USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 563 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 Single : A 1 MET CE :methyl 172:sc=-0.00928 (180deg=-0.0964) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.19) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -96:sc= -0.648 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= 0.763 (180deg=0.445) USER MOD Single : A 29 LYS NZ :NH3+ 156:sc= -7e-05 (180deg=-0.201) USER MOD Single : A 32 SER OG : rot -10:sc= 0.53 USER MOD Single : A 34 GLN : amide:sc= -0.404 K(o=-0.4,f=-1.7) USER MOD Single : A 37 THR OG1 : rot -150:sc= -1.64 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -65:sc= 0.134 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 56 SER OG : rot -31:sc= 0.0158 USER MOD Single : A 60 TYR OH : rot -61:sc= -1.32! USER MOD Single : A 63 HIS :FLIP no HE2:sc= -0.0884 F(o=-0.6,f=-0.088) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.319 F(o=-1.4,f=-0.32) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.500 6.221 6.138 1.00 0.77 N ATOM 2 CA MET A 1 9.534 5.133 5.804 1.00 0.60 C ATOM 3 C MET A 1 8.145 5.486 6.353 1.00 0.55 C ATOM 4 O MET A 1 8.009 5.939 7.478 1.00 0.68 O ATOM 5 CB MET A 1 10.013 3.817 6.426 1.00 0.73 C ATOM 6 CG MET A 1 9.629 2.652 5.512 1.00 0.92 C ATOM 7 SD MET A 1 10.685 1.227 5.874 1.00 0.92 S ATOM 8 CE MET A 1 10.759 0.575 4.188 1.00 1.12 C ATOM 0 H1 MET A 1 11.440 5.978 5.764 1.00 0.77 H new ATOM 0 H2 MET A 1 10.178 7.114 5.712 1.00 0.77 H new ATOM 0 H3 MET A 1 10.556 6.331 7.171 1.00 0.77 H new ATOM 0 HA MET A 1 9.474 5.023 4.721 1.00 0.60 H new ATOM 0 HB2 MET A 1 11.093 3.841 6.568 1.00 0.73 H new ATOM 0 HB3 MET A 1 9.565 3.684 7.411 1.00 0.73 H new ATOM 0 HG2 MET A 1 8.582 2.389 5.661 1.00 0.92 H new ATOM 0 HG3 MET A 1 9.739 2.944 4.468 1.00 0.92 H new ATOM 0 HE1 MET A 1 11.483 -0.239 4.144 1.00 1.12 H new ATOM 0 HE2 MET A 1 9.776 0.203 3.898 1.00 1.12 H new ATOM 0 HE3 MET A 1 11.062 1.368 3.504 1.00 1.12 H new ATOM 18 N ILE A 2 7.116 5.279 5.565 1.00 0.42 N ATOM 19 CA ILE A 2 5.728 5.597 6.027 1.00 0.40 C ATOM 20 C ILE A 2 4.874 4.323 6.045 1.00 0.40 C ATOM 21 O ILE A 2 5.200 3.336 5.412 1.00 0.43 O ATOM 22 CB ILE A 2 5.086 6.631 5.087 1.00 0.37 C ATOM 23 CG1 ILE A 2 5.060 6.091 3.651 1.00 0.36 C ATOM 24 CG2 ILE A 2 5.896 7.930 5.123 1.00 0.43 C ATOM 25 CD1 ILE A 2 3.915 6.747 2.876 1.00 0.48 C ATOM 0 H ILE A 2 7.179 4.902 4.619 1.00 0.42 H new ATOM 0 HA ILE A 2 5.780 6.008 7.035 1.00 0.40 H new ATOM 0 HB ILE A 2 4.065 6.824 5.418 1.00 0.37 H new ATOM 0 HG12 ILE A 2 6.010 6.295 3.158 1.00 0.36 H new ATOM 0 HG13 ILE A 2 4.932 5.009 3.661 1.00 0.36 H new ATOM 0 HG21 ILE A 2 5.440 8.662 4.456 1.00 0.43 H new ATOM 0 HG22 ILE A 2 5.908 8.323 6.140 1.00 0.43 H new ATOM 0 HG23 ILE A 2 6.917 7.731 4.799 1.00 0.43 H new ATOM 0 HD11 ILE A 2 3.898 6.362 1.856 1.00 0.48 H new ATOM 0 HD12 ILE A 2 2.968 6.520 3.365 1.00 0.48 H new ATOM 0 HD13 ILE A 2 4.062 7.827 2.854 1.00 0.48 H new ATOM 37 N GLU A 3 3.776 4.351 6.762 1.00 0.43 N ATOM 38 CA GLU A 3 2.878 3.155 6.831 1.00 0.47 C ATOM 39 C GLU A 3 1.551 3.480 6.136 1.00 0.45 C ATOM 40 O GLU A 3 0.952 4.511 6.378 1.00 0.60 O ATOM 41 CB GLU A 3 2.619 2.770 8.296 1.00 0.57 C ATOM 42 CG GLU A 3 2.215 4.006 9.112 1.00 0.69 C ATOM 43 CD GLU A 3 3.326 4.357 10.108 1.00 0.85 C ATOM 44 OE1 GLU A 3 4.286 4.989 9.699 1.00 0.84 O ATOM 45 OE2 GLU A 3 3.197 3.988 11.264 1.00 1.19 O ATOM 0 H GLU A 3 3.462 5.155 7.305 1.00 0.43 H new ATOM 0 HA GLU A 3 3.358 2.315 6.329 1.00 0.47 H new ATOM 0 HB2 GLU A 3 1.830 2.019 8.347 1.00 0.57 H new ATOM 0 HB3 GLU A 3 3.515 2.321 8.724 1.00 0.57 H new ATOM 0 HG2 GLU A 3 2.032 4.849 8.446 1.00 0.69 H new ATOM 0 HG3 GLU A 3 1.284 3.813 9.645 1.00 0.69 H new ATOM 52 N VAL A 4 1.095 2.612 5.265 1.00 0.40 N ATOM 53 CA VAL A 4 -0.188 2.871 4.536 1.00 0.39 C ATOM 54 C VAL A 4 -1.110 1.647 4.633 1.00 0.39 C ATOM 55 O VAL A 4 -0.664 0.535 4.866 1.00 0.50 O ATOM 56 CB VAL A 4 0.112 3.180 3.063 1.00 0.42 C ATOM 57 CG1 VAL A 4 0.990 4.430 2.970 1.00 0.51 C ATOM 58 CG2 VAL A 4 0.847 2.000 2.420 1.00 0.51 C ATOM 0 H VAL A 4 1.556 1.734 5.027 1.00 0.40 H new ATOM 0 HA VAL A 4 -0.689 3.725 4.992 1.00 0.39 H new ATOM 0 HB VAL A 4 -0.828 3.350 2.538 1.00 0.42 H new ATOM 0 HG11 VAL A 4 1.202 4.648 1.923 1.00 0.51 H new ATOM 0 HG12 VAL A 4 0.468 5.275 3.418 1.00 0.51 H new ATOM 0 HG13 VAL A 4 1.926 4.258 3.502 1.00 0.51 H new ATOM 0 HG21 VAL A 4 1.056 2.228 1.375 1.00 0.51 H new ATOM 0 HG22 VAL A 4 1.784 1.824 2.948 1.00 0.51 H new ATOM 0 HG23 VAL A 4 0.224 1.107 2.479 1.00 0.51 H new ATOM 68 N VAL A 5 -2.393 1.850 4.448 1.00 0.37 N ATOM 69 CA VAL A 5 -3.363 0.711 4.520 1.00 0.42 C ATOM 70 C VAL A 5 -4.006 0.499 3.144 1.00 0.44 C ATOM 71 O VAL A 5 -4.370 1.444 2.468 1.00 0.64 O ATOM 72 CB VAL A 5 -4.453 1.014 5.561 1.00 0.47 C ATOM 73 CG1 VAL A 5 -3.838 1.013 6.962 1.00 0.58 C ATOM 74 CG2 VAL A 5 -5.084 2.386 5.283 1.00 0.59 C ATOM 0 H VAL A 5 -2.811 2.759 4.250 1.00 0.37 H new ATOM 0 HA VAL A 5 -2.832 -0.194 4.816 1.00 0.42 H new ATOM 0 HB VAL A 5 -5.225 0.247 5.498 1.00 0.47 H new ATOM 0 HG11 VAL A 5 -4.612 1.228 7.699 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -3.403 0.035 7.168 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -3.061 1.775 7.019 1.00 0.58 H new ATOM 0 HG21 VAL A 5 -5.854 2.590 6.027 1.00 0.59 H new ATOM 0 HG22 VAL A 5 -4.316 3.157 5.336 1.00 0.59 H new ATOM 0 HG23 VAL A 5 -5.530 2.386 4.289 1.00 0.59 H new ATOM 84 N VAL A 6 -4.146 -0.738 2.725 1.00 0.34 N ATOM 85 CA VAL A 6 -4.764 -1.020 1.391 1.00 0.37 C ATOM 86 C VAL A 6 -5.997 -1.917 1.569 1.00 0.37 C ATOM 87 O VAL A 6 -5.909 -3.010 2.099 1.00 0.52 O ATOM 88 CB VAL A 6 -3.743 -1.709 0.469 1.00 0.44 C ATOM 89 CG1 VAL A 6 -2.590 -0.746 0.169 1.00 0.43 C ATOM 90 CG2 VAL A 6 -3.189 -2.972 1.140 1.00 0.57 C ATOM 0 H VAL A 6 -3.858 -1.564 3.250 1.00 0.34 H new ATOM 0 HA VAL A 6 -5.069 -0.078 0.936 1.00 0.37 H new ATOM 0 HB VAL A 6 -4.240 -1.988 -0.460 1.00 0.44 H new ATOM 0 HG11 VAL A 6 -1.868 -1.236 -0.484 1.00 0.43 H new ATOM 0 HG12 VAL A 6 -2.979 0.145 -0.324 1.00 0.43 H new ATOM 0 HG13 VAL A 6 -2.102 -0.461 1.101 1.00 0.43 H new ATOM 0 HG21 VAL A 6 -2.468 -3.450 0.477 1.00 0.57 H new ATOM 0 HG22 VAL A 6 -2.699 -2.702 2.075 1.00 0.57 H new ATOM 0 HG23 VAL A 6 -4.006 -3.663 1.345 1.00 0.57 H new ATOM 100 N ASN A 7 -7.144 -1.455 1.127 1.00 0.38 N ATOM 101 CA ASN A 7 -8.397 -2.265 1.262 1.00 0.38 C ATOM 102 C ASN A 7 -8.834 -2.777 -0.117 1.00 0.34 C ATOM 103 O ASN A 7 -8.706 -2.090 -1.114 1.00 0.40 O ATOM 104 CB ASN A 7 -9.514 -1.406 1.875 1.00 0.45 C ATOM 105 CG ASN A 7 -9.632 -0.071 1.128 1.00 0.57 C ATOM 106 OD1 ASN A 7 -10.306 0.019 0.121 1.00 0.77 O ATOM 107 ND2 ASN A 7 -9.001 0.977 1.585 1.00 0.76 N ATOM 0 H ASN A 7 -7.266 -0.548 0.677 1.00 0.38 H new ATOM 0 HA ASN A 7 -8.203 -3.115 1.916 1.00 0.38 H new ATOM 0 HB2 ASN A 7 -10.462 -1.942 1.827 1.00 0.45 H new ATOM 0 HB3 ASN A 7 -9.304 -1.223 2.929 1.00 0.45 H new ATOM 0 HD21 ASN A 7 -9.074 1.870 1.097 1.00 0.76 H new ATOM 0 HD22 ASN A 7 -8.435 0.903 2.430 1.00 0.76 H new ATOM 114 N ASP A 8 -9.346 -3.985 -0.176 1.00 0.32 N ATOM 115 CA ASP A 8 -9.789 -4.555 -1.483 1.00 0.35 C ATOM 116 C ASP A 8 -11.155 -3.969 -1.871 1.00 0.41 C ATOM 117 O ASP A 8 -11.234 -3.089 -2.711 1.00 0.50 O ATOM 118 CB ASP A 8 -9.878 -6.085 -1.373 1.00 0.40 C ATOM 119 CG ASP A 8 -8.553 -6.710 -1.828 1.00 0.61 C ATOM 120 OD1 ASP A 8 -7.654 -6.814 -1.006 1.00 0.80 O ATOM 121 OD2 ASP A 8 -8.458 -7.075 -2.989 1.00 0.81 O ATOM 0 H ASP A 8 -9.475 -4.599 0.628 1.00 0.32 H new ATOM 0 HA ASP A 8 -9.065 -4.296 -2.256 1.00 0.35 H new ATOM 0 HB2 ASP A 8 -10.094 -6.374 -0.344 1.00 0.40 H new ATOM 0 HB3 ASP A 8 -10.698 -6.457 -1.988 1.00 0.40 H new ATOM 198 N LYS A 13 -8.428 -5.845 4.177 