USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 456 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 171:sc= 0 (180deg=-0.132) USER MOD Single : A 1 MET N :NH3+ 130:sc= 0.0387 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -25:sc= 0.364 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= 1.24 (180deg=0.917) USER MOD Single : A 12 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.67) USER MOD Single : A 14 SER OG : rot 180:sc=-0.00246 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0054 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0543 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00255 USER MOD Single : A 19 SER OG : rot -47:sc= 1.15 USER MOD Single : A 20 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.56) USER MOD Single : A 23 ASN : amide:sc= -1.04 K(o=-1,f=-16!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -170:sc= -0.605 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0.43) USER MOD Single : A 41 LYS NZ :NH3+ -166:sc= -0.219 (180deg=-0.559) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 45 TYR OH : rot 100:sc=-0.000669 USER MOD Single : A 46 SER OG : rot -146:sc= 0.763 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0315 USER MOD Single : A 53 SER OG : rot 36:sc= 0.507 USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.157) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.738 18.781 -2.077 1.00 0.00 N ATOM 2 CA MET A 1 -2.470 18.528 -1.371 1.00 0.00 C ATOM 3 C MET A 1 -1.343 19.308 -2.040 1.00 0.00 C ATOM 4 O MET A 1 -1.321 19.430 -3.262 1.00 0.00 O ATOM 5 CB MET A 1 -2.160 17.026 -1.367 1.00 0.00 C ATOM 6 CG MET A 1 -0.904 16.749 -0.532 1.00 0.00 C ATOM 7 SD MET A 1 -0.623 14.992 -0.184 1.00 0.00 S ATOM 8 CE MET A 1 -0.344 14.395 -1.871 1.00 0.00 C ATOM 0 H1 MET A 1 -4.201 17.875 -2.294 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.363 19.354 -1.474 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.546 19.292 -2.962 1.00 0.00 H new ATOM 0 HA MET A 1 -2.561 18.862 -0.338 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.006 16.473 -0.959 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.012 16.675 -2.388 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.036 17.148 -1.057 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.982 17.288 0.412 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.003 13.362 -1.839 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.276 14.448 -2.434 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.409 15.016 -2.357 1.00 0.00 H new ATOM 20 N ALA A 2 -0.413 19.834 -1.234 1.00 0.00 N ATOM 21 CA ALA A 2 0.715 20.601 -1.741 1.00 0.00 C ATOM 22 C ALA A 2 1.847 20.566 -0.715 1.00 0.00 C ATOM 23 O ALA A 2 1.617 20.210 0.444 1.00 0.00 O ATOM 24 CB ALA A 2 0.264 22.035 -2.020 1.00 0.00 C ATOM 0 H ALA A 2 -0.427 19.737 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 2 1.081 20.169 -2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.106 22.614 -2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.535 22.027 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.101 22.488 -1.098 1.00 0.00 H new ATOM 30 N THR A 3 3.072 20.928 -1.135 1.00 0.00 N ATOM 31 CA THR A 3 4.237 20.892 -0.247 1.00 0.00 C ATOM 32 C THR A 3 5.343 21.827 -0.756 1.00 0.00 C ATOM 33 O THR A 3 5.689 22.796 -0.083 1.00 0.00 O ATOM 34 CB THR A 3 4.767 19.448 -0.143 1.00 0.00 C ATOM 35 OG1 THR A 3 3.715 18.564 0.179 1.00 0.00 O ATOM 36 CG2 THR A 3 5.836 19.368 0.951 1.00 0.00 C ATOM 0 H THR A 3 3.276 21.247 -2.082 1.00 0.00 H new ATOM 0 HA THR A 3 3.931 21.236 0.741 1.00 0.00 H new ATOM 0 HB THR A 3 5.197 19.165 -1.104 1.00 0.00 H new ATOM 0 HG1 THR A 3 3.008 19.054 0.648 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.208 18.346 1.022 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.660 20.038 0.705 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.402 19.663 1.906 1.00 0.00 H new ATOM 44 N ILE A 4 5.911 21.524 -1.937 1.00 0.00 N ATOM 45 CA ILE A 4 7.014 22.312 -2.498 1.00 0.00 C ATOM 46 C ILE A 4 6.995 22.222 -4.035 1.00 0.00 C ATOM 47 O ILE A 4 7.219 23.216 -4.725 1.00 0.00 O ATOM 48 CB ILE A 4 8.352 21.809 -1.888 1.00 0.00 C ATOM 49 CG1 ILE A 4 9.314 22.990 -1.631 1.00 0.00 C ATOM 50 CG2 ILE A 4 9.027 20.763 -2.790 1.00 0.00 C ATOM 51 CD1 ILE A 4 9.498 23.858 -2.882 1.00 0.00 C ATOM 0 H ILE A 4 5.621 20.738 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 4 6.903 23.366 -2.242 1.00 0.00 H new ATOM 0 HB ILE A 4 8.117 21.332 -0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.927 23.603 -0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 4 10.282 22.607 -1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.960 20.434 -2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.363 19.908 -2.915 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.238 21.204 -3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.182 24.677 -2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.910 23.251 -3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.534 24.263 -3.189 1.00 0.00 H new ATOM 63 N LYS A 5 6.723 21.023 -4.561 1.00 0.00 N ATOM 64 CA LYS A 5 6.692 20.779 -5.995 1.00 0.00 C ATOM 65 C LYS A 5 5.719 21.730 -6.694 1.00 0.00 C ATOM 66 O LYS A 5 6.001 22.208 -7.793 1.00 0.00 O ATOM 67 CB LYS A 5 6.280 19.317 -6.221 1.00 0.00 C ATOM 68 CG LYS A 5 5.945 19.080 -7.698 1.00 0.00 C ATOM 69 CD LYS A 5 5.607 17.600 -7.931 1.00 0.00 C ATOM 70 CE LYS A 5 6.886 16.753 -7.938 1.00 0.00 C ATOM 71 NZ LYS A 5 6.583 15.343 -8.241 1.00 0.00 N ATOM 0 H LYS A 5 6.519 20.197 -3.998 1.00 0.00 H new ATOM 0 HA LYS A 5 7.679 20.961 -6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.088 18.653 -5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.416 19.076 -5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.102 19.705 -7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.790 19.371 -8.322 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.934 17.247 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.082 17.485 -8.880 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.583 17.146 -8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.378 16.823 -6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.464 14.791 -8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.936 14.964 -7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.135 15.278 -9.177 1.00 0.00 H new ATOM 85 N ASP A 6 4.573 21.983 -6.061 1.00 0.00 N ATOM 86 CA ASP A 6 3.520 22.812 -6.632 1.00 0.00 C ATOM 87 C ASP A 6 4.067 24.160 -7.110 1.00 0.00 C ATOM 88 O ASP A 6 4.041 24.453 -8.305 1.00 0.00 O ATOM 89 CB ASP A 6 2.419 23.017 -5.580 1.00 0.00 C ATOM 90 CG ASP A 6 2.138 21.725 -4.822 1.00 0.00 C ATOM 91 OD1 ASP A 6 2.951 21.408 -3.917 1.00 0.00 O ATOM 92 OD2 ASP A 6 1.125 21.077 -5.158 1.00 0.00 O ATOM 0 H ASP A 6 4.352 21.616 -5.135 1.00 0.00 H new ATOM 0 HA ASP A 6 3.106 22.305 -7.503 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.721 23.795 -4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.507 23.363 -6.066 1.00 0.00 H new ATOM 97 N VAL A 7 4.551 24.981 -6.176 1.00 0.00 N ATOM 98 CA VAL A 7 5.044 26.314 -6.499 1.00 0.00 C ATOM 99 C VAL A 7 6.340 26.229 -7.297 1.00 0.00 C ATOM 100 O VAL A 7 6.604 27.088 -8.125 1.00 0.00 O ATOM 101 CB VAL A 7 5.248 27.116 -5.209 1.00 0.00 C ATOM 102 CG1 VAL A 7 5.820 28.496 -5.539 1.00 0.00 C ATOM 103 CG2 VAL A 7 3.904 27.285 -4.494 1.00 0.00 C ATOM 0 H VAL A 7 4.611 24.741 -5.186 1.00 0.00 H new ATOM 0 HA VAL A 7 4.306 26.826 -7.117 1.00 0.00 H new ATOM 0 HB VAL A 7 5.944 26.581 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.962 29.061 -4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.778 28.381 -6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.128 29.031 -6.189 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.049 27.855 -3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.210 27.816 -5.145 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.495 26.304 -4.251 1.00 0.00 H new ATOM 113 N ALA A 8 7.153 25.201 -7.053 1.00 0.00 N ATOM 114 CA ALA A 8 8.408 25.045 -7.766 1.00 0.00 C ATOM 115 C ALA A 8 8.150 24.897 -9.267 1.00 0.00 C ATOM 116 O ALA A 8 8.869 25.477 -10.077 1.00 0.00 O ATOM 117 CB ALA A 8 9.152 23.828 -7.220 1.00 0.00 C ATOM 0 H ALA A 8 6.961 24.470 -6.369 1.00 0.00 H new ATOM 0 HA ALA A 8 9.024 25.932 -7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.095 23.708 -7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.352 23.970 -6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.541 22.936 -7.358 1.00 0.00 H new ATOM 123 N LYS A 9 7.125 24.116 -9.631 1.00 0.00 N ATOM 124 CA LYS A 9 6.782 23.876 -11.028 1.00 0.00 C ATOM 125 C LYS A 9 5.956 25.036 -11.593 1.00 0.00 C ATOM 126 O LYS A 9 6.039 25.327 -12.784 1.00 0.00 O ATOM 127 CB LYS A 9 5.988 22.568 -11.131 1.00 0.00 C ATOM 128 CG LYS A 9 6.900 21.370 -10.842 1.00 0.00 C ATOM 129 CD LYS A 9 7.609 20.937 -12.132 1.00 0.00 C ATOM 130 CE LYS A 9 8.619 19.825 -11.828 1.00 0.00 C ATOM 131 NZ LYS A 9 9.757 20.337 -11.042 1.00 0.00 N ATOM 0 H LYS A 9 6.517 23.638 -8.966 1.00 0.00 H new ATOM 0 HA LYS A 9 7.700 23.799 -11.611 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.158 22.581 -10.424 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.557 22.474 -12.127 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.636 21.635 -10.083 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.314 20.542 -10.442 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.877 20.585 -12.859 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.119 21.790 -12.580 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.126 19.023 -11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.983 19.395 -12.