.86 C ATOM 2953 C ASP B 90 23.530 -12.223 7.366 1.00 4.33 C ATOM 2954 O ASP B 90 24.554 -12.713 7.832 1.00 5.71 O ATOM 2955 CB ASP B 90 22.771 -11.272 9.738 1.00 5.53 C ATOM 2956 CG ASP B 90 24.218 -11.199 10.244 1.00 6.58 C ATOM 2957 OD1 ASP B 90 24.910 -10.209 9.939 1.00 6.81 O ATOM 2958 OD2 ASP B 90 24.580 -12.151 10.980 1.00 7.66 O ATOM 0 H ASP B 90 20.594 -10.989 7.514 1.00 3.49 H new ATOM 0 HA ASP B 90 22.798 -10.369 7.823 1.00 3.86 H new ATOM 0 HB2 ASP B 90 22.242 -10.392 10.103 1.00 5.53 H new ATOM 0 HB3 ASP B 90 22.298 -12.141 10.196 1.00 5.53 H new ATOM 2963 N ASN B 91 23.167 -12.451 6.099 1.00 4.05 N ATOM 2964 CA ASN B 91 24.017 -13.049 5.052 1.00 4.98 C ATOM 2965 C ASN B 91 24.661 -14.398 5.445 1.00 6.65 C ATOM 2966 O ASN B 91 25.882 -14.553 5.437 1.00 7.49 O ATOM 2967 CB ASN B 91 25.050 -12.020 4.552 1.00 5.27 C ATOM 2968 CG ASN B 91 24.431 -10.741 3.992 1.00 5.37 C ATOM 2969 OD1 ASN B 91 24.906 -9.647 4.240 1.00 6.29 O ATOM 2970 ND2 ASN B 91 23.367 -10.825 3.214 1.00 5.46 N ATOM 0 H ASN B 91 22.235 -12.216 5.756 1.00 4.05 H new ATOM 0 HA ASN B 91 23.356 -13.308 4.225 1.00 4.98 H new ATOM 0 HB2 ASN B 91 25.716 -11.759 5.375 1.00 5.27 H new ATOM 0 HB3 ASN B 91 25.664 -12.483 3.780 1.00 5.27 H new ATOM 0 HD21 ASN B 91 22.950 -9.978 2.827 1.00 5.46 H new ATOM 0 HD22 ASN B 91 22.962 -11.736 3.001 1.00 5.46 H new ATOM 2977 N LYS B 92 23.816 -15.370 5.804 1.00 7.66 N ATOM 2978 CA LYS B 92 24.183 -16.801 5.820 1.00 9.80 C ATOM 2979 C LYS B 92 24.179 -17.410 4.411 1.00 10.68 C ATOM 2980 O LYS B 92 23.529 -16.810 3.525 1.00 10.24 O ATOM 2981 CB LYS B 92 23.268 -17.587 6.778 1.00 11.11 C ATOM 2982 CG LYS B 92 23.099 -16.952 8.172 1.00 11.18 C ATOM 2983 CD LYS B 92 24.434 -16.670 8.886 1.00 11.16 C ATOM 2984 CE LYS B 92 24.249 -15.812 10.145 1.00 11.72 C ATOM 2985 NZ LYS B 92 23.820 -14.443 9.796 1.00 10.65 N ATOM 2986 OXT LYS B 92 24.836 -18.462 4.266 1.00 12.17 O ATOM 0 H LYS B 92 22.854 -15.192 6.093 1.00 7.66 H new ATOM 0 HA LYS B 92 25.205 -16.875 6.191 1.00 9.80 H new ATOM 0 HB2 LYS B 92 22.285 -17.689 6.318 1.00 11.11 H new ATOM 0 HB3 LYS B 92 23.669 -18.593 6.898 1.00 11.11 H new ATOM 0 HG2 LYS B 92 22.545 -16.018 8.072 1.00 11.18 H new ATOM 0 HG3 LYS B 92 22.497 -17.615 8.794 1.00 11.18 H new ATOM 0 HD2 LYS B 92 24.905 -17.615 9.158 1.00 11.16 H new ATOM 0 HD3 LYS B 92 25.111 -16.163 8.199 1.00 11.16 H new ATOM 0 HE2 LYS B 92 23.508 -16.273 10.798 1.00 11.72 H new ATOM 0 HE3 LYS B 92 25.185 -15.772 10.703 1.00 11.72 H new ATOM 0 HZ1 LYS B 92 24.009 -13.806 10.596 1.00 10.65 H new ATOM 0 HZ2 LYS B 92 24.347 -14.116 8.961 1.00 10.65 H new ATOM 0 HZ3 LYS B 92 22.802 -14.442 9.585 1.00 10.65 H new TER 3000 LYS B 92