1.00 0.48 N ATOM 199 CA LYS A 13 -7.395 -4.762 4.112 1.00 0.47 C ATOM 200 C LYS A 13 -6.075 -5.247 4.735 1.00 0.48 C ATOM 201 O LYS A 13 -6.057 -6.150 5.555 1.00 0.62 O ATOM 202 CB LYS A 13 -7.900 -3.517 4.857 1.00 0.55 C ATOM 203 CG LYS A 13 -8.110 -3.830 6.340 1.00 0.64 C ATOM 204 CD LYS A 13 -8.882 -2.684 7.000 1.00 0.86 C ATOM 205 CE LYS A 13 -7.897 -1.730 7.683 1.00 1.16 C ATOM 206 NZ LYS A 13 -8.508 -0.376 7.807 1.00 1.92 N ATOM 0 HA LYS A 13 -7.216 -4.507 3.067 1.00 0.47 H new ATOM 0 HB2 LYS A 13 -7.182 -2.704 4.749 1.00 0.55 H new ATOM 0 HB3 LYS A 13 -8.836 -3.176 4.415 1.00 0.55 H new ATOM 0 HG2 LYS A 13 -8.660 -4.764 6.451 1.00 0.64 H new ATOM 0 HG3 LYS A 13 -7.148 -3.966 6.834 1.00 0.64 H new ATOM 0 HD2 LYS A 13 -9.466 -2.147 6.252 1.00 0.86 H new ATOM 0 HD3 LYS A 13 -9.587 -3.080 7.731 1.00 0.86 H new ATOM 0 HE2 LYS A 13 -7.632 -2.111 8.669 1.00 1.16 H new ATOM 0 HE3 LYS A 13 -6.974 -1.671 7.106 1.00 1.16 H new ATOM 0 HZ1 LYS A 13 -7.835 0.267 8.271 1.00 1.92 H new ATOM 0 HZ2 LYS A 13 -8.739 -0.011 6.861 1.00 1.92 H new ATOM 0 HZ3 LYS A 13 -9.376 -0.438 8.376 1.00 1.92 H new ATOM 220 N VAL A 14 -4.973 -4.648 4.343 1.00 0.48 N ATOM 221 CA VAL A 14 -3.637 -5.058 4.895 1.00 0.60 C ATOM 222 C VAL A 14 -2.786 -3.810 5.168 1.00 0.49 C ATOM 223 O VAL A 14 -3.017 -2.752 4.611 1.00 0.51 O ATOM 224 CB VAL A 14 -2.889 -5.965 3.896 1.00 0.81 C ATOM 225 CG1 VAL A 14 -2.718 -7.362 4.496 1.00 1.26 C ATOM 226 CG2 VAL A 14 -3.668 -6.076 2.577 1.00 0.76 C ATOM 0 H VAL A 14 -4.940 -3.890 3.662 1.00 0.48 H new ATOM 0 HA VAL A 14 -3.803 -5.609 5.821 1.00 0.60 H new ATOM 0 HB VAL A 14 -1.913 -5.524 3.695 1.00 0.81 H new ATOM 0 HG11 VAL A 14 -2.189 -8.000 3.788 1.00 1.26 H new ATOM 0 HG12 VAL A 14 -2.145 -7.293 5.420 1.00 1.26 H new ATOM 0 HG13 VAL A 14 -3.698 -7.789 4.708 1.00 1.26 H new ATOM 0 HG21 VAL A 14 -3.124 -6.720 1.886 1.00 0.76 H new ATOM 0 HG22 VAL A 14 -4.653 -6.502 2.771 1.00 0.76 H new ATOM 0 HG23 VAL A 14 -3.781 -5.085 2.137 1.00 0.76 H new ATOM 236 N ARG A 15 -1.796 -3.937 6.023 1.00 0.43 N ATOM 237 CA ARG A 15 -0.911 -2.775 6.345 1.00 0.38 C ATOM 238 C ARG A 15 0.473 -2.997 5.719 1.00 0.32 C ATOM 239 O ARG A 15 1.046 -4.069 5.821 1.00 0.37 O ATOM 240 CB ARG A 15 -0.769 -2.647 7.866 1.00 0.46 C ATOM 241 CG ARG A 15 -1.808 -1.658 8.406 1.00 0.64 C ATOM 242 CD ARG A 15 -3.169 -2.347 8.528 1.00 1.16 C ATOM 243 NE ARG A 15 -3.101 -3.396 9.591 1.00 1.07 N ATOM 244 CZ ARG A 15 -4.185 -3.760 10.228 1.00 1.55 C ATOM 245 NH1 ARG A 15 -5.250 -4.128 9.561 1.00 2.36 N ATOM 246 NH2 ARG A 15 -4.203 -3.761 11.539 1.00 1.88 N ATOM 0 H ARG A 15 -1.564 -4.801 6.513 1.00 0.43 H new ATOM 0 HA ARG A 15 -1.350 -1.862 5.943 1.00 0.38 H new ATOM 0 HB2 ARG A 15 -0.903 -3.621 8.336 1.00 0.46 H new ATOM 0 HB3 ARG A 15 0.235 -2.307 8.119 1.00 0.46 H new ATOM 0 HG2 ARG A 15 -1.493 -1.281 9.379 1.00 0.64 H new ATOM 0 HG3 ARG A 15 -1.884 -0.798 7.741 1.00 0.64 H new ATOM 0 HD2 ARG A 15 -3.939 -1.615 8.773 1.00 1.16 H new ATOM 0 HD3 ARG A 15 -3.448 -2.797 7.575 1.00 1.16 H new ATOM 0 HE ARG A 15 -2.207 -3.830 9.821 1.00 1.07 H new ATOM 0 HH11 ARG A 15 -5.237 -4.132 8.541 1.00 2.36 H new ATOM 0 HH12 ARG A 15 -6.093 -4.411 10.061 1.00 2.36 H new ATOM 0 HH21 ARG A 15 -3.373 -3.478 12.061 1.00 1.88 H new ATOM 0 HH22 ARG A 15 -5.047 -4.044 12.037 1.00 1.88 H new ATOM 260 N VAL A 16 1.013 -1.989 5.074 1.00 0.34 N ATOM 261 CA VAL A 16 2.361 -2.124 4.438 1.00 0.32 C ATOM 262 C VAL A 16 3.116 -0.790 4.561 1.00 0.33 C ATOM 263 O VAL A 16 2.542 0.274 4.402 1.00 0.40 O ATOM 264 CB VAL A 16 2.195 -2.524 2.958 1.00 0.35 C ATOM 265 CG1 VAL A 16 1.472 -1.419 2.182 1.00 0.43 C ATOM 266 CG2 VAL A 16 3.570 -2.773 2.328 1.00 0.46 C ATOM 0 H VAL A 16 0.575 -1.075 4.961 1.00 0.34 H new ATOM 0 HA VAL A 16 2.936 -2.900 4.943 1.00 0.32 H new ATOM 0 HB VAL A 16 1.601 -3.437 2.911 1.00 0.35 H new ATOM 0 HG11 VAL A 16 1.363 -1.718 1.139 1.00 0.43 H new ATOM 0 HG12 VAL A 16 0.486 -1.254 2.617 1.00 0.43 H new ATOM 0 HG13 VAL A 16 2.051 -0.497 2.237 1.00 0.43 H new ATOM 0 HG21 VAL A 16 3.445 -3.055 1.283 1.00 0.46 H new ATOM 0 HG22 VAL A 16 4.168 -1.864 2.390 1.00 0.46 H new ATOM 0 HG23 VAL A 16 4.075 -3.577 2.863 1.00 0.46 H new ATOM 276 N LYS A 17 4.395 -0.843 4.858 1.00 0.38 N ATOM 277 CA LYS A 17 5.190 0.417 5.007 1.00 0.41 C ATOM 278 C LYS A 17 6.259 0.513 3.908 1.00 0.36 C ATOM 279 O LYS A 17 6.938 -0.451 3.598 1.00 0.43 O ATOM 280 CB LYS A 17 5.863 0.458 6.389 1.00 0.55 C ATOM 281 CG LYS A 17 6.716 -0.800 6.614 1.00 0.64 C ATOM 282 CD LYS A 17 6.598 -1.235 8.078 1.00 1.00 C ATOM 283 CE LYS A 17 6.722 -2.759 8.175 1.00 1.66 C ATOM 284 NZ LYS A 17 5.657 -3.293 9.071 1.00 2.31 N ATOM 0 H LYS A 17 4.921 -1.705 5.003 1.00 0.38 H new ATOM 0 HA LYS A 17 4.511 1.265 4.913 1.00 0.41 H new ATOM 0 HB2 LYS A 17 6.489 1.347 6.468 1.00 0.55 H new ATOM 0 HB3 LYS A 17 5.103 0.533 7.167 1.00 0.55 H new ATOM 0 HG2 LYS A 17 6.382 -1.602 5.956 1.00 0.64 H new ATOM 0 HG3 LYS A 17 7.758 -0.597 6.366 1.00 0.64 H new ATOM 0 HD2 LYS A 17 7.377 -0.758 8.673 1.00 1.00 H new ATOM 0 HD3 LYS A 17 5.641 -0.911 8.488 1.00 1.00 H new ATOM 0 HE2 LYS A 17 6.634 -3.205 7.184 1.00 1.66 H new ATOM 0 HE3 LYS A 17 7.705 -3.030 8.561 1.00 1.66 H new ATOM 0 HZ1 LYS A 17 5.744 -4.327 9.135 1.00 2.31 H new ATOM 0 HZ2 LYS A 17 5.760 -2.878 10.019 1.00 2.31 H new ATOM 0 HZ3 LYS A 17 4.723 -3.047 8.685 1.00 2.31 H new ATOM 298 N CYS A 18 6.407 1.684 3.328 1.00 0.34 N ATOM 299 CA CYS A 18 7.423 1.889 2.250 1.00 0.33 C ATOM 300 C CYS A 18 7.884 3.354 2.251 1.00 0.32 C ATOM 301 O CYS A 18 7.181 4.235 2.716 1.00 0.39 O ATOM 302 CB CYS A 18 6.802 1.553 0.891 1.00 0.36 C ATOM 303 SG CYS A 18 7.601 0.081 0.210 1.00 0.85 S ATOM 0 H CYS A 18 5.860 2.513 3.561 1.00 0.34 H new ATOM 0 HA CYS A 18 8.278 1.238 2.431 1.00 0.33 H new ATOM 0 HB2 CYS A 18 5.731 1.381 1.001 1.00 0.36 H new ATOM 0 HB3 CYS A 18 6.921 2.393 0.207 1.00 0.36 H new ATOM 0 HG CYS A 18 8.539 0.439 -0.616 1.00 0.85 H new ATOM 309 N LEU A 19 9.057 3.623 1.725 1.00 0.34 N ATOM 310 CA LEU A 19 9.565 5.029 1.685 1.00 0.34 C ATOM 311 C LEU A 19 8.875 5.787 0.544 1.00 0.33 C ATOM 312 O LEU A 19 8.613 5.232 -0.510 1.00 0.33 O ATOM 313 CB LEU A 19 11.080 5.021 1.448 1.00 0.39 C ATOM 314 CG LEU A 19 11.814 5.371 2.745 1.00 0.64 C ATOM 315 CD1 LEU A 19 13.115 4.570 2.823 1.00 1.01 C ATOM 316 CD2 LEU A 19 12.140 6.867 2.762 1.00 1.10 C ATOM 0 H LEU A 19 9.684 2.927 1.322 1.00 0.34 H new ATOM 0 HA LEU A 19 9.349 5.520 2.634 1.00 0.34 H new ATOM 0 HB2 LEU A 19 11.396 4.039 1.095 1.00 0.39 H new ATOM 0 HB3 LEU A 19 11.338 5.738 0.669 1.00 0.39 H new ATOM 0 HG LEU A 19 11.180 5.127 3.597 1.00 0.64 H new ATOM 0 HD11 LEU A 19 13.640 4.817 3.746 1.00 1.01 H new ATOM 0 HD12 LEU A 19 12.887 3.504 2.810 1.00 1.01 H new ATOM 0 HD13 LEU A 19 13.746 4.817 1.969 1.00 1.01 H new ATOM 0 HD21 LEU A 19 12.663 7.115 3.686 1.00 1.10 H new ATOM 0 HD22 LEU A 19 12.774 7.111 1.910 1.00 1.10 H new ATOM 0 HD23 LEU A 19 11.216 7.442 2.703 1.00 1.10 H new ATOM 328 N ALA A 20 8.586 7.052 0.747 1.00 0.39 N ATOM 329 CA ALA A 20 7.917 7.863 -0.321 1.00 0.43 C ATOM 330 C ALA A 20 8.818 7.946 -1.565 1.00 0.40 C ATOM 331 O ALA A 20 8.344 8.192 -2.661 1.00 0.44 O ATOM 332 CB ALA A 20 7.646 9.276 0.208 1.00 0.55 C ATOM 0 H ALA A 20 8.786 7.559 1.609 1.00 0.39 H new ATOM 0 HA ALA A 20 6.976 7.385 -0.595 1.00 0.43 H new ATOM 0 HB1 ALA A 20 7.159 9.868 -0.567 1.00 0.55 H new ATOM 0 HB2 ALA A 20 6.997 9.219 1.082 1.00 0.55 H new ATOM 0 HB3 ALA A 20 8.589 9.747 0.486 1.00 0.55 H new ATOM 338 N GLU A 21 10.106 7.734 -1.405 1.00 0.40 N ATOM 339 CA GLU A 21 11.037 7.789 -2.573 1.00 0.44 C ATOM 340 C GLU A 21 10.978 6.467 -3.351 1.00 0.39 C ATOM 341 O GLU A 21 11.312 6.418 -4.521 1.00 0.47 O ATOM 342 CB GLU A 21 12.472 8.033 -2.083 1.00 0.53 C ATOM 343 CG GLU A 21 12.901 6.916 -1.120 1.00 0.53 C ATOM 344 CD GLU A 21 13.899 5.980 -1.814 1.00 0.60 C ATOM 345 OE1 GLU A 21 15.048 6.367 -1.956 1.00 0.80 O ATOM 346 OE2 GLU A 21 13.497 4.889 -2.188 1.00 0.70 O ATOM 0 H GLU A 21 10.550 7.525 -0.511 1.00 0.40 H new ATOM 0 HA GLU A 21 10.735 8.606 -3.229 1.00 0.44 H new ATOM 0 HB2 GLU A 21 13.153 8.071 -2.933 1.00 0.53 H new ATOM 0 HB3 GLU A 21 12.534 8.999 -1.582 1.00 0.53 H new ATOM 0 HG2 GLU A 21 13.355 7.348 -0.228 1.00 0.53 H new ATOM 0 HG3 GLU A 21 12.028 6.352 -0.792 1.00 0.53 H new ATOM 353 N ASP A 22 10.560 5.396 -2.708 1.00 0.33 N ATOM 354 CA ASP A 22 10.481 4.078 -3.406 1.00 0.35 C ATOM 355 C ASP A 22 9.443 4.146 -4.531 1.00 0.33 C ATOM 356 O ASP A 22 8.517 4.939 -4.491 1.00 0.43 O ATOM 357 CB ASP A 22 10.082 2.984 -2.406 1.00 0.35 C ATOM 358 CG ASP A 22 11.340 2.314 -1.846 1.00 0.48 C ATOM 359 OD1 ASP A 22 11.937 1.522 -2.558 1.00 0.67 O ATOM 360 OD2 ASP A 22 11.688 2.602 -0.712 1.00 0.66 O ATOM 0 H ASP A 22 10.271 5.384 -1.730 1.00 0.33 H new ATOM 0 HA ASP A 22 11.457 3.842 -3.830 1.00 0.35 H new ATOM 0 HB2 ASP A 22 9.496 3.416 -1.594 1.00 0.35 H new ATOM 0 HB3 ASP A 22 9.451 2.243 -2.896 1.00 0.35 H new ATOM 365 N SER A 23 9.598 3.323 -5.540 1.00 0.35 N ATOM 366 CA SER A 23 8.632 3.336 -6.681 1.00 0.37 C ATOM 367 C SER A 23 7.444 2.412 -6.385 1.00 0.31 C ATOM 368 O SER A 23 7.479 1.609 -5.468 1.00 0.30 O ATOM 369 CB SER A 23 9.342 2.865 -7.957 1.00 0.47 C ATOM 370 OG SER A 23 9.854 1.551 -7.760 1.00 0.53 O ATOM 0 H SER A 23 10.353 2.642 -5.622 1.00 0.35 H new ATOM 0 HA SER A 23 8.262 4.352 -6.819 1.00 0.37 H new ATOM 0 HB2 SER A 23 8.647 2.873 -8.797 1.00 0.47 H new ATOM 0 HB3 SER A 23 10.153 3.549 -8.208 1.00 0.47 H new ATOM 0 HG SER A 23 10.306 1.250 -8.576 1.00 0.53 H new ATOM 376 N VAL A 24 6.395 2.517 -7.173 1.00 0.32 N ATOM 377 CA VAL A 24 5.196 1.643 -6.967 1.00 0.30 C ATOM 378 C VAL A 24 5.617 0.175 -7.123 1.00 0.27 C ATOM 379 O VAL A 24 5.109 -0.695 -6.439 1.00 0.29 O ATOM 380 CB VAL A 24 4.120 1.994 -8.004 1.00 0.37 C ATOM 381 CG1 VAL A 24 2.919 1.051 -7.858 1.00 0.45 C ATOM 382 CG2 VAL A 24 3.653 3.437 -7.784 1.00 0.41 C ATOM 0 H VAL A 24 6.320 3.173 -7.951 1.00 0.32 H new ATOM 0 HA VAL A 24 4.788 1.800 -5.969 1.00 0.30 H new ATOM 0 HB VAL A 24 4.543 1.887 -9.003 1.00 0.37 H new ATOM 0 HG11 VAL A 24 2.162 1.309 -8.598 1.00 0.45 H new ATOM 0 HG12 VAL A 24 3.243 0.022 -8.014 1.00 0.45 H new ATOM 0 HG13 VAL A 24 2.497 1.151 -6.858 1.00 0.45 H new ATOM 0 HG21 VAL A 24 2.889 3.688 -8.520 1.00 0.41 H new ATOM 0 HG22 VAL A 24 3.238 3.536 -6.781 1.00 0.41 H new ATOM 0 HG23 VAL A 24 4.500 4.114 -7.895 1.00 0.41 H new ATOM 392 N GLY A 25 6.556 -0.099 -8.008 1.00 0.27 N ATOM 393 CA GLY A 25 7.035 -1.504 -8.200 1.00 0.29 C ATOM 394 C GLY A 25 7.547 -2.044 -6.859 1.00 0.28 C ATOM 395 O GLY A 25 7.217 -3.147 -6.460 1.00 0.34 O ATOM 0 H GLY A 25 7.008 0.594 -8.604 1.00 0.27 H new ATOM 0 HA2 GLY A 25 6.225 -2.130 -8.574 1.00 0.29 H new ATOM 0 HA3 GLY A 25 7.830 -1.532 -8.946 1.00 0.29 H new ATOM 399 N ASP A 26 8.334 -1.259 -6.155 1.00 0.28 N ATOM 400 CA ASP A 26 8.858 -1.697 -4.823 1.00 0.32 C ATOM 401 C ASP A 26 7.686 -1.795 -3.835 1.00 0.30 C ATOM 402 O ASP A 26 7.635 -2.689 -3.010 1.00 0.35 O ATOM 403 CB ASP A 26 9.879 -0.673 -4.312 1.00 0.39 C ATOM 404 CG ASP A 26 10.573 -1.216 -3.057 1.00 0.61 C ATOM 405 OD1 ASP A 26 11.560 -1.918 -3.205 1.00 0.84 O ATOM 406 OD2 ASP A 26 10.108 -0.915 -1.968 1.00 0.78 O ATOM 0 H ASP A 26 8.635 -0.330 -6.450 1.00 0.28 H new ATOM 0 HA ASP A 26 9.343 -2.669 -4.917 1.00 0.32 H new ATOM 0 HB2 ASP A 26 10.618 -0.464 -5.086 1.00 0.39 H new ATOM 0 HB3 ASP A 26 9.381 0.269 -4.085 1.00 0.39 H new ATOM 411 N PHE A 27 6.742 -0.883 -3.930 1.00 0.29 N ATOM 412 CA PHE A 27 5.553 -0.907 -3.022 1.00 0.29 C ATOM 413 C PHE A 27 4.787 -2.223 -3.230 1.00 0.27 C ATOM 414 O PHE A 27 4.335 -2.843 -2.283 1.00 0.30 O ATOM 415 CB PHE A 27 4.646 0.286 -3.359 1.00 0.33 C ATOM 416 CG PHE A 27 3.514 0.383 -2.360 1.00 0.35 C ATOM 417 CD1 PHE A 27 3.789 0.483 -0.991 1.00 0.46 C ATOM 418 CD2 PHE A 27 2.188 0.384 -2.808 1.00 0.48 C ATOM 419 CE1 PHE A 27 2.739 0.578 -0.072 1.00 0.53 C ATOM 420 CE2 PHE A 27 1.138 0.479 -1.889 1.00 0.55 C ATOM 421 CZ PHE A 27 1.413 0.577 -0.522 1.00 0.53 C ATOM 0 H PHE A 27 6.748 -0.118 -4.605 1.00 0.29 H new ATOM 0 HA PHE A 27 5.871 -0.838 -1.982 1.00 0.29 H new ATOM 0 HB2 PHE A 27 5.228 1.208 -3.350 1.00 0.33 H new ATOM 0 HB3 PHE A 27 4.243 0.173 -4.365 1.00 0.33 H new ATOM 0 HD1 PHE A 27 4.812 0.487 -0.645 1.00 0.46 H new ATOM 0 HD2 PHE A 27 1.975 0.311 -3.864 1.00 0.48 H new ATOM 0 HE1 PHE A 27 2.951 0.652 0.984 1.00 0.53 H new ATOM 0 HE2 PHE A 27 0.115 0.477 -2.235 1.00 0.55 H new ATOM 0 HZ PHE A 27 0.602 0.652 0.188 1.00 0.53 H new ATOM 431 N LYS A 28 4.657 -2.653 -4.466 1.00 0.27 N ATOM 432 CA LYS A 28 3.941 -3.933 -4.762 1.00 0.29 C ATOM 433 C LYS A 28 4.797 -5.119 -4.300 1.00 0.29 C ATOM 434 O LYS A 28 4.280 -6.135 -3.878 1.00 0.34 O ATOM 435 CB LYS A 28 3.694 -4.047 -6.270 1.00 0.31 C ATOM 436 CG LYS A 28 2.561 -3.103 -6.681 1.00 0.37 C ATOM 437 CD LYS A 28 2.502 -3.010 -8.208 1.00 0.58 C ATOM 438 CE LYS A 28 1.374 -2.061 -8.620 1.00 0.52 C ATOM 439 NZ LYS A 28 1.576 -1.634 -10.035 1.00 0.81 N ATOM 0 H LYS A 28 5.020 -2.167 -5.286 1.00 0.27 H new ATOM 0 HA LYS A 28 2.988 -3.942 -4.234 1.00 0.29 H new ATOM 0 HB2 LYS A 28 4.604 -3.799 -6.817 1.00 0.31 H new ATOM 0 HB3 LYS A 28 3.437 -5.074 -6.529 1.00 0.31 H new ATOM 0 HG2 LYS A 28 1.610 -3.467 -6.291 1.00 0.37 H new ATOM 0 HG3 LYS A 28 2.723 -2.114 -6.252 1.00 0.37 H new ATOM 0 HD2 LYS A 28 3.454 -2.650 -8.598 1.00 0.58 H new ATOM 0 HD3 LYS A 28 2.335 -3.998 -8.637 1.00 0.58 H new ATOM 0 HE2 LYS A 28 0.409 -2.557 -8.513 1.00 0.52 H new ATOM 0 HE3 LYS A 28 1.359 -1.190 -7.965 1.00 0.52 H new ATOM 0 HZ1 LYS A 28 1.096 -0.725 -10.195 1.00 0.81 H new ATOM 0 HZ2 LYS A 28 2.593 -1.527 -10.223 1.00 0.81 H new ATOM 0 HZ3 LYS A 28 1.179 -2.352 -10.674 1.00 0.81 H new ATOM 453 N LYS A 29 6.106 -4.993 -4.380 1.00 0.31 N ATOM 454 CA LYS A 29 7.011 -6.104 -3.948 1.00 0.34 C ATOM 455 C LYS A 29 6.873 -6.331 -2.438 1.00 0.32 C ATOM 456 O LYS A 29 6.829 -7.457 -1.976 1.00 0.37 O ATOM 457 CB LYS A 29 8.462 -5.740 -4.273 1.00 0.41 C ATOM 458 CG LYS A 29 8.748 -6.035 -5.747 1.00 0.49 C ATOM 459 CD LYS A 29 10.216 -5.722 -6.053 1.00 0.79 C ATOM 460 CE LYS A 29 10.311 -4.925 -7.358 1.00 1.15 C ATOM 461 NZ LYS A 29 11.094 -3.676 -7.129 1.00 1.73 N ATOM 0 H LYS A 29 6.584 -4.162 -4.728 1.00 0.31 H new ATOM 0 HA LYS A 29 6.734 -7.015 -4.478 1.00 0.34 H new ATOM 0 HB2 LYS A 29 8.639 -4.685 -4.062 1.00 0.41 H new ATOM 0 HB3 LYS A 29 9.141 -6.310 -3.639 1.00 0.41 H new ATOM 0 HG2 LYS A 29 8.534 -7.081 -5.968 1.00 0.49 H new ATOM 0 HG3 LYS A 29 8.097 -5.435 -6.382 1.00 0.49 H new ATOM 0 HD2 LYS A 29 10.655 -5.152 -5.234 1.00 0.79 H new ATOM 0 HD3 LYS A 29 10.785 -6.648 -6.138 1.00 0.79 H new ATOM 0 HE2 LYS A 29 10.788 -5.529 -8.130 1.00 1.15 H new ATOM 0 HE3 LYS A 29 9.312 -4.679 -7.718 1.00 1.15 H new ATOM 0 HZ1 LYS A 29 11.503 -3.353 -8.029 1.00 1.73 H new ATOM 0 HZ2 LYS A 29 10.467 -2.938 -6.748 1.00 1.73 H new ATOM 0 HZ3 LYS A 29 11.859 -3.865 -6.450 1.00 1.73 H new ATOM 475 N VAL A 30 6.798 -5.269 -1.666 1.00 0.29 N ATOM 476 CA VAL A 30 6.655 -5.419 -0.184 1.00 0.29 C ATOM 477 C VAL A 30 5.263 -5.986 0.135 1.00 0.28 C ATOM 478 O VAL A 30 5.105 -6.777 1.048 1.00 0.33 O ATOM 479 CB VAL A 30 6.827 -4.055 0.498 1.00 0.33 C ATOM 480 CG1 VAL A 30 6.725 -4.222 2.017 1.00 0.37 C ATOM 481 CG2 VAL A 30 8.203 -3.474 0.149 1.00 0.38 C ATOM 0 H VAL A 30 6.830 -4.306 -2.001 1.00 0.29 H new ATOM 0 HA VAL A 30 7.421 -6.099 0.187 1.00 0.29 H new ATOM 0 HB VAL A 30 6.045 -3.381 0.150 1.00 0.33 H