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.515 19.625 -11.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.114 21.212 -11.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.446 20.536 -10.070 1.00 0.00 H new ATOM 145 N ARG A 10 5.148 25.686 -10.748 1.00 0.00 N ATOM 146 CA ARG A 10 4.285 26.775 -11.190 1.00 0.00 C ATOM 147 C ARG A 10 5.092 28.058 -11.421 1.00 0.00 C ATOM 148 O ARG A 10 4.922 28.716 -12.445 1.00 0.00 O ATOM 149 CB ARG A 10 3.194 27.005 -10.136 1.00 0.00 C ATOM 150 CG ARG A 10 2.088 27.911 -10.700 1.00 0.00 C ATOM 151 CD ARG A 10 0.833 27.083 -10.995 1.00 0.00 C ATOM 152 NE ARG A 10 1.088 26.090 -12.047 1.00 0.00 N ATOM 153 CZ ARG A 10 0.241 25.085 -12.332 1.00 0.00 C ATOM 154 NH1 ARG A 10 -0.917 24.969 -11.668 1.00 0.00 N ATOM 155 NH2 ARG A 10 0.557 24.197 -13.283 1.00 0.00 N ATOM 0 H ARG A 10 5.077 25.472 -9.753 1.00 0.00 H new ATOM 0 HA ARG A 10 3.824 26.504 -12.140 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.769 26.050 -9.829 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.629 27.461 -9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.853 28.700 -9.986 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.435 28.398 -11.611 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.505 26.578 -10.086 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.022 27.743 -11.303 1.00 0.00 H new ATOM 0 HE ARG A 10 1.950 26.166 -12.588 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.159 25.645 -10.943 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.556 24.205 -11.887 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.438 24.284 -13.789 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.084 23.434 -13.501 1.00 0.00 H new ATOM 169 N ALA A 11 5.952 28.417 -10.463 1.00 0.00 N ATOM 170 CA ALA A 11 6.727 29.645 -10.539 1.00 0.00 C ATOM 171 C ALA A 11 7.949 29.466 -11.435 1.00 0.00 C ATOM 172 O ALA A 11 8.196 30.296 -12.307 1.00 0.00 O ATOM 173 CB ALA A 11 7.155 30.058 -9.129 1.00 0.00 C ATOM 0 H ALA A 11 6.125 27.866 -9.623 1.00 0.00 H new ATOM 0 HA ALA A 11 6.107 30.428 -10.976 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.737 30.978 -9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.270 30.221 -8.513 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.763 29.269 -8.688 1.00 0.00 H new ATOM 179 N ASN A 12 8.717 28.389 -11.213 1.00 0.00 N ATOM 180 CA ASN A 12 9.931 28.133 -11.972 1.00 0.00 C ATOM 181 C ASN A 12 9.848 26.756 -12.629 1.00 0.00 C ATOM 182 O ASN A 12 8.773 26.323 -13.034 1.00 0.00 O ATOM 183 CB ASN A 12 11.140 28.222 -11.028 1.00 0.00 C ATOM 184 CG ASN A 12 11.093 29.490 -10.181 1.00 0.00 C ATOM 185 OD1 ASN A 12 11.413 30.572 -10.663 1.00 0.00 O ATOM 186 ND2 ASN A 12 10.696 29.353 -8.916 1.00 0.00 N ATOM 0 H ASN A 12 8.509 27.682 -10.507 1.00 0.00 H new ATOM 0 HA ASN A 12 10.045 28.877 -12.760 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.160 27.348 -10.377 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.061 28.206 -11.611 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.649 30.168 -8.305 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.439 28.433 -8.559 1.00 0.00 H new ATOM 193 N VAL A 13 10.994 26.075 -12.729 1.00 0.00 N ATOM 194 CA VAL A 13 11.076 24.754 -13.331 1.00 0.00 C ATOM 195 C VAL A 13 11.165 23.702 -12.229 1.00 0.00 C ATOM 196 O VAL A 13 10.526 22.654 -12.317 1.00 0.00 O ATOM 197 CB VAL A 13 12.306 24.690 -14.251 1.00 0.00 C ATOM 198 CG1 VAL A 13 12.393 23.308 -14.907 1.00 0.00 C ATOM 199 CG2 VAL A 13 12.193 25.762 -15.341 1.00 0.00 C ATOM 0 H VAL A 13 11.889 26.431 -12.392 1.00 0.00 H new ATOM 0 HA VAL A 13 10.186 24.557 -13.928 1.00 0.00 H new ATOM 0 HB VAL A 13 13.203 24.867 -13.657 1.00 0.00 H new ATOM 0 HG11 VAL A 13 13.266 23.269 -15.558 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.481 22.544 -14.135 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.494 23.127 -15.496 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.067 25.713 -15.991 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.292 25.589 -15.930 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.140 26.747 -14.878 1.00 0.00 H new ATOM 209 N SER A 14 11.962 23.980 -11.189 1.00 0.00 N ATOM 210 CA SER A 14 12.134 23.057 -10.081 1.00 0.00 C ATOM 211 C SER A 14 12.550 23.822 -8.826 1.00 0.00 C ATOM 212 O SER A 14 12.747 25.039 -8.869 1.00 0.00 O ATOM 213 CB SER A 14 13.186 22.006 -10.452 1.00 0.00 C ATOM 214 OG SER A 14 13.120 20.929 -9.542 1.00 0.00 O ATOM 0 H SER A 14 12.497 24.844 -11.100 1.00 0.00 H new ATOM 0 HA SER A 14 11.191 22.551 -9.875 1.00 0.00 H new ATOM 0 HB2 SER A 14 13.015 21.648 -11.467 1.00 0.00 H new ATOM 0 HB3 SER A 14 14.181 22.450 -10.434 1.00 0.00 H new ATOM 0 HG SER A 14 13.792 20.257 -9.781 1.00 0.00 H new ATOM 220 N THR A 15 12.680 23.097 -7.709 1.00 0.00 N ATOM 221 CA THR A 15 13.055 23.682 -6.429 1.00 0.00 C ATOM 222 C THR A 15 14.444 24.323 -6.515 1.00 0.00 C ATOM 223 O THR A 15 14.773 25.189 -5.710 1.00 0.00 O ATOM 224 CB THR A 15 13.023 22.583 -5.358 1.00 0.00 C ATOM 225 OG1 THR A 15 11.817 21.857 -5.472 1.00 0.00 O ATOM 226 CG2 THR A 15 13.108 23.205 -3.962 1.00 0.00 C ATOM 0 H THR A 15 12.527 22.089 -7.673 1.00 0.00 H new ATOM 0 HA THR A 15 12.349 24.468 -6.162 1.00 0.00 H new ATOM 0 HB THR A 15 13.874 21.917 -5.504 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.793 21.153 -4.791 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.084 22.416 -3.210 1.00 0.00 H new ATOM 0 HG22 THR A 15 14.038 23.766 -3.870 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.262 23.876 -3.811 1.00 0.00 H new ATOM 234 N THR A 16 15.254 23.901 -7.493 1.00 0.00 N ATOM 235 CA THR A 16 16.589 24.443 -7.684 1.00 0.00 C ATOM 236 C THR A 16 16.533 25.974 -7.757 1.00 0.00 C ATOM 237 O THR A 16 17.291 26.658 -7.076 1.00 0.00 O ATOM 238 CB THR A 16 17.180 23.855 -8.973 1.00 0.00 C ATOM 239 OG1 THR A 16 16.860 22.481 -9.052 1.00 0.00 O ATOM 240 CG2 THR A 16 18.700 24.024 -8.970 1.00 0.00 C ATOM 0 H THR A 16 14.998 23.179 -8.166 1.00 0.00 H new ATOM 0 HA THR A 16 17.225 24.173 -6.841 1.00 0.00 H new ATOM 0 HB THR A 16 16.762 24.379 -9.832 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.235 22.105 -9.875 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.114 23.605 -9.887 1.00 0.00 H new ATOM 0 HG22 THR A 16 18.948 25.084 -8.911 1.00 0.00 H new ATOM 0 HG23 THR A 16 19.122 23.504 -8.110 1.00 0.00 H new ATOM 248 N THR A 17 15.629 26.509 -8.584 1.00 0.00 N ATOM 249 CA THR A 17 15.488 27.948 -8.751 1.00 0.00 C ATOM 250 C THR A 17 15.005 28.599 -7.453 1.00 0.00 C ATOM 251 O THR A 17 15.374 29.732 -7.154 1.00 0.00 O ATOM 252 CB THR A 17 14.506 28.221 -9.895 1.00 0.00 C ATOM 253 OG1 THR A 17 14.810 27.378 -10.989 1.00 0.00 O ATOM 254 CG2 THR A 17 14.617 29.683 -10.335 1.00 0.00 C ATOM 0 H THR A 17 14.983 25.958 -9.149 1.00 0.00 H new ATOM 0 HA THR A 17 16.458 28.382 -8.995 1.00 0.00 H new ATOM 0 HB THR A 17 13.491 28.023 -9.551 1.00 0.00 H new ATOM 0 HG1 THR A 17 14.181 27.551 -11.720 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.917 29.872 -11.149 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.381 30.335 -9.494 1.00 0.00 H new ATOM 0 HG23 THR A 17 15.633 29.884 -10.676 1.00 0.00 H new ATOM 262 N VAL A 18 14.177 27.889 -6.681 1.00 0.00 N ATOM 263 CA VAL A 18 13.654 28.414 -5.428 1.00 0.00 C ATOM 264 C VAL A 18 14.788 28.539 -4.407 1.00 0.00 C ATOM 265 O VAL A 18 14.902 29.559 -3.728 1.00 0.00 O ATOM 266 CB VAL A 18 12.538 27.491 -4.905 1.00 0.00 C ATOM 267 CG1 VAL A 18 11.978 28.045 -3.591 1.00 0.00 C ATOM 268 CG2 VAL A 18 11.409 27.405 -5.938 1.00 0.00 C ATOM 0 H VAL A 18 13.857 26.947 -6.907 1.00 0.00 H new ATOM 0 HA VAL A 18 13.231 29.405 -5.592 1.00 0.00 H new ATOM 0 HB VAL A 18 12.952 26.497 -4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.189 27.388 -3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.776 28.100 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.571 29.042 -3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.622 26.751 -5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.000 28.400 -6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.801 27.003 -6.872 1.00 0.00 H new ATOM 278 N SER A 19 15.625 27.499 -4.297 1.00 0.00 N ATOM 279 CA SER A 19 16.726 27.491 -3.342 1.00 0.00 C ATOM 280 C SER A 19 17.695 28.643 -3.622 1.00 0.00 C ATOM 281 O SER A 19 18.243 29.218 -2.687 1.00 0.00 O ATOM 282 CB SER A 19 17.447 26.139 -3.391 1.00 0.00 C ATOM 283 OG SER A 19 18.194 26.030 -4.581 1.00 0.00 O ATOM 0 H SER A 19 15.555 26.653 -4.862 1.00 0.00 H new ATOM 0 HA SER A 19 16.325 27.634 -2.339 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.106 26.038 -2.529 1.00 0.00 H new ATOM 0 HB3 SER A 19 16.720 25.329 -3.333 1.00 0.00 H new ATOM 0 HG SER A 19 17.638 26.300 -5.342 1.00 0.00 H new ATOM 289 N HIS A 