new ATOM 0 HG11 VAL A 30 6.848 -3.252 2.499 1.00 0.37 H new ATOM 0 HG12 VAL A 30 5.749 -4.634 2.273 1.00 0.37 H new ATOM 0 HG13 VAL A 30 7.506 -4.900 2.362 1.00 0.37 H new ATOM 0 HG21 VAL A 30 8.323 -2.505 0.634 1.00 0.38 H new ATOM 0 HG22 VAL A 30 8.983 -4.152 0.495 1.00 0.38 H new ATOM 0 HG23 VAL A 30 8.283 -3.351 -0.931 1.00 0.38 H new ATOM 491 N LEU A 31 4.260 -5.594 -0.620 1.00 0.27 N ATOM 492 CA LEU A 31 2.879 -6.113 -0.377 1.00 0.28 C ATOM 493 C LEU A 31 2.802 -7.587 -0.791 1.00 0.28 C ATOM 494 O LEU A 31 2.325 -8.417 -0.044 1.00 0.32 O ATOM 495 CB LEU A 31 1.874 -5.301 -1.199 1.00 0.30 C ATOM 496 CG LEU A 31 1.311 -4.163 -0.345 1.00 0.36 C ATOM 497 CD1 LEU A 31 1.054 -2.939 -1.227 1.00 0.48 C ATOM 498 CD2 LEU A 31 -0.004 -4.612 0.302 1.00 0.63 C ATOM 0 H LEU A 31 4.342 -4.936 -1.395 1.00 0.27 H new ATOM 0 HA LEU A 31 2.642 -6.021 0.683 1.00 0.28 H new ATOM 0 HB2 LEU A 31 2.359 -4.897 -2.088 1.00 0.30 H new ATOM 0 HB3 LEU A 31 1.065 -5.946 -1.543 1.00 0.30 H new ATOM 0 HG LEU A 31 2.029 -3.904 0.433 1.00 0.36 H new ATOM 0 HD11 LEU A 31 0.653 -2.129 -0.618 1.00 0.48 H new ATOM 0 HD12 LEU A 31 1.989 -2.619 -1.686 1.00 0.48 H new ATOM 0 HD13 LEU A 31 0.337 -3.196 -2.006 1.00 0.48 H new ATOM 0 HD21 LEU A 31 -0.405 -3.802 0.910 1.00 0.63 H new ATOM 0 HD22 LEU A 31 -0.722 -4.872 -0.476 1.00 0.63 H new ATOM 0 HD23 LEU A 31 0.179 -5.482 0.932 1.00 0.63 H new ATOM 510 N SER A 32 3.273 -7.912 -1.976 1.00 0.29 N ATOM 511 CA SER A 32 3.234 -9.333 -2.461 1.00 0.31 C ATOM 512 C SER A 32 3.891 -10.284 -1.444 1.00 0.35 C ATOM 513 O SER A 32 3.637 -11.474 -1.459 1.00 0.39 O ATOM 514 CB SER A 32 3.968 -9.437 -3.803 1.00 0.37 C ATOM 515 OG SER A 32 5.309 -8.987 -3.653 1.00 0.48 O ATOM 0 H SER A 32 3.685 -7.249 -2.632 1.00 0.29 H new ATOM 0 HA SER A 32 2.191 -9.625 -2.582 1.00 0.31 H new ATOM 0 HB2 SER A 32 3.958 -10.469 -4.155 1.00 0.37 H new ATOM 0 HB3 SER A 32 3.456 -8.838 -4.556 1.00 0.37 H new ATOM 0 HG SER A 32 5.415 -8.562 -2.776 1.00 0.48 H new ATOM 521 N LEU A 33 4.729 -9.779 -0.567 1.00 0.40 N ATOM 522 CA LEU A 33 5.391 -10.661 0.440 1.00 0.49 C ATOM 523 C LEU A 33 4.390 -11.053 1.541 1.00 0.51 C ATOM 524 O LEU A 33 4.371 -12.186 1.989 1.00 0.59 O ATOM 525 CB LEU A 33 6.580 -9.920 1.070 1.00 0.56 C ATOM 526 CG LEU A 33 7.902 -10.553 0.614 1.00 0.59 C ATOM 527 CD1 LEU A 33 7.979 -12.004 1.101 1.00 0.62 C ATOM 528 CD2 LEU A 33 7.993 -10.522 -0.917 1.00 0.64 C ATOM 0 H LEU A 33 4.981 -8.792 -0.508 1.00 0.40 H new ATOM 0 HA LEU A 33 5.744 -11.564 -0.058 1.00 0.49 H new ATOM 0 HB2 LEU A 33 6.555 -8.868 0.785 1.00 0.56 H new ATOM 0 HB3 LEU A 33 6.506 -9.957 2.157 1.00 0.56 H new ATOM 0 HG LEU A 33 8.731 -9.986 1.037 1.00 0.59 H new ATOM 0 HD11 LEU A 33 8.919 -12.448 0.774 1.00 0.62 H new ATOM 0 HD12 LEU A 33 7.926 -12.026 2.190 1.00 0.62 H new ATOM 0 HD13 LEU A 33 7.146 -12.572 0.686 1.00 0.62 H new ATOM 0 HD21 LEU A 33 8.933 -10.973 -1.235 1.00 0.64 H new ATOM 0 HD22 LEU A 33 7.160 -11.082 -1.342 1.00 0.64 H new ATOM 0 HD23 LEU A 33 7.950 -9.489 -1.263 1.00 0.64 H new ATOM 540 N GLN A 34 3.570 -10.124 1.989 1.00 0.48 N ATOM 541 CA GLN A 34 2.581 -10.441 3.073 1.00 0.55 C ATOM 542 C GLN A 34 1.315 -11.105 2.497 1.00 0.54 C ATOM 543 O GLN A 34 0.733 -11.969 3.128 1.00 0.66 O ATOM 544 CB GLN A 34 2.204 -9.157 3.832 1.00 0.58 C ATOM 545 CG GLN A 34 1.478 -8.176 2.905 1.00 0.56 C ATOM 546 CD GLN A 34 1.265 -6.848 3.635 1.00 0.59 C ATOM 547 OE1 GLN A 34 0.281 -6.669 4.323 1.00 1.03 O ATOM 548 NE2 GLN A 34 2.156 -5.901 3.514 1.00 0.79 N ATOM 0 H GLN A 34 3.544 -9.162 1.650 1.00 0.48 H new ATOM 0 HA GLN A 34 3.048 -11.145 3.762 1.00 0.55 H new ATOM 0 HB2 GLN A 34 1.566 -9.404 4.681 1.00 0.58 H new ATOM 0 HB3 GLN A 34 3.102 -8.689 4.234 1.00 0.58 H new ATOM 0 HG2 GLN A 34 2.062 -8.016 1.999 1.00 0.56 H new ATOM 0 HG3 GLN A 34 0.519 -8.592 2.597 1.00 0.56 H new ATOM 0 HE21 GLN A 34 2.983 -6.050 2.936 1.00 0.79 H new ATOM 0 HE22 GLN A 34 2.025 -5.012 3.997 1.00 0.79 H new ATOM 557 N ILE A 35 0.882 -10.716 1.315 1.00 0.47 N ATOM 558 CA ILE A 35 -0.353 -11.342 0.722 1.00 0.50 C ATOM 559 C ILE A 35 0.023 -12.537 -0.164 1.00 0.49 C ATOM 560 O ILE A 35 -0.781 -13.428 -0.376 1.00 0.59 O ATOM 561 CB ILE A 35 -1.149 -10.323 -0.122 1.00 0.47 C ATOM 562 CG1 ILE A 35 -0.202 -9.382 -0.875 1.00 0.42 C ATOM 563 CG2 ILE A 35 -2.055 -9.500 0.790 1.00 0.57 C ATOM 564 CD1 ILE A 35 -0.999 -8.515 -1.852 1.00 0.46 C ATOM 0 H ILE A 35 1.325 -9.999 0.740 1.00 0.47 H new ATOM 0 HA ILE A 35 -0.976 -11.679 1.550 1.00 0.50 H new ATOM 0 HB ILE A 35 -1.749 -10.871 -0.848 1.00 0.47 H new ATOM 0 HG12 ILE A 35 0.335 -8.749 -0.168 1.00 0.42 H new ATOM 0 HG13 ILE A 35 0.546 -9.961 -1.416 1.00 0.42 H new ATOM 0 HG21 ILE A 35 -2.616 -8.781 0.193 1.00 0.57 H new ATOM 0 HG22 ILE A 35 -2.749 -10.162 1.307 1.00 0.57 H new ATOM 0 HG23 ILE A 35 -1.448 -8.968 1.522 1.00 0.57 H new ATOM 0 HD11 ILE A 35 -0.320 -7.848 -2.384 1.00 0.46 H new ATOM 0 HD12 ILE A 35 -1.515 -9.154 -2.568 1.00 0.46 H new ATOM 0 HD13 ILE A 35 -1.730 -7.924 -1.301 1.00 0.46 H new ATOM 576 N GLY A 36 1.225 -12.561 -0.693 1.00 0.44 N ATOM 577 CA GLY A 36 1.641 -13.692 -1.578 1.00 0.46 C ATOM 578 C GLY A 36 0.863 -13.601 -2.892 1.00 0.44 C ATOM 579 O GLY A 36 0.337 -14.583 -3.383 1.00 0.52 O ATOM 0 H GLY A 36 1.935 -11.844 -0.548 1.00 0.44 H new ATOM 0 HA2 GLY A 36 2.713 -13.646 -1.770 1.00 0.46 H new ATOM 0 HA3 GLY A 36 1.445 -14.646 -1.089 1.00 0.46 H new ATOM 583 N THR A 37 0.780 -12.417 -3.451 1.00 0.39 N ATOM 584 CA THR A 37 0.031 -12.222 -4.730 1.00 0.39 C ATOM 585 C THR A 37 0.992 -11.759 -5.840 1.00 0.39 C ATOM 586 O THR A 37 0.568 -11.499 -6.951 1.00 0.44 O ATOM 587 CB THR A 37 -1.063 -11.158 -4.522 1.00 0.37 C ATOM 588 OG1 THR A 37 -1.572 -11.239 -3.194 1.00 0.44 O ATOM 589 CG2 THR A 37 -2.207 -11.383 -5.511 1.00 0.44 C ATOM 0 H THR A 37 1.204 -11.571 -3.071 1.00 0.39 H new ATOM 0 HA THR A 37 -0.424 -13.167 -5.026 1.00 0.39 H new ATOM 0 HB THR A 37 -0.628 -10.173 -4.688 1.00 0.37 H new ATOM 0 HG1 THR A 37 -2.509 -10.953 -3.185 1.00 0.44 H new ATOM 0 HG21 THR A 37 -2.976 -10.626 -5.356 1.00 0.44 H new ATOM 0 HG22 THR A 37 -1.827 -11.311 -6.530 1.00 0.44 H new ATOM 0 HG23 THR A 37 -2.635 -12.373 -5.353 1.00 0.44 H new ATOM 597 N GLN A 38 2.280 -11.654 -5.546 1.00 0.41 N ATOM 598 CA GLN A 38 3.284 -11.205 -6.569 1.00 0.47 C ATOM 599 C GLN A 38 3.021 -9.739 -6.959 1.00 0.47 C ATOM 600 O GLN A 38 1.899 -9.272 -6.895 1.00 0.46 O ATOM 601 CB GLN A 38 3.197 -12.093 -7.819 1.00 0.52 C ATOM 602 CG GLN A 38 3.902 -13.425 -7.553 1.00 0.60 C ATOM 603 CD GLN A 38 3.003 -14.576 -8.014 1.00 1.39 C ATOM 604 OE1 GLN A 38 3.105 -15.029 -9.136 1.00 1.91 O ATOM 605 NE2 GLN A 38 2.121 -15.069 -7.188 1.00 2.00 N ATOM 0 H GLN A 38 2.675 -11.864 -4.629 1.00 0.41 H new ATOM 0 HA GLN A 38 4.282 -11.289 -6.139 1.00 0.47 H new ATOM 0 HB2 GLN A 38 2.154 -12.268 -8.081 1.00 0.52 H new ATOM 0 HB3 GLN A 38 3.658 -11.589 -8.668 1.00 0.52 H new ATOM 0 HG2 GLN A 38 4.854 -13.458 -8.083 1.00 0.60 H new ATOM 0 HG3 GLN A 38 4.125 -13.526 -6.491 1.00 0.60 H new ATOM 0 HE21 GLN A 38 2.036 -14.688 -6.246 1.00 2.00 H new ATOM 0 HE22 GLN A 38 1.517 -15.835 -7.485 1.00 2.00 H new ATOM 614 N PRO A 39 4.069 -9.053 -7.361 1.00 0.55 N ATOM 615 CA PRO A 39 3.978 -7.638 -7.777 1.00 0.61 C ATOM 616 C PRO A 39 3.316 -7.519 -9.160 1.00 0.64 C ATOM 617 O PRO A 39 2.863 -6.457 -9.545 1.00 0.74 O ATOM 618 CB PRO A 39 5.438 -7.174 -7.809 1.00 0.71 C ATOM 619 CG PRO A 39 6.299 -8.451 -7.955 1.00 0.72 C ATOM 620 CD PRO A 39 5.434 -9.621 -7.450 1.00 0.62 C ATOM 0 HA PRO A 39 3.366 -7.033 -7.108 1.00 0.61 H new ATOM 0 HB2 PRO A 39 5.611 -6.492 -8.642 1.00 0.71 H new ATOM 0 HB3 PRO A 39 5.694 -6.635 -6.897 1.00 0.71 H new ATOM 0 HG2 PRO A 39 6.592 -8.605 -8.994 1.00 0.72 H new