20 17.904 28.980 -4.909 1.00 0.00 N ATOM 290 CA HIS A 20 18.810 30.062 -5.293 1.00 0.00 C ATOM 291 C HIS A 20 18.463 31.343 -4.546 1.00 0.00 C ATOM 292 O HIS A 20 19.350 32.102 -4.161 1.00 0.00 O ATOM 293 CB HIS A 20 18.725 30.303 -6.804 1.00 0.00 C ATOM 294 CG HIS A 20 19.300 29.172 -7.604 1.00 0.00 C ATOM 295 ND1 HIS A 20 19.270 29.138 -8.993 1.00 0.00 N ATOM 296 CD2 HIS A 20 19.932 28.019 -7.234 1.00 0.00 C ATOM 297 CE1 HIS A 20 19.875 27.992 -9.363 1.00 0.00 C ATOM 298 NE2 HIS A 20 20.304 27.261 -8.334 1.00 0.00 N ATOM 0 H HIS A 20 17.454 28.513 -5.696 1.00 0.00 H new ATOM 0 HA HIS A 20 19.827 29.771 -5.031 1.00 0.00 H new ATOM 0 HB2 HIS A 20 17.682 30.449 -7.086 1.00 0.00 H new ATOM 0 HB3 HIS A 20 19.254 31.223 -7.051 1.00 0.00 H new ATOM 0 HD2 HIS A 20 20.119 27.733 -6.210 1.00 0.00 H new ATOM 0 HE1 HIS A 20 20.000 27.695 -10.394 1.00 0.00 H new ATOM 0 HE2 HIS A 20 20.788 26.363 -8.352 1.00 0.00 H new ATOM 306 N VAL A 21 17.169 31.581 -4.352 1.00 0.00 N ATOM 307 CA VAL A 21 16.695 32.778 -3.675 1.00 0.00 C ATOM 308 C VAL A 21 16.990 32.698 -2.177 1.00 0.00 C ATOM 309 O VAL A 21 17.367 33.702 -1.566 1.00 0.00 O ATOM 310 CB VAL A 21 15.183 32.930 -3.923 1.00 0.00 C ATOM 311 CG1 VAL A 21 14.659 34.189 -3.224 1.00 0.00 C ATOM 312 CG2 VAL A 21 14.909 33.041 -5.425 1.00 0.00 C ATOM 0 H VAL A 21 16.426 30.953 -4.658 1.00 0.00 H new ATOM 0 HA VAL A 21 17.215 33.650 -4.072 1.00 0.00 H new ATOM 0 HB VAL A 21 14.675 32.053 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.589 34.287 -3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.840 34.112 -2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.176 35.065 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.837 33.148 -5.592 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.428 33.912 -5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.267 32.142 -5.927 1.00 0.00 H new ATOM 322 N ILE A 22 16.807 31.513 -1.586 1.00 0.00 N ATOM 323 CA ILE A 22 17.008 31.314 -0.157 1.00 0.00 C ATOM 324 C ILE A 22 18.492 31.430 0.197 1.00 0.00 C ATOM 325 O ILE A 22 18.863 32.236 1.051 1.00 0.00 O ATOM 326 CB ILE A 22 16.452 29.935 0.247 1.00 0.00 C ATOM 327 CG1 ILE A 22 14.951 29.867 -0.084 1.00 0.00 C ATOM 328 CG2 ILE A 22 16.660 29.717 1.754 1.00 0.00 C ATOM 329 CD1 ILE A 22 14.403 28.470 0.216 1.00 0.00 C ATOM 0 H ILE A 22 16.517 30.673 -2.086 1.00 0.00 H new ATOM 0 HA ILE A 22 16.474 32.087 0.395 1.00 0.00 H new ATOM 0 HB ILE A 22 16.978 29.157 -0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 22 14.409 30.611 0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 22 14.792 30.109 -1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 22 16.266 28.741 2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 22 17.725 29.760 1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 22 16.137 30.495 2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.340 28.437 -0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.934 27.734 -0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 22 14.544 28.243 1.273 1.00 0.00 H new ATOM 341 N ASN A 23 19.339 30.620 -0.450 1.00 0.00 N ATOM 342 CA ASN A 23 20.772 30.610 -0.162 1.00 0.00 C ATOM 343 C ASN A 23 21.473 31.824 -0.788 1.00 0.00 C ATOM 344 O ASN A 23 22.632 32.083 -0.479 1.00 0.00 O ATOM 345 CB ASN A 23 21.392 29.291 -0.654 1.00 0.00 C ATOM 346 CG ASN A 23 21.150 29.060 -2.145 1.00 0.00 C ATOM 347 OD1 ASN A 23 21.079 30.003 -2.921 1.00 0.00 O ATOM 348 ND2 ASN A 23 21.022 27.793 -2.542 1.00 0.00 N ATOM 0 H ASN A 23 19.053 29.964 -1.177 1.00 0.00 H new ATOM 0 HA ASN A 23 20.913 30.680 0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 23 22.464 29.301 -0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 23 20.972 28.460 -0.087 1.00 0.00 H new ATOM 0 HD21 ASN A 23 20.858 27.581 -3.526 1.00 0.00 H new ATOM 0 HD22 ASN A 23 21.088 27.036 -1.861 1.00 0.00 H new ATOM 355 N LYS A 24 20.768 32.564 -1.663 1.00 0.00 N ATOM 356 CA LYS A 24 21.317 33.752 -2.314 1.00 0.00 C ATOM 357 C LYS A 24 22.606 33.400 -3.064 1.00 0.00 C ATOM 358 O LYS A 24 23.555 34.183 -3.069 1.00 0.00 O ATOM 359 CB LYS A 24 21.579 34.848 -1.267 1.00 0.00 C ATOM 360 CG LYS A 24 20.273 35.225 -0.557 1.00 0.00 C ATOM 361 CD LYS A 24 20.581 36.063 0.689 1.00 0.00 C ATOM 362 CE LYS A 24 20.965 35.143 1.855 1.00 0.00 C ATOM 363 NZ LYS A 24 21.315 35.923 3.056 1.00 0.00 N ATOM 0 H LYS A 24 19.808 32.351 -1.933 1.00 0.00 H new ATOM 0 HA LYS A 24 20.594 34.127 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 24 22.310 34.498 -0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.006 35.727 -1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.630 35.787 -1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.729 34.324 -0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 24 21.395 36.757 0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.712 36.663 0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 24 20.135 34.473 2.082 1.00 0.00 H new ATOM 0 HE3 LYS A 24 21.809 34.518 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 21.570 35.275 3.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 22.122 36.544 2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.500 36.501 3.344 1.00 0.00 H new ATOM 377 N THR A 25 22.637 32.222 -3.701 1.00 0.00 N ATOM 378 CA THR A 25 23.813 31.783 -4.450 1.00 0.00 C ATOM 379 C THR A 25 23.792 32.421 -5.839 1.00 0.00 C ATOM 380 O THR A 25 24.841 32.749 -6.391 1.00 0.00 O ATOM 381 CB THR A 25 23.849 30.246 -4.524 1.00 0.00 C ATOM 382 OG1 THR A 25 25.114 29.826 -4.987 1.00 0.00 O ATOM 383 CG2 THR A 25 22.769 29.721 -5.474 1.00 0.00 C ATOM 0 H THR A 25 21.861 31.560 -3.710 1.00 0.00 H new ATOM 0 HA THR A 25 24.722 32.104 -3.942 1.00 0.00 H new ATOM 0 HB THR A 25 23.663 29.849 -3.526 1.00 0.00 H new ATOM 0 HG1 THR A 25 25.137 28.847 -5.033 1.00 0.00 H new ATOM 0 HG21 THR A 25 22.814 28.633 -5.510 1.00 0.00 H new ATOM 0 HG22 THR A 25 21.787 30.032 -5.116 1.00 0.00 H new ATOM 0 HG23 THR A 25 22.936 30.124 -6.473 1.00 0.00 H new ATOM 391 N ARG A 26 22.586 32.602 -6.391 1.00 0.00 N ATOM 392 CA ARG A 26 22.392 33.228 -7.687 1.00 0.00 C ATOM 393 C ARG A 26 21.260 34.239 -7.556 1.00 0.00 C ATOM 394 O ARG A 26 20.171 34.030 -8.086 1.00 0.00 O ATOM 395 CB ARG A 26 22.068 32.158 -8.738 1.00 0.00 C ATOM 396 CG ARG A 26 23.342 31.397 -9.116 1.00 0.00 C ATOM 397 CD ARG A 26 22.987 30.226 -10.035 1.00 0.00 C ATOM 398 NE ARG A 26 24.166 29.391 -10.307 1.00 0.00 N ATOM 399 CZ ARG A 26 25.128 29.732 -11.185 1.00 0.00 C ATOM 400 NH1 ARG A 26 25.049 30.885 -11.865 1.00 0.00 N ATOM 401 NH2 ARG A 26 26.170 28.914 -11.380 1.00 0.00 N ATOM 0 H ARG A 26 21.717 32.313 -5.941 1.00 0.00 H new ATOM 0 HA ARG A 26 23.298 33.741 -8.011 1.00 0.00 H new ATOM 0 HB2 ARG A 26 21.323 31.465 -8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 26 21.636 32.624 -9.623 1.00 0.00 H new ATOM 0 HG2 ARG A 26 24.042 32.066 -9.616 1.00 0.00 H new ATOM 0 HG3 ARG A 26 23.838 31.030 -8.218 1.00 0.00 H new ATOM 0 HD2 ARG A 26 22.207 29.620 -9.573 1.00 0.00 H new ATOM 0 HD3 ARG A 26 22.582 30.606 -10.973 1.00 0.00 H new ATOM 0 HE ARG A 26 24.260 28.508 -9.805 1.00 0.00 H new ATOM 0 HH11 ARG A 26 24.256 31.510 -11.719 1.00 0.00 H new ATOM 0 HH12 ARG A 26 25.782 31.137 -12.529 1.00 0.00 H new ATOM 0 HH21 ARG A 26 26.233 28.036 -10.864 1.00 0.00 H new ATOM 0 HH22 ARG A 26 26.901 29.169 -12.044 1.00 0.00 H new ATOM 415 N PHE A 27 21.528 35.332 -6.833 1.00 0.00 N ATOM 416 CA PHE A 27 20.542 36.375 -6.602 1.00 0.00 C ATOM 417 C PHE A 27 20.082 36.956 -7.937 1.00 0.00 C ATOM 418 O PHE A 27 20.849 37.630 -8.622 1.00 0.00 O ATOM 419 CB PHE A 27 21.157 37.462 -5.716 1.00 0.00 C ATOM 420 CG PHE A 27 20.204 38.603 -5.419 1.00 0.00 C ATOM 421 CD1 PHE A 27 19.241 38.470 -4.402 1.00 0.00 C ATOM 422 CD2 PHE A 27 20.281 39.796 -6.161 1.00 0.00 C ATOM 423 CE1 PHE A 27 18.357 39.529 -4.129 1.00 0.00 C ATOM 424 CE2 PHE A 27 19.396 40.852 -5.888 1.00 0.00 C ATOM 425 CZ PHE A 27 18.434 40.719 -4.872 1.00 0.00 C ATOM 0 H PHE A 27 22.432 35.511 -6.396 1.00 0.00 H new ATOM 0 HA PHE A 27 19.672 35.958 -6.094 1.00 0.00 H new ATOM 0 HB2 PHE A 27 21.482 37.015 -4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 27 22.047 37.859 -6.204 1.00 0.00 H new ATOM 0 HD1 PHE A 27 19.181 37.555 -3.831 1.00 0.00 H new ATOM 0 HD2 PHE A 27 21.021 39.900 -6.941 1.00 0.00 H new ATOM 0 HE1 PHE A 27 17.618 39.428 -3.348 1.00 0.00 H new ATOM 0 HE2 PHE A 27 19.455 41.767 -6.459 1.00 0.00 H new ATOM 0 HZ PHE A 27 17.754 41.531 -4.662 1.00 0.00 H new ATOM 435 N VAL A 28 18.823 36.692 -8.297 1.00 0.00 N ATOM 436 CA VAL A 28 18.249 37.194 -9.535 1.00 0.00 C ATOM 437 C VAL A 28 17.920 38.681 -9.359 1.00 0.00 C ATOM 438 O VAL A 28 18.051 39.215 -8.259 1.00 0.00 O ATOM 439 CB VAL A 28 16.999 36.361 -9.887 1.00 0.00 C ATOM 440 CG1 VAL A 28 16.545 36.673 -11.320 1.00 0.00 C ATOM 441 CG2 VAL A 28 17.328 34.863 -9.779 1.00 0.00 C ATOM 0 H VAL A 28 18.182 36.128 -7.739 1.00 0.00 H new ATOM 0 HA VAL A 28 18.954 37.099 -10.361 1.00 0.00 H new ATOM 0 HB VAL A 28 16.200 36.615 -9.190 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.662 36.080 -11.559 1.00 0.00 H new ATOM 0 HG12 VAL A 28 16.304 37.733 -11.403 1.00 0.00 H new ATOM 0 HG13 VAL A 28 17.346 36.428 -12.017 