ATOM 0 HG3 PRO A 39 7.217 -8.368 -7.374 1.00 0.72 H new ATOM 0 HD2 PRO A 39 5.469 -10.467 -8.136 1.00 0.62 H new ATOM 0 HD3 PRO A 39 5.779 -9.982 -6.481 1.00 0.62 H new ATOM 628 N ASN A 40 3.252 -8.604 -9.900 1.00 0.61 N ATOM 629 CA ASN A 40 2.616 -8.570 -11.251 1.00 0.67 C ATOM 630 C ASN A 40 1.097 -8.797 -11.132 1.00 0.64 C ATOM 631 O ASN A 40 0.353 -8.496 -12.048 1.00 0.76 O ATOM 632 CB ASN A 40 3.236 -9.667 -12.124 1.00 0.76 C ATOM 633 CG ASN A 40 4.353 -9.063 -12.978 1.00 1.17 C ATOM 634 OD1 ASN A 40 4.104 -8.561 -14.056 1.00 1.61 O ATOM 635 ND2 ASN A 40 5.583 -9.092 -12.540 1.00 1.60 N ATOM 0 H ASN A 40 3.616 -9.515 -9.621 1.00 0.61 H new ATOM 0 HA ASN A 40 2.788 -7.594 -11.705 1.00 0.67 H new ATOM 0 HB2 ASN A 40 3.633 -10.465 -11.497 1.00 0.76 H new ATOM 0 HB3 ASN A 40 2.474 -10.113 -12.764 1.00 0.76 H new ATOM 0 HD21 ASN A 40 6.334 -8.693 -13.103 1.00 1.60 H new ATOM 0 HD22 ASN A 40 5.792 -9.513 -11.635 1.00 1.60 H new ATOM 642 N LYS A 41 0.631 -9.325 -10.016 1.00 0.52 N ATOM 643 CA LYS A 41 -0.837 -9.569 -9.846 1.00 0.52 C ATOM 644 C LYS A 41 -1.444 -8.572 -8.839 1.00 0.46 C ATOM 645 O LYS A 41 -2.620 -8.646 -8.530 1.00 0.55 O ATOM 646 CB LYS A 41 -1.052 -10.996 -9.331 1.00 0.55 C ATOM 647 CG LYS A 41 -1.830 -11.810 -10.364 1.00 0.62 C ATOM 648 CD LYS A 41 -2.528 -12.977 -9.660 1.00 1.45 C ATOM 649 CE LYS A 41 -2.345 -14.259 -10.476 1.00 1.59 C ATOM 650 NZ LYS A 41 -1.896 -15.364 -9.579 1.00 2.24 N ATOM 0 H LYS A 41 1.208 -9.596 -9.219 1.00 0.52 H new ATOM 0 HA LYS A 41 -1.328 -9.435 -10.810 1.00 0.52 H new ATOM 0 HB2 LYS A 41 -0.090 -11.469 -9.132 1.00 0.55 H new ATOM 0 HB3 LYS A 41 -1.597 -10.973 -8.387 1.00 0.55 H new ATOM 0 HG2 LYS A 41 -2.565 -11.179 -10.864 1.00 0.62 H new ATOM 0 HG3 LYS A 41 -1.155 -12.185 -11.133 1.00 0.62 H new ATOM 0 HD2 LYS A 41 -2.115 -13.110 -8.660 1.00 1.45 H new ATOM 0 HD3 LYS A 41 -3.589 -12.759 -9.541 1.00 1.45 H new ATOM 0 HE2 LYS A 41 -3.282 -14.530 -10.962 1.00 1.59 H new ATOM 0 HE3 LYS A 41 -1.612 -14.098 -11.266 1.00 1.59 H new ATOM 0 HZ1 LYS A 41 -1.772 -16.234 -10.135 1.00 2.24 H new ATOM 0 HZ2 LYS A 41 -0.992 -15.105 -9.135 1.00 2.24 H new ATOM 0 HZ3 LYS A 41 -2.611 -15.524 -8.841 1.00 2.24 H new ATOM 664 N ILE A 42 -0.663 -7.641 -8.327 1.00 0.41 N ATOM 665 CA ILE A 42 -1.217 -6.655 -7.348 1.00 0.37 C ATOM 666 C ILE A 42 -1.501 -5.322 -8.054 1.00 0.35 C ATOM 667 O ILE A 42 -0.618 -4.705 -8.622 1.00 0.45 O ATOM 668 CB ILE A 42 -0.216 -6.432 -6.202 1.00 0.36 C ATOM 669 CG1 ILE A 42 -0.170 -7.679 -5.311 1.00 0.40 C ATOM 670 CG2 ILE A 42 -0.653 -5.232 -5.358 1.00 0.40 C ATOM 671 CD1 ILE A 42 1.088 -7.638 -4.441 1.00 0.45 C ATOM 0 H ILE A 42 0.327 -7.526 -8.546 1.00 0.41 H new ATOM 0 HA ILE A 42 -2.147 -7.049 -6.937 1.00 0.37 H new ATOM 0 HB ILE A 42 0.771 -6.242 -6.624 1.00 0.36 H new ATOM 0 HG12 ILE A 42 -1.059 -7.722 -4.682 1.00 0.40 H new ATOM 0 HG13 ILE A 42 -0.171 -8.579 -5.926 1.00 0.40 H new ATOM 0 HG21 ILE A 42 0.060 -5.078 -4.548 1.00 0.40 H new ATOM 0 HG22 ILE A 42 -0.688 -4.340 -5.984 1.00 0.40 H new ATOM 0 HG23 ILE A 42 -1.642 -5.422 -4.941 1.00 0.40 H new ATOM 0 HD11 ILE A 42 1.121 -8.524 -3.807 1.00 0.45 H new ATOM 0 HD12 ILE A 42 1.971 -7.615 -5.079 1.00 0.45 H new ATOM 0 HD13 ILE A 42 1.069 -6.745 -3.816 1.00 0.45 H new ATOM 683 N VAL A 43 -2.733 -4.874 -7.998 1.00 0.34 N ATOM 684 CA VAL A 43 -3.113 -3.575 -8.632 1.00 0.36 C ATOM 685 C VAL A 43 -3.474 -2.584 -7.515 1.00 0.33 C ATOM 686 O VAL A 43 -4.529 -2.681 -6.911 1.00 0.40 O ATOM 687 CB VAL A 43 -4.327 -3.782 -9.555 1.00 0.45 C ATOM 688 CG1 VAL A 43 -4.698 -2.457 -10.229 1.00 0.55 C ATOM 689 CG2 VAL A 43 -3.993 -4.822 -10.632 1.00 0.55 C ATOM 0 H VAL A 43 -3.500 -5.361 -7.534 1.00 0.34 H new ATOM 0 HA VAL A 43 -2.284 -3.189 -9.226 1.00 0.36 H new ATOM 0 HB VAL A 43 -5.168 -4.135 -8.958 1.00 0.45 H new ATOM 0 HG11 VAL A 43 -5.558 -2.609 -10.881 1.00 0.55 H new ATOM 0 HG12 VAL A 43 -4.947 -1.718 -9.467 1.00 0.55 H new ATOM 0 HG13 VAL A 43 -3.854 -2.100 -10.819 1.00 0.55 H new ATOM 0 HG21 VAL A 43 -4.857 -4.963 -11.282 1.00 0.55 H new ATOM 0 HG22 VAL A 43 -3.147 -4.474 -11.224 1.00 0.55 H new ATOM 0 HG23 VAL A 43 -3.738 -5.769 -10.157 1.00 0.55 H new ATOM 699 N LEU A 44 -2.601 -1.649 -7.220 1.00 0.31 N ATOM 700 CA LEU A 44 -2.889 -0.666 -6.125 1.00 0.31 C ATOM 701 C LEU A 44 -3.406 0.652 -6.712 1.00 0.32 C ATOM 702 O LEU A 44 -3.024 1.052 -7.798 1.00 0.41 O ATOM 703 CB LEU A 44 -1.611 -0.405 -5.321 1.00 0.36 C ATOM 704 CG LEU A 44 -1.247 -1.659 -4.519 1.00 0.40 C ATOM 705 CD1 LEU A 44 0.276 -1.798 -4.447 1.00 0.48 C ATOM 706 CD2 LEU A 44 -1.817 -1.545 -3.101 1.00 0.50 C ATOM 0 H LEU A 44 -1.704 -1.524 -7.689 1.00 0.31 H new ATOM 0 HA LEU A 44 -3.655 -1.083 -5.471 1.00 0.31 H new ATOM 0 HB2 LEU A 44 -0.794 -0.140 -5.992 1.00 0.36 H new ATOM 0 HB3 LEU A 44 -1.758 0.440 -4.648 1.00 0.36 H new ATOM 0 HG LEU A 44 -1.668 -2.536 -5.010 1.00 0.40 H new ATOM 0 HD11 LEU A 44 0.533 -2.690 -3.876 1.00 0.48 H new ATOM 0 HD12 LEU A 44 0.682 -1.883 -5.455 1.00 0.48 H new ATOM 0 HD13 LEU A 44 0.699 -0.920 -3.958 1.00 0.48 H new ATOM 0 HD21 LEU A 44 -1.557 -2.438 -2.532 1.00 0.50 H new ATOM 0 HD22 LEU A 44 -1.398 -0.667 -2.610 1.00 0.50 H new ATOM 0 HD23 LEU A 44 -2.902 -1.450 -3.151 1.00 0.50 H new ATOM 718 N GLN A 45 -4.276 1.326 -5.993 1.00 0.31 N ATOM 719 CA GLN A 45 -4.839 2.626 -6.487 1.00 0.35 C ATOM 720 C GLN A 45 -4.798 3.666 -5.359 1.00 0.35 C ATOM 721 O GLN A 45 -5.195 3.393 -4.240 1.00 0.49 O ATOM 722 CB GLN A 45 -6.298 2.436 -6.938 1.00 0.42 C ATOM 723 CG GLN A 45 -6.539 0.991 -7.395 1.00 0.44 C ATOM 724 CD GLN A 45 -7.863 0.911 -8.160 1.00 0.61 C ATOM 725 OE1 GLN A 45 -8.923 1.055 -7.582 1.00 0.86 O ATOM 726 NE2 GLN A 45 -7.848 0.688 -9.446 1.00 0.88 N ATOM 0 H GLN A 45 -4.622 1.029 -5.080 1.00 0.31 H new ATOM 0 HA GLN A 45 -4.241 2.968 -7.332 1.00 0.35 H new ATOM 0 HB2 GLN A 45 -6.973 2.681 -6.118 1.00 0.42 H new ATOM 0 HB3 GLN A 45 -6.525 3.123 -7.753 1.00 0.42 H new ATOM 0 HG2 GLN A 45 -5.719 0.658 -8.031 1.00 0.44 H new ATOM 0 HG3 GLN A 45 -6.564 0.325 -6.532 1.00 0.44 H new ATOM 0 HE21 GLN A 45 -6.960 0.567 -9.932 1.00 0.88 H new ATOM 0 HE22 GLN A 45 -8.725 0.635 -9.965 1.00 0.88 H new ATOM 735 N LYS A 46 -4.325 4.858 -5.647 1.00 0.35 N ATOM 736 CA LYS A 46 -4.260 5.921 -4.596 1.00 0.38 C ATOM 737 C LYS A 46 -5.430 6.899 -4.782 1.00 0.41 C ATOM 738 O LYS A 46 -5.365 7.817 -5.581 1.00 0.49 O ATOM 739 CB LYS A 46 -2.927 6.675 -4.705 1.00 0.47 C ATOM 740 CG LYS A 46 -2.435 7.062 -3.306 1.00 0.61 C ATOM 741 CD LYS A 46 -2.237 8.580 -3.229 1.00 0.85 C ATOM 742 CE LYS A 46 -2.724 9.093 -1.870 1.00 1.10 C ATOM 743 NZ LYS A 46 -3.621 10.266 -2.070 1.00 1.65 N ATOM 0 H LYS A 46 -3.982 5.138 -6.566 1.00 0.35 H new ATOM 0 HA LYS A 46 -4.330 5.461 -3.610 1.00 0.38 H new ATOM 0 HB2 LYS A 46 -2.185 6.050 -5.202 1.00 0.47 H new ATOM 0 HB3 LYS A 46 -3.053 7.568 -5.317 1.00 0.47 H new ATOM 0 HG2 LYS A 46 -3.157 6.741 -2.555 1.00 0.61 H new ATOM 0 HG3 LYS A 46 -1.497 6.552 -3.086 1.00 0.61 H new ATOM 0 HD2 LYS A 46 -1.184 8.827 -3.366 1.00 0.85 H new ATOM 0 HD3 LYS A 46 -2.787 9.070 -4.032 1.00 0.85 H new ATOM 0 HE2 LYS A 46 -3.256 8.302 -1.341 1.00 1.10 H new ATOM 0 HE3 LYS A 46 -1.873 9.375 -1.250 1.00 1.10 H new ATOM 0 HZ1 LYS A 46 -3.950 10.613 -1.146 1.00 1.65 H new ATOM 0 HZ2 LYS A 46 -3.100 11.022 -2.558 1.00 1.65 H new ATOM 0 HZ3 LYS A 46 -4.440 9.983 -2.646 1.00 1.65 H new ATOM 757 N GLY A 47 -6.501 6.703 -4.044 1.00 0.52 N ATOM 758 CA GLY A 47 -7.687 7.609 -4.158 1.00 0.61 C ATOM 759 C GLY A 47 -8.455 7.302 -5.448 1.00 0.60 C ATOM 760 O GLY A 47 -9.376 6.507 -5.454 1.00 0.68 O ATOM 0 H GLY A 47 -6.602 5.949 -3.364 1.00 0.52 H new ATOM 0 HA2 GLY A 47 -8.340 7.478 -3.295 1.00 0.61 H new ATOM 0 HA3 GLY A 47 -7.362 8.650 -4.156 1.00 0.61 H new ATOM 764 N GLY A 48 -8.079 7.931 -6.537 1.00 0.62 N ATOM 765 CA GLY A 48 -8.774 7.687 -7.838 1.00 0.68 C ATOM 766 C GLY A 48 -7.738 7.607 -8.961 1.00 0.66 C ATOM 767 O GLY A 48 -7.873 8.253 -9.985 1.00 0.80 O ATOM 0 H GLY A 48 -7.316 8.606 -6.579 1.00 0.62 H new ATOM 0 HA2 GLY A 48 -9.346 6.760 -7.789 1.00 0.68 H new ATOM 0 HA3 GLY A 48 -9.484 8.489 -8.040 1.00 0.68 H new ATOM 771 N SER A 49 -6.701 6.821 -8.772 1.00 0.56 N ATOM 772 CA SER A 49 -5.641 6.692 -9.820 1.00 0.56 C ATOM 773 C SER A 49 -4.948 5.330 -9.692 1.00 0.49 C ATOM 774 O SER A 49 -4.663 4.868 -8.600 1.00 0.52 O ATOM 775 CB SER A 49 -4.605 7.810 -9.643 1.00 0.60 C ATOM 776 OG SER A 49 -4.063 7.755 -8.328 1.00 0.58 O ATOM 0 H SER A 49 -6.545 6.262 -7.933 1.00 0.56 H new ATOM 0 HA SER A 49 -6.100 6.772 -10.806 1.00 0.56 H new ATOM 0 HB2 SER A 49 -3.809 7.702 -10.380 1.00 0.60 H new ATOM 0 HB3 SER A 49 -5.070 8.781 -9.815 1.00 0.60 H new ATOM 0 HG SER A 49 -4.769 7.945 -7.675 1.00 0.58 H new ATOM 782 N VAL A 50 -4.670 4.689 -10.803 1.00 0.48 N ATOM 783 CA VAL A 50 -3.986 3.358 -10.759 1.00 0.45 C ATOM 784 C VAL A 50 -2.482 3.577 -10.554 1.00 0.38 C ATOM 785 O VAL A 50 -1.859 4.364 -11.247 1.00 0.48 O ATOM 786 CB VAL A 50 -4.227 2.605 -12.074 1.00 0.55 C ATOM 787 CG1 VAL A 50 -3.590 1.214 -11.995 1.00 0.63 C ATOM 788 CG2 VAL A 50 -5.734 2.456 -12.312 1.00 0.68 C ATOM 0 H VAL A 50 -4.888 5.031 -11.739 1.00 0.48 H new ATOM 0 HA VAL A 50 -4.387 2.766 -9.936 1.00 0.45 H new ATOM 0 HB VAL A 50 -3.780 3.166 -12.895 1.00 0.55 H new ATOM 0 HG11 VAL A 50 -3.763 0.681 -12.930 1.00 0.63 H new ATOM 0 HG12 VAL A 50 -2.518 1.314 -11.827 1.00 0.63 H new ATOM 0 HG13 VAL A 50 -4.036 0.656 -11.172 1.00 0.63 H new ATOM 0 HG21 VAL A 50 -5.904 1.921 -13.246 1.00 0.68 H new ATOM 0 HG22 VAL A 50 -6.179 1.898 -11.488 1.00 0.68 H new ATOM 0 HG23 VAL A 50 -6.192 3.443 -12.371 1.00 0.68 H new ATOM 798 N LEU A 51 -1.900 2.888 -9.604 1.00 0.35 N ATOM 799 CA LEU A 51 -0.438 3.048 -9.335 1.00 0.32 C ATOM 800 C LEU A 51 0.361 2.119 -10.254 1.00 0.31 C ATOM 801 O LEU A 51 0.117 0.925 -10.310 1.00 0.46 O ATOM 802 CB LEU A 51 -0.139 2.705 -7.870 1.00 0.35 C ATOM 803 CG LEU A 51 -1.061 3.504 -6.941 1.00 0.39 C ATOM 804 CD1 LEU A 51 -0.689 3.216 -5.485 1.00 0.49 C ATOM 805 CD2 LEU A 51 -0.907 5.003 -7.217 1.00 0.45 C ATOM 0 H LEU A 51 -2.377 2.218 -9.000 1.00 0.35 H new ATOM 0 HA LEU A 51 -0.150 4.081 -9.528 1.00 0.32 H new ATOM 0 HB2 LEU A 51 -0.279 1.637 -7.703 1.00 0.35 H new ATOM 0 HB3 LEU A 51 0.903 2.929 -7.642 1.00 0.35 H new ATOM 0 HG LEU A 51 -2.095 3.209 -7.122 1.00 0.39 H new ATOM 0 HD11 LEU A 51 -1.343 3.783 -4.823 1.00 0.49 H new ATOM 0 HD12 LEU A 51 -0.804 2.151 -5.284 1.00 0.49 H new ATOM 0 HD13 LEU A 51 0.346 3.508 -5.309 1.00 0.49 H new ATOM 0 HD21 LEU A 51 -1.565 5.565 -6.554 1.00 0.45 H new ATOM 0 HD22 LEU A 51 0.127 5.301 -7.041 1.00 0.45 H new ATOM 0 HD23 LEU A 51 -1.173 5.211 -8.253 1.00 0.45 H new ATOM 817 N LYS A 52 1.315 2.664 -10.970 1.00 0.29 N ATOM 818 CA LYS A 52 2.145 1.831 -11.891 1.00 0.31 C ATOM 819 C LYS A 52 3.604 1.841 -11.421 1.00 0.28 C ATOM 820 O LYS A 52 4.102 2.840 -10.931 1.00 0.29 O ATOM 821 CB LYS A 52 2.061 2.399 -13.312 1.00 0.36 C ATOM 822 CG LYS A 52 2.242 1.268 -14.327 1.00 0.58 C ATOM 823 CD LYS A 52 0.956 0.448 -14.418 1.00 0.84 C ATOM 824 CE LYS A 52 1.214 -0.966 -13.884 1.00 1.19 C ATOM 825 NZ LYS A 52 -0.086 -1.629 -13.570 1.00 1.93 N ATOM 0 H LYS A 52 1.554 3.655 -10.955 1.00 0.29 H new ATOM 0 HA LYS A 52 1.771 0.807 -11.887 1.00 0.31 H new ATOM 0 HB2 LYS A 52 1.098 2.887 -13.463 1.00 0.36 H new ATOM 0 HB3 LYS A 52 2.829 3.158 -13.457 1.00 0.36 H new ATOM 0 HG2 LYS A 52 2.492 1.680 -15.305 1.00 0.58 H new ATOM 0 HG3 LYS A 52 3.073 0.628 -14.029 1.00 0.58 H new ATOM 0 HD2 LYS A 52 0.165 0.927 -13.842 1.00 0.84 H new ATOM 0 HD3 LYS A 52 0.614 0.401 -15.452 1.00 0.84 H new ATOM 0 HE2 LYS A 52 1.762 -1.550 -14.623 1.00 1.19 H new ATOM 0 HE3 LYS A 52 1.835 -0.920 -12.990 1.00 1.19 H new ATOM 0 HZ1 LYS A 52 0.092 -2.588 -13.208 1.00 1.93 H new ATOM 0 HZ2 LYS A 52 -0.593 -1.076 -12.850 1.00 1.93 H new ATOM 0 HZ3 LYS A 52 -0.664 -1.686 -14.433 1.00 1.93 H new ATOM 839 N ASP A 53 4.287 0.730 -11.574 1.00 0.32 N ATOM 840 CA ASP A 53 5.722 0.641 -11.148 1.00 0.35 C ATOM 841 C ASP A 53 6.564 1.709 -11.869 1.00 0.36 C ATOM 842 O ASP A 53 7.588 2.136 -11.367 1.00 0.42 O ATOM 843 CB ASP A 53 6.267 -0.754 -11.486 1.00 0.44 C ATOM 844 CG ASP A 53 6.192 -0.997 -13.001 1.00 0.53 C ATOM 845 OD1 ASP A 53 5.141 -1.407 -13.468 1.00 0.65 O ATOM 846 OD2 ASP A 53 7.190 -0.768 -13.669 1.00 0.66 O ATOM 0 H ASP A 53 3.908 -0.126 -11.979 1.00 0.32 H new ATOM 0 HA ASP A 53 5.783 0.813 -10.073 1.00 0.35 H new ATOM 0 HB2 ASP A 53 7.299 -0.842 -11.146 1.00 0.44 H new ATOM 0 HB3 ASP A 53 5.692 -1.515 -10.959 1.00 0.44 H new ATOM 851 N HIS A 54 6.142 2.134 -13.040 1.00 0.38 N ATOM 852 CA HIS A 54 6.909 3.168 -13.804 1.00 0.44 C ATOM 853 C HIS A 54 6.868 4.526 -13.079 1.00 0.43 C ATOM 854 O HIS A 54 7.668 5.401 -13.359 1.00 0.55 O ATOM 855 CB HIS A 54 6.298 3.320 -15.202 1.00 0.49 C ATOM 856 CG HIS A 54 6.521 2.056 -15.988 1.00 0.57 C ATOM 857 ND1 HIS A 54 5.556 1.063 -16.079 1.00 0.71 N ATOM 858 CD2 HIS A 54 7.592 1.607 -16.720 1.00 0.73 C ATOM 859 CE1 HIS A 54 6.062 0.076 -16.841 1.00 0.81 C ATOM 860 NE2 HIS A 54 7.300 0.357 -17.258 1.00 0.82 N ATOM 0 H HIS A 54 5.293 1.805 -13.500 1.00 0.38 H new ATOM 0 HA HIS A 54 7.948 2.846 -13.881 1.00 0.44 H new ATOM 0 HB2 HIS A 54 5.231 3.528 -15.123 1.00 0.49 H new ATOM 0 HB3 HIS A 54 6.751 4.166 -15.718 1.00 0.49 H new ATOM 0 HD2 HIS A 54 8.520 2.142 -16.857 1.00 0.73 H new ATOM 0 HE1 HIS A 54 5.532 -0.833 -17.086 1.00 0.81 H new ATOM 0 HE2 HIS A 54 7.902 -0.221 -17.845 1.00 0.82 H new ATOM 868 N ILE A 55 5.952 4.709 -12.151 1.00 0.34 N ATOM 869 CA ILE A 55 5.869 6.008 -11.411 1.00 0.36 C ATOM 870 C ILE A 55 6.324 5.796 -9.960 1.00 0.33 C ATOM 871 O ILE A 55 6.179 4.720 -9.406 1.00 0.35 O ATOM 872 CB ILE A 55 4.422 6.524 -11.438 1.00 0.37 C ATOM 873 CG1 ILE A 55 3.991 6.768 -12.889 1.00 0.44 C ATOM 874 CG2 ILE A 55 4.326 7.839 -10.659 1.00 0.43 C ATOM 875 CD1 ILE A 55 3.222 5.554 -13.411 1.00 0.49 C ATOM 0 H ILE A 55 5.259 4.012 -11.877 1.00 0.34 H new ATOM 0 HA ILE A 55 6.517 6.744 -11.887 1.00 0.36 H new ATOM 0 HB ILE A 55 3.770 5.780 -10.980 1.00 0.37 H new ATOM 0 HG12 ILE A 55 3.366 7.659 -12.948 1.00 0.44 H new ATOM 0 HG13 ILE A 55 4.866 6.951 -13.512 1.00 0.44 H new ATOM 0 HG21 ILE A 55 3.298 8.201 -10.681 1.00 0.43 H new ATOM 0 HG22 ILE A 55 4.630 7.673 -9.626 1.00 0.43 H new ATOM 0 HG23 ILE A 55 4.982 8.581 -11.115 1.00 0.43 H new ATOM 0 HD11 ILE A 55 2.918 5.732 -14.442 1.00 0.49 H new ATOM 0 HD12 ILE A 55 3.861 4.672 -13.368 1.00 0.49 H new ATOM 0 HD13 ILE A 55 2.338 5.391 -12.795 1.00 0.49 H new ATOM 887 N SER A 56 6.880 6.816 -9.346 1.00 0.37 N ATOM 888 CA SER A 56 7.358 6.684 -7.934 1.00 0.38 C ATOM 889 C SER A 56 6.223 7.017 -6.954 1.00 0.35 C ATOM 890 O SER A 56 5.274 7.703 -7.295 1.00 0.39 O ATOM 891 CB SER A 56 8.530 7.640 -7.701 1.00 0.47 C ATOM 892 OG SER A 56 9.478 7.021 -6.843 1.00 0.72 O ATOM 0 H SER A 56 7.023 7.735 -9.765 1.00 0.37 H new ATOM 0 HA SER A 56 7.681 5.657 -7.765 1.00 0.38 H new ATOM 0 HB2 SER A 56 8.997 7.899 -8.651 1.00 0.47 H new ATOM 0 HB3 SER A 56 8.173 8.569 -7.257 1.00 0.47 H new ATOM 0 HG SER A 56 9.015 6.414 -6.229 1.00 0.72 H new ATOM 898 N LEU A 57 6.325 6.537 -5.733 1.00 0.33 N ATOM 899 CA LEU A 57 5.266 6.816 -4.708 1.00 0.35 C ATOM 900 C LEU A 57 5.176 8.326 -4.456 1.00 0.41 C ATOM 901 O LEU A 57 4.102 8.865 -4.261 1.00 0.48 O ATOM 902 CB LEU A 57 5.614 6.103 -3.394 1.00 0.35 C ATOM 903 CG LEU A 57 5.405 4.592 -3.546 1.00 0.35 C ATOM 904 CD1 LEU A 57 6.183 3.857 -2.451 1.00 0.44 