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.443 34.277 -10.028 1.00 0.00 H new ATOM 0 HG22 VAL A 28 18.133 34.616 -10.471 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.641 34.632 -8.761 1.00 0.00 H new ATOM 451 N ALA A 29 17.501 39.351 -10.440 1.00 0.00 N ATOM 452 CA ALA A 29 17.198 40.779 -10.405 1.00 0.00 C ATOM 453 C ALA A 29 15.837 41.049 -9.743 1.00 0.00 C ATOM 454 O ALA A 29 15.002 41.739 -10.320 1.00 0.00 O ATOM 455 CB ALA A 29 17.216 41.321 -11.836 1.00 0.00 C ATOM 0 H ALA A 29 17.365 38.919 -11.354 1.00 0.00 H new ATOM 0 HA ALA A 29 17.953 41.287 -9.806 1.00 0.00 H new ATOM 0 HB1 ALA A 29 16.991 42.387 -11.824 1.00 0.00 H new ATOM 0 HB2 ALA A 29 18.202 41.163 -12.272 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.468 40.799 -12.432 1.00 0.00 H new ATOM 461 N GLU A 30 15.635 40.509 -8.525 1.00 0.00 N ATOM 462 CA GLU A 30 14.419 40.718 -7.723 1.00 0.00 C ATOM 463 C GLU A 30 13.176 40.033 -8.325 1.00 0.00 C ATOM 464 O GLU A 30 12.301 39.612 -7.576 1.00 0.00 O ATOM 465 CB GLU A 30 14.166 42.221 -7.521 1.00 0.00 C ATOM 466 CG GLU A 30 15.398 42.880 -6.890 1.00 0.00 C ATOM 467 CD GLU A 30 15.133 44.350 -6.590 1.00 0.00 C ATOM 468 OE1 GLU A 30 14.474 44.609 -5.560 1.00 0.00 O ATOM 469 OE2 GLU A 30 15.595 45.185 -7.396 1.00 0.00 O ATOM 0 H GLU A 30 16.321 39.909 -8.067 1.00 0.00 H new ATOM 0 HA GLU A 30 14.593 40.247 -6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.941 42.692 -8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.296 42.369 -6.881 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.663 42.359 -5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 30 16.249 42.790 -7.565 1.00 0.00 H new ATOM 476 N GLU A 31 13.087 39.926 -9.657 1.00 0.00 N ATOM 477 CA GLU A 31 11.929 39.334 -10.319 1.00 0.00 C ATOM 478 C GLU A 31 11.596 37.969 -9.715 1.00 0.00 C ATOM 479 O GLU A 31 10.508 37.777 -9.171 1.00 0.00 O ATOM 480 CB GLU A 31 12.220 39.199 -11.819 1.00 0.00 C ATOM 481 CG GLU A 31 12.298 40.586 -12.466 1.00 0.00 C ATOM 482 CD GLU A 31 12.694 40.476 -13.932 1.00 0.00 C ATOM 483 OE1 GLU A 31 13.849 40.065 -14.177 1.00 0.00 O ATOM 484 OE2 GLU A 31 11.835 40.804 -14.780 1.00 0.00 O ATOM 0 H GLU A 31 13.813 40.246 -10.298 1.00 0.00 H new ATOM 0 HA GLU A 31 11.065 39.983 -10.173 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.159 38.666 -11.969 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.438 38.609 -12.298 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.333 41.087 -12.382 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.024 41.201 -11.933 1.00 0.00 H new ATOM 491 N THR A 32 12.531 37.022 -9.819 1.00 0.00 N ATOM 492 CA THR A 32 12.321 35.673 -9.313 1.00 0.00 C ATOM 493 C THR A 32 12.082 35.696 -7.804 1.00 0.00 C ATOM 494 O THR A 32 11.226 34.972 -7.310 1.00 0.00 O ATOM 495 CB THR A 32 13.535 34.807 -9.661 1.00 0.00 C ATOM 496 OG1 THR A 32 13.764 34.868 -11.052 1.00 0.00 O ATOM 497 CG2 THR A 32 13.274 33.354 -9.256 1.00 0.00 C ATOM 0 H THR A 32 13.443 37.170 -10.252 1.00 0.00 H new ATOM 0 HA THR A 32 11.434 35.246 -9.782 1.00 0.00 H new ATOM 0 HB THR A 32 14.407 35.178 -9.123 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.434 34.199 -11.303 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.142 32.745 -9.507 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.093 33.302 -8.182 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.401 32.979 -9.790 1.00 0.00 H new ATOM 505 N ARG A 33 12.839 36.521 -7.071 1.00 0.00 N ATOM 506 CA ARG A 33 12.703 36.605 -5.622 1.00 0.00 C ATOM 507 C ARG A 33 11.258 36.942 -5.243 1.00 0.00 C ATOM 508 O ARG A 33 10.632 36.214 -4.473 1.00 0.00 O ATOM 509 CB ARG A 33 13.679 37.655 -5.076 1.00 0.00 C ATOM 510 CG ARG A 33 13.409 37.881 -3.585 1.00 0.00 C ATOM 511 CD ARG A 33 14.618 38.546 -2.923 1.00 0.00 C ATOM 512 NE ARG A 33 15.637 37.543 -2.569 1.00 0.00 N ATOM 513 CZ ARG A 33 16.343 37.574 -1.423 1.00 0.00 C ATOM 514 NH1 ARG A 33 16.379 38.687 -0.677 1.00 0.00 N ATOM 515 NH2 ARG A 33 17.014 36.484 -1.025 1.00 0.00 N ATOM 0 H ARG A 33 13.551 37.138 -7.463 1.00 0.00 H new ATOM 0 HA ARG A 33 12.947 35.640 -5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.707 37.323 -5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.565 38.591 -5.623 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.526 38.508 -3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.197 36.929 -3.098 1.00 0.00 H new ATOM 0 HD2 ARG A 33 15.048 39.285 -3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.300 39.080 -2.028 1.00 0.00 H new ATOM 0 HE ARG A 33 15.817 36.785 -3.227 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.869 39.518 -0.976 