C ATOM 905 CD2 LEU A 57 3.913 4.266 -3.417 1.00 0.58 C ATOM 0 H LEU A 57 7.100 5.962 -5.403 1.00 0.33 H new ATOM 0 HA LEU A 57 4.308 6.450 -5.077 1.00 0.35 H new ATOM 0 HB2 LEU A 57 6.649 6.310 -3.122 1.00 0.35 H new ATOM 0 HB3 LEU A 57 4.989 6.485 -2.587 1.00 0.35 H new ATOM 0 HG LEU A 57 5.763 4.273 -4.525 1.00 0.35 H new ATOM 0 HD11 LEU A 57 6.035 2.782 -2.558 1.00 0.44 H new ATOM 0 HD12 LEU A 57 7.244 4.088 -2.541 1.00 0.44 H new ATOM 0 HD13 LEU A 57 5.824 4.177 -1.473 1.00 0.44 H new ATOM 0 HD21 LEU A 57 3.765 3.192 -3.525 1.00 0.58 H new ATOM 0 HD22 LEU A 57 3.554 4.585 -2.439 1.00 0.58 H new ATOM 0 HD23 LEU A 57 3.358 4.789 -4.196 1.00 0.58 H new ATOM 917 N GLU A 58 6.302 9.009 -4.461 1.00 0.43 N ATOM 918 CA GLU A 58 6.303 10.489 -4.228 1.00 0.52 C ATOM 919 C GLU A 58 5.489 11.196 -5.323 1.00 0.52 C ATOM 920 O GLU A 58 4.877 12.221 -5.079 1.00 0.60 O ATOM 921 CB GLU A 58 7.747 11.013 -4.234 1.00 0.60 C ATOM 922 CG GLU A 58 8.418 10.693 -5.577 1.00 0.62 C ATOM 923 CD GLU A 58 9.923 10.961 -5.480 1.00 1.28 C ATOM 924 OE1 GLU A 58 10.647 10.046 -5.122 1.00 1.90 O ATOM 925 OE2 GLU A 58 10.328 12.075 -5.772 1.00 1.97 O ATOM 0 H GLU A 58 7.223 8.600 -4.618 1.00 0.43 H new ATOM 0 HA GLU A 58 5.848 10.696 -3.259 1.00 0.52 H new ATOM 0 HB2 GLU A 58 7.752 12.090 -4.063 1.00 0.60 H new ATOM 0 HB3 GLU A 58 8.311 10.558 -3.419 1.00 0.60 H new ATOM 0 HG2 GLU A 58 8.241 9.651 -5.844 1.00 0.62 H new ATOM 0 HG3 GLU A 58 7.981 11.303 -6.367 1.00 0.62 H new ATOM 932 N ASP A 59 5.473 10.652 -6.523 1.00 0.47 N ATOM 933 CA ASP A 59 4.693 11.284 -7.634 1.00 0.50 C ATOM 934 C ASP A 59 3.195 11.179 -7.325 1.00 0.47 C ATOM 935 O ASP A 59 2.455 12.134 -7.482 1.00 0.53 O ATOM 936 CB ASP A 59 4.995 10.560 -8.952 1.00 0.54 C ATOM 937 CG ASP A 59 6.424 10.883 -9.404 1.00 0.63 C ATOM 938 OD1 ASP A 59 7.325 10.155 -9.020 1.00 0.77 O ATOM 939 OD2 ASP A 59 6.592 11.850 -10.128 1.00 0.76 O ATOM 0 H ASP A 59 5.968 9.797 -6.777 1.00 0.47 H new ATOM 0 HA ASP A 59 4.975 12.333 -7.726 1.00 0.50 H new ATOM 0 HB2 ASP A 59 4.879 9.484 -8.822 1.00 0.54 H new ATOM 0 HB3 ASP A 59 4.283 10.867 -9.718 1.00 0.54 H new ATOM 944 N TYR A 60 2.750 10.026 -6.875 1.00 0.44 N ATOM 945 CA TYR A 60 1.302 9.844 -6.537 1.00 0.47 C ATOM 946 C TYR A 60 0.959 10.618 -5.252 1.00 0.53 C ATOM 947 O TYR A 60 -0.201 10.863 -4.967 1.00 0.62 O ATOM 948 CB TYR A 60 1.008 8.354 -6.332 1.00 0.49 C ATOM 949 CG TYR A 60 0.955 7.660 -7.673 1.00 0.43 C ATOM 950 CD1 TYR A 60 -0.071 7.959 -8.579 1.00 0.44 C ATOM 951 CD2 TYR A 60 1.932 6.716 -8.012 1.00 0.48 C ATOM 952 CE1 TYR A 60 -0.119 7.317 -9.820 1.00 0.47 C ATOM 953 CE2 TYR A 60 1.883 6.072 -9.253 1.00 0.50 C ATOM 954 CZ TYR A 60 0.859 6.373 -10.158 1.00 0.48 C ATOM 955 OH TYR A 60 0.813 5.739 -11.382 1.00 0.57 O ATOM 0 H TYR A 60 3.332 9.201 -6.727 1.00 0.44 H new ATOM 0 HA TYR A 60 0.694 10.227 -7.356 1.00 0.47 H new ATOM 0 HB2 TYR A 60 1.779 7.903 -5.708 1.00 0.49 H new ATOM 0 HB3 TYR A 60 0.060 8.228 -5.808 1.00 0.49 H new ATOM 0 HD1 TYR A 60 -0.826 8.686 -8.318 1.00 0.44 H new ATOM 0 HD2 TYR A 60 2.724 6.485 -7.315 1.00 0.48 H new ATOM 0 HE1 TYR A 60 -0.910 7.549 -10.518 1.00 0.47 H new ATOM 0 HE2 TYR A 60 2.636 5.342 -9.513 1.00 0.50 H new ATOM 0 HH TYR A 60 -0.022 5.231 -11.456 1.00 0.57 H new ATOM 965 N GLU A 61 1.960 11.005 -4.482 1.00 0.52 N ATOM 966 CA GLU A 61 1.726 11.769 -3.215 1.00 0.62 C ATOM 967 C GLU A 61 1.214 10.826 -2.114 1.00 0.54 C ATOM 968 O GLU A 61 0.173 11.048 -1.518 1.00 0.70 O ATOM 969 CB GLU A 61 0.717 12.905 -3.464 1.00 0.81 C ATOM 970 CG GLU A 61 1.211 14.187 -2.789 1.00 1.01 C ATOM 971 CD GLU A 61 2.343 14.805 -3.617 1.00 1.18 C ATOM 972 OE1 GLU A 61 2.040 15.545 -4.541 1.00 1.49 O ATOM 973 OE2 GLU A 61 3.493 14.529 -3.314 1.00 1.19 O ATOM 0 H GLU A 61 2.942 10.818 -4.687 1.00 0.52 H new ATOM 0 HA GLU A 61 2.669 12.206 -2.885 1.00 0.62 H new ATOM 0 HB2 GLU A 61 0.596 13.069 -4.535 1.00 0.81 H new ATOM 0 HB3 GLU A 61 -0.261 12.629 -3.071 1.00 0.81 H new ATOM 0 HG2 GLU A 61 0.390 14.897 -2.691 1.00 1.01 H new ATOM 0 HG3 GLU A 61 1.563 13.966 -1.781 1.00 1.01 H new ATOM 980 N VAL A 62 1.958 9.782 -1.831 1.00 0.45 N ATOM 981 CA VAL A 62 1.546 8.822 -0.760 1.00 0.44 C ATOM 982 C VAL A 62 2.024 9.368 0.593 1.00 0.47 C ATOM 983 O VAL A 62 3.212 9.500 0.833 1.00 0.64 O ATOM 984 CB VAL A 62 2.180 7.450 -1.027 1.00 0.43 C ATOM 985 CG1 VAL A 62 1.744 6.456 0.054 1.00 0.50 C ATOM 986 CG2 VAL A 62 1.726 6.935 -2.398 1.00 0.49 C ATOM 0 H VAL A 62 2.836 9.554 -2.298 1.00 0.45 H new ATOM 0 HA VAL A 62 0.462 8.710 -0.751 1.00 0.44 H new ATOM 0 HB VAL A 62 3.265 7.549 -1.011 1.00 0.43 H new ATOM 0 HG11 VAL A 62 2.197 5.484 -0.141 1.00 0.50 H new ATOM 0 HG12 VAL A 62 2.066 6.817 1.031 1.00 0.50 H new ATOM 0 HG13 VAL A 62 0.658 6.359 0.042 1.00 0.50 H new ATOM 0 HG21 VAL A 62 2.176 5.961 -2.588 1.00 0.49 H new ATOM 0 HG22 VAL A 62 0.640 6.842 -2.410 1.00 0.49 H new ATOM 0 HG23 VAL A 62 2.039 7.636 -3.172 1.00 0.49 H new ATOM 996 N HIS A 63 1.104 9.700 1.469 1.00 0.46 N ATOM 997 CA HIS A 63 1.494 10.258 2.803 1.00 0.56 C ATOM 998 C HIS A 63 1.420 9.169 3.883 1.00 0.46 C ATOM 999 O HIS A 63 0.977 8.060 3.640 1.00 0.43 O ATOM 1000 CB HIS A 63 0.545 11.404 3.169 1.00 0.73 C ATOM 1001 CG HIS A 63 0.867 12.611 2.332 1.00 0.94 C ATOM 1002 ND1 HIS A 63 1.843 13.569 2.443 1.00 1.23 N flip ATOM 1003 CD2 HIS A 63 0.136 12.944 1.204 1.00 1.69 C flip ATOM 1004 CE1 HIS A 63 1.722 14.485 1.404 1.00 1.29 C flip ATOM 1005 NE2 HIS A 63 0.677 14.062 0.686 1.00 1.59 N flip ATOM 0 H HIS A 63 0.100 9.608 1.317 1.00 0.46 H new ATOM 0 HA HIS A 63 2.518 10.627 2.746 1.00 0.56 H new ATOM 0 HB2 HIS A 63 -0.489 11.100 3.005 1.00 0.73 H new ATOM 0 HB3 HIS A 63 0.642 11.646 4.227 1.00 0.73 H new ATOM 0 HD1 HIS A 63 2.550 13.604 3.177 1.00 1.23 H new ATOM 0 HD2 HIS A 63 -0.713 12.405 0.812 1.00 1.69 H new ATOM 0 HE1 HIS A 63 2.339 15.351 1.217 1.00 1.29 H new ATOM 1013 N ASP A 64 1.855 9.491 5.082 1.00 0.48 N ATOM 1014 CA ASP A 64 1.823 8.500 6.200 1.00 0.43 C ATOM 1015 C ASP A 64 0.371 8.217 6.601 1.00 0.41 C ATOM 1016 O ASP A 64 -0.450 9.116 6.672 1.00 0.47 O ATOM 1017 CB ASP A 64 2.589 9.060 7.405 1.00 0.48 C ATOM 1018 CG ASP A 64 3.081 7.908 8.287 1.00 0.47 C ATOM 1019 OD1 ASP A 64 2.326 7.476 9.143 1.00 0.55 O ATOM 1020 OD2 ASP A 64 4.207 7.480 8.094 1.00 0.67 O ATOM 0 H ASP A 64 2.233 10.405 5.331 1.00 0.48 H new ATOM 0 HA ASP A 64 2.292 7.573 5.871 1.00 0.43 H new ATOM 0 HB2 ASP A 64 3.435 9.657 7.064 1.00 0.48 H new ATOM 0 HB3 ASP A 64 1.944 9.722 7.982 1.00 0.48 H new ATOM 1025 N GLN A 65 0.058 6.968 6.860 1.00 0.41 N ATOM 1026 CA GLN A 65 -1.333 6.579 7.259 1.00 0.46 C ATOM 1027 C GLN A 65 -2.329 6.983 6.160 1.00 0.45 C ATOM 1028 O GLN A 65 -3.425 7.442 6.435 1.00 0.60 O ATOM 1029 CB GLN A 65 -1.699 7.257 8.588 1.00 0.56 C ATOM 1030 CG GLN A 65 -0.910 6.607 9.729 1.00 0.67 C ATOM 1031 CD GLN A 65 -1.527 5.249 10.076 1.00 0.77 C ATOM 1032 OE1 GLN A 65 -1.152 4.186 9.417 1.00 0.97 O flip ATOM 1033 NE2 GLN A 65 -2.358 5.154 10.957 1.00 0.77 N flip ATOM 0 H GLN A 65 0.717 6.191 6.811 1.00 0.41 H new ATOM 0 HA GLN A 65 -1.380 5.498 7.389 1.00 0.46 H new ATOM 0 HB2 GLN A 65 -1.475 8.323 8.538 1.00 0.56 H new ATOM 0 HB3 GLN A 65 -2.769 7.164 8.773 1.00 0.56 H new ATOM 0 HG2 GLN A 65 0.132 6.480 9.437 1.00 0.67 H new ATOM 0 HG3 GLN A 65 -0.918 7.255 10.605 1.00 0.67 H new ATOM 0 HE21 GLN A 65 -2.652 5.984 11.473 1.00 0.77 H new ATOM 0 HE22 GLN A 65 -2.762 4.245 11.181 1.00 0.77 H new ATOM 1042 N THR A 66 -1.955 6.800 4.914 1.00 0.36 N ATOM 1043 CA THR A 66 -2.872 7.155 3.787 1.00 0.38 C ATOM 1044 C THR A 66 -3.725 5.931 3.420 1.00 0.37 C ATOM 1045 O THR A 66 -3.363 4.801 3.704 1.00 0.39 O ATOM 1046 CB THR A 66 -2.044 7.611 2.572 1.00 0.41 C ATOM 1047 OG1 THR A 66 -2.904 8.200 1.607 1.00 0.50 O ATOM 1048 CG2 THR A 66 -1.315 6.418 1.943 1.00 0.38 C ATOM 0 H THR A 66 -1.052 6.419 4.631 1.00 0.36 H new ATOM 0 HA THR A 66 -3.530 7.970 4.090 1.00 0.38 H new ATOM 0 HB THR A 66 -1.305 8.341 2.904 1.00 0.41 H new ATOM 0 HG1 THR A 66 -2.377 8.492 0.834 1.00 0.50 H new ATOM 0 HG21 THR A 66 -0.734 6.758 1.085 1.00 0.38 H new ATOM 0 HG22 THR A 66 -0.647 5.970 2.679 1.00 0.38 H new ATOM 0 HG23 THR A 66 -2.044 5.677 1.617 1.00 0.38 H new ATOM 1056 N ASN A 67 -4.858 6.149 2.796 1.00 0.44 N ATOM 1057 CA ASN A 67 -5.742 5.006 2.414 1.00 0.45 C ATOM 1058 C ASN A 67 -5.505 4.642 0.945 1.00 0.40 C ATOM 1059 O ASN A 67 -5.531 5.492 0.070 1.00 0.58 O ATOM 1060 CB ASN A 67 -7.207 5.397 2.619 1.00 0.61 C ATOM 1061 CG ASN A 67 -7.717 4.803 3.935 1.00 0.82 C ATOM 1062 OD1 ASN A 67 -7.646 5.437 4.969 1.00 1.15 O ATOM 1063 ND2 ASN A 67 -8.234 3.604 3.939 1.00 1.12 N ATOM 0 H ASN A 67 -5.208 7.071 2.535 1.00 0.44 H new ATOM 0 HA ASN A 67 -5.510 4.145 3.040 1.00 0.45 H new ATOM 0 HB2 ASN A 67 -7.305 6.482 2.636 1.00 0.61 H new ATOM 0 HB3 ASN A 67 -7.811 5.035 1.787 1.00 0.61 H new ATOM 0 HD21 ASN A 67 -8.578 3.200 4.810 1.00 1.12 H new ATOM 0 HD22 ASN A 67 -8.294 3.071 3.071 1.00 1.12 H new ATOM 1070 N LEU A 68 -5.268 3.381 0.677 1.00 0.35 N ATOM 1071 CA LEU A 68 -5.016 2.928 -0.725 1.00 0.33 C ATOM 1072 C LEU A 68 -5.982 1.795 -1.092 1.00 0.33 C ATOM 1073 O LEU A 68 -6.575 1.165 -0.233 1.00 0.41 O ATOM 1074 CB LEU A 68 -3.575 2.418 -0.834 1.00 0.38 C ATOM 1075 CG LEU A 68 -2.640 3.576 -1.190 1.00 0.68 C ATOM 1076 CD1 LEU A 68 -1.332 3.432 -0.412 1.00 0.74 C ATOM 1077 CD2 LEU A 68 -2.343 3.546 -2.690 1.00 1.30 C ATOM 0 H LEU A 68 -5.238 2.640 1.377 1.00 0.35 H new ATOM 0 HA LEU A 68 -5.170 3.764 -1.407 1.00 0.33 H new ATOM 0 HB2 LEU A 68 -3.267 1.967 0.109 1.00 0.38 H new ATOM 0 HB3 LEU A 68 -3.512 1.640 -1.595 1.00 0.38 H new ATOM 0 HG LEU A 68 -3.117 4.521 -0.930 1.00 0.68 H new ATOM 0 HD11 LEU A 68 -0.665 4.256 -0.665 1.00 0.74 H new ATOM 0 HD12 LEU A 68 -1.541 3.450 0.658 1.00 0.74 H new ATOM 0 HD13 LEU A 68 -0.856 2.487 -0.673 1.00 0.74 H new ATOM 0 HD21 LEU A 68 -1.677 4.370 -2.946 1.00 1.30 H new ATOM 0 HD22 LEU A 68 -1.866 2.601 -2.948 1.00 1.30 H new ATOM 0 HD23 LEU A 68 -3.274 3.646 -3.247 1.00 1.30 H new ATOM 1089 N GLU A 69 -6.134 1.528 -2.367 1.00 0.32 N ATOM 1090 CA GLU A 69 -7.045 0.434 -2.813 1.00 0.33 C ATOM 1091 C GLU A 69 -6.204 -0.764 -3.269 1.00 0.32 C ATOM 1092 O GLU A 69 -5.119 -0.603 -3.801 1.00 0.38 O ATOM 1093 CB GLU A 69 -7.912 0.926 -3.977 1.00 0.38 C ATOM 1094 CG GLU A 69 -8.913 1.971 -3.469 1.00 0.41 C ATOM 1095 CD GLU A 69 -8.434 3.375 -3.852 1.00 0.52 C ATOM 1096 OE1 GLU A 69 -8.677 3.778 -4.978 1.00 0.64 O ATOM 1097 OE2 GLU A 69 -7.833 4.027 -3.011 1.00 0.67 O ATOM 0 H GLU A 69 -5.661 2.026 -3.121 1.00 0.32 H new ATOM 0 HA GLU A 69 -7.691 0.137 -1.987 1.00 0.33 H new ATOM 0 HB2 GLU A 69 -7.283 1.359 -4.755 1.00 0.38 H new ATOM 0 HB3 GLU A 69 -8.444 0.088 -4.427 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -9.898 1.783 -3.897 1.00 0.41 H new ATOM 0 HG3 GLU A 69 -9.016 1.894 -2.387 1.00 0.41 H new ATOM 1104 N LEU A 70 -6.693 -1.963 -3.059 1.00 0.34 N ATOM 1105 CA LEU A 70 -5.928 -3.176 -3.470 1.00 0.34 C ATOM 1106 C LEU A 70 -6.805 -4.054 -4.369 1.00 0.35 C ATOM 1107 O LEU A 70 -7.930 -4.375 -4.034 1.00 0.43 O ATOM 1108 CB LEU A 70 -5.510 -3.962 -2.218 1.00 0.40 C ATOM 1109 CG LEU A 70 -4.753 -5.234 -2.620 1.00 0.40 C ATOM 1110 CD1 LEU A 70 -3.540 -4.869 -3.482 1.00 0.43 C ATOM 1111 CD2 LEU A 70 -4.277 -5.962 -1.359 1.00 0.51 C ATOM 0 H LEU A 70 -7.593 -2.151 -2.618 1.00 0.34 H new ATOM 0 HA LEU A 70 -5.037 -2.878 -4.022 1.00 0.34 H new ATOM 0 HB2 LEU A 70 -4.879 -3.340 -1.583 1.00 0.40 H new ATOM 0 HB3 LEU A 70 -6.392 -4.224 -1.633 1.00 0.40 H new ATOM 0 HG LEU A 70 -5.418 -5.881 -3.191 1.00 0.40 H new ATOM 0 HD11 LEU A 70 -3.007 -5.777 -3.764 1.00 0.43 H new ATOM 0 HD12 LEU A 70 -3.875 -4.351 -4.381 1.00 0.43 H new ATOM 0 HD13 LEU A 70 -2.874 -4.218 -2.916 1.00 0.43 H new ATOM 0 HD21 LEU A 70 -3.739 -6.866 -1.642 1.00 0.51 H new ATOM 0 HD22 LEU A 70 -3.615 -5.309 -0.790 1.00 0.51 H new ATOM 0 HD23 LEU A 70 -5.138 -6.229 -0.746 1.00 0.51 H new ATOM 1123 N TYR A 71 -6.291 -4.438 -5.512 1.00 0.35 N ATOM 1124 CA TYR A 71 -7.075 -5.295 -6.452 1.00 0.40 C ATOM 1125 C TYR A 71 -6.180 -6.417 -6.989 1.00 0.43 C ATOM 1126 O TYR A 71 -4.978 -6.259 -7.105 1.00 0.52 O ATOM 1127 CB TYR A 71 -7.577 -4.441 -7.619 1.00 0.42 C ATOM 1128 CG TYR A 71 -8.828 -3.704 -7.210 1.00 0.45 C ATOM 1129 CD1 TYR A 71 -10.070 -4.348 -7.268 1.00 0.76 C ATOM 1130 CD2 TYR A 71 -8.746 -2.377 -6.773 1.00 0.63 C ATOM 1131 CE1 TYR A 71 -11.230 -3.663 -6.891 1.00 0.95 C ATOM 1132 CE2 TYR A 71 -9.906 -1.693 -6.397 1.00 0.80 C ATOM 1133 CZ TYR A 71 -11.149 -2.335 -6.454 1.00 0.88 C ATOM 1134 OH TYR A 71 -12.292 -1.658 -6.085 1.00 1.14 O ATOM 0 H TYR A 71 -5.355 -4.192 -5.835 1.00 0.35 H new ATOM 0 HA TYR A 71 -7.925 -5.730 -5.926 1.00 0.40 H new ATOM 0 HB2 TYR A 71 -6.807 -3.731 -7.920 1.00 0.42 H new ATOM 0 HB3 TYR A 71 -7.782 -5.073 -8.483 1.00 0.42 H new ATOM 0 HD1 TYR A 71 -10.132 -5.373 -7.604 1.00 0.76 H new ATOM 0 HD2 TYR A 71 -7.787 -1.882 -6.726 1.00 0.63 H new ATOM 0 HE1 TYR A 71 -12.188 -4.159 -6.937 1.00 0.95 H new ATOM 0 HE2 TYR A 71 -9.843 -0.668 -6.062 1.00 0.80 H new ATOM 0 HH TYR A 71 -12.058 -0.748 -5.806 1.00 1.14 H new ATOM 1144 N TYR A 72 -6.757 -7.548 -7.317 1.00 0.52 N ATOM 1145 CA TYR A 72 -5.944 -8.684 -7.847 1.00 0.59 C ATOM 1146 C TYR A 72 -6.239 -8.874 -9.338 1.00 0.64 C ATOM 1147 O TYR A 72 -7.374 -9.086 -9.731 1.00 0.69 O ATOM 1148 CB TYR A 72 -6.285 -9.967 -7.078 1.00 0.69 C ATOM 1149 CG TYR A 72 -6.008 -9.768 -5.604 1.00 0.56 C ATOM 1150 CD1 TYR A 72 -4.758 -9.296 -5.179 1.00 0.58 C ATOM 1151 CD2 TYR A 72 -7.003 -10.057 -4.660 1.00 0.67 C ATOM 1152 CE1 TYR A 72 -4.506 -9.113 -3.814 1.00 0.62 C ATOM 1153 CE2 TYR A 72 -6.748 -9.873 -3.297 1.00 0.69 C ATOM 1154 CZ TYR A 72 -5.501 -9.402 -2.873 1.00 0.62 C ATOM 1155 OH TYR A 72 -5.250 -9.222 -1.529 1.00 0.78 O ATOM 0 H TYR A 72 -7.757 -7.732 -7.240 1.00 0.52 H new ATOM 0 HA TYR A 72 -4.885 -8.463 -7.717 1.00 0.59 H new ATOM 0 HB2 TYR A 72 -7.333 -10.225 -7.229 1.00 0.69 H new ATOM 0 HB3 TYR A 72 -5.694 -10.799 -7.460 1.00 0.69 H new ATOM 0 HD1 TYR A 72 -3.990 -9.074 -5.905 1.00 0.58 H new ATOM 0 HD2 TYR A 72 -7.966 -10.422 -4.985 1.00 0.67 H new ATOM 0 HE1 TYR A 72 -3.543 -8.749 -3.487 1.00 0.62 H new ATOM 0 HE2 TYR A 72 -7.516 -10.095 -2.570 1.00 0.69 H new ATOM 0 HH TYR A 72 -6.045 -9.468 -1.012 1.00 0.78 H new ATOM 1165 N LEU A 73 -5.215 -8.793 -10.164 1.00 0.78 N ATOM 1166 CA LEU A 73 -5.382 -8.956 -11.647 1.00 0.88 C ATOM 1167 C LEU A 73 -6.033 -7.697 -12.243 1.00 1.01 C ATOM 1168 O LEU A 73 -5.369 -7.027 -13.018 1.00 1.39 O ATOM 1169 CB LEU A 73 -6.241 -10.193 -11.957 1.00 0.87 C ATOM 1170 CG LEU A 73 -5.523 -11.066 -12.991 1.00 1.54 C ATOM 1171 CD1 LEU A 73 -4.826 -12.230 -12.284 1.00 2.12 C ATOM 1172 CD2 LEU A 73 -6.538 -11.618 -13.991 1.00 1.74 C ATOM 1173 OXT LEU A 73 -7.179 -7.418 -11.919 1.00 1.07 O ATOM 0 H LEU A 73 -4.256 -8.618 -9.865 1.00 0.78 H new ATOM 0 HA LEU A 73 -4.399 -9.095 -12.097 1.00 0.88 H new ATOM 0 HB2 LEU A 73 -6.420 -10.763 -11.045 1.00 0.87 H new ATOM 0 HB3 LEU A 73 -7.215 -9.887 -12.338 1.00 0.87 H new ATOM 0 HG LEU A 73 -4.783 -10.463 -13.518 1.00 1.54 H new ATOM 0 HD11 LEU A 73 -4.316 -12.850 -13.021 1.00 2.12 H new ATOM 0 HD12 LEU A 73 -4.099 -11.840 -11.572 1.00 2.12 H new ATOM 0 HD13 LEU A 73 -5.566 -12.830 -11.755 1.00 2.12 H new ATOM 0 HD21 LEU A 73 -6.025 -12.239 -14.725 1.00 1.74 H new ATOM 0 HD22 LEU A 73 -7.279 -12.218 -13.463 1.00 1.74 H new ATOM 0 HD23 LEU A 73 -7.035 -10.791 -14.499 1.00 1.74 H new