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.916 38.703 0.190 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.989 35.635 -1.590 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.550 36.504 -0.157 1.00 0.00 H new ATOM 529 N ASN A 34 10.731 38.046 -5.784 1.00 0.00 N ATOM 530 CA ASN A 34 9.373 38.477 -5.489 1.00 0.00 C ATOM 531 C ASN A 34 8.371 37.420 -5.947 1.00 0.00 C ATOM 532 O ASN A 34 7.453 37.081 -5.207 1.00 0.00 O ATOM 533 CB ASN A 34 9.099 39.815 -6.186 1.00 0.00 C ATOM 534 CG ASN A 34 9.799 40.962 -5.464 1.00 0.00 C ATOM 535 OD1 ASN A 34 10.803 41.479 -5.943 1.00 0.00 O ATOM 536 ND2 ASN A 34 9.266 41.359 -4.308 1.00 0.00 N ATOM 0 H ASN A 34 11.232 38.655 -6.431 1.00 0.00 H new ATOM 0 HA ASN A 34 9.262 38.607 -4.412 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.443 39.768 -7.219 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.025 40.001 -6.215 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.695 42.122 -3.784 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.430 40.900 -3.948 1.00 0.00 H new ATOM 543 N ALA A 35 8.548 36.904 -7.170 1.00 0.00 N ATOM 544 CA ALA A 35 7.648 35.902 -7.728 1.00 0.00 C ATOM 545 C ALA A 35 7.566 34.676 -6.814 1.00 0.00 C ATOM 546 O ALA A 35 6.483 34.147 -6.589 1.00 0.00 O ATOM 547 CB ALA A 35 8.140 35.502 -9.119 1.00 0.00 C ATOM 0 H ALA A 35 9.313 37.170 -7.790 1.00 0.00 H new ATOM 0 HA ALA A 35 6.647 36.326 -7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.470 34.753 -9.540 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.156 36.379 -9.766 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.146 35.088 -9.044 1.00 0.00 H new ATOM 553 N VAL A 36 8.713 34.225 -6.295 1.00 0.00 N ATOM 554 CA VAL A 36 8.767 33.054 -5.432 1.00 0.00 C ATOM 555 C VAL A 36 7.981 33.306 -4.144 1.00 0.00 C ATOM 556 O VAL A 36 7.059 32.556 -3.831 1.00 0.00 O ATOM 557 CB VAL A 36 10.239 32.712 -5.140 1.00 0.00 C ATOM 558 CG1 VAL A 36 10.345 31.799 -3.913 1.00 0.00 C ATOM 559 CG2 VAL A 36 10.837 31.990 -6.349 1.00 0.00 C ATOM 0 H VAL A 36 9.620 34.661 -6.463 1.00 0.00 H new ATOM 0 HA VAL A 36 8.305 32.203 -5.932 1.00 0.00 H new ATOM 0 HB VAL A 36 10.782 33.637 -4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.393 31.567 -3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.920 32.304 -3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.797 30.875 -4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.880 31.745 -6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.279 31.073 -6.538 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.779 32.637 -7.224 1.00 0.00 H new ATOM 569 N TRP A 37 8.346 34.354 -3.395 1.00 0.00 N ATOM 570 CA TRP A 37 7.683 34.663 -2.131 1.00 0.00 C ATOM 571 C TRP A 37 6.187 34.899 -2.349 1.00 0.00 C ATOM 572 O TRP A 37 5.371 34.498 -1.519 1.00 0.00 O ATOM 573 CB TRP A 37 8.343 35.886 -1.490 1.00 0.00 C ATOM 574 CG TRP A 37 9.791 35.702 -1.137 1.00 0.00 C ATOM 575 CD1 TRP A 37 10.783 36.546 -1.462 1.00 0.00 C ATOM 576 CD2 TRP A 37 10.436 34.618 -0.393 1.00 0.00 C ATOM 577 NE1 TRP A 37 11.993 36.089 -0.997 1.00 0.00 N ATOM 578 CE2 TRP A 37 11.841 34.892 -0.327 1.00 0.00 C ATOM 579 CE3 TRP A 37 9.991 33.427 0.236 1.00 0.00 C ATOM 580 CZ2 TRP A 37 12.743 34.039 0.314 1.00 0.00 C ATOM 581 CZ3 TRP A 37 10.902 32.564 0.883 1.00 0.00 C ATOM 582 CH2 TRP A 37 12.272 32.870 0.919 1.00 0.00 C ATOM 0 H TRP A 37 9.096 34.999 -3.645 1.00 0.00 H new ATOM 0 HA TRP A 37 7.789 33.814 -1.456 1.00 0.00 H new ATOM 0 HB2 TRP A 37 8.254 36.731 -2.173 1.00 0.00 H new ATOM 0 HB3 TRP A 37 7.793 36.148 -0.586 1.00 0.00 H new ATOM 0 HD1 TRP A 37 10.648 37.463 -2.016 1.00 0.00 H new ATOM 0 HE1 TRP A 37 12.883 36.570 -1.129 1.00 0.00 H new ATOM 0 HE3 TRP A 37 8.940 33.177 0.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 13.795 34.281 0.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 10.542 31.661 1.354 1.00 0.00 H new ATOM 0 HH2 TRP A 37 12.962 32.202 1.414 1.00 0.00 H new ATOM 593 N ALA A 38 5.828 35.544 -3.461 1.00 0.00 N ATOM 594 CA ALA A 38 4.435 35.822 -3.770 1.00 0.00 C ATOM 595 C ALA A 38 3.686 34.515 -4.021 1.00 0.00 C ATOM 596 O ALA A 38 2.655 34.264 -3.406 1.00 0.00 O ATOM 597 CB ALA A 38 4.358 36.734 -4.995 1.00 0.00 C ATOM 0 H ALA A 38 6.489 35.882 -4.160 1.00 0.00 H new ATOM 0 HA ALA A 38 3.967 36.328 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.314 36.943 -5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.878 37.669 -4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.828 36.241 -5.846 1.00 0.00 H new ATOM 603 N ALA A 39 4.212 33.685 -4.931 1.00 0.00 N ATOM 604 CA ALA A 39 3.587 32.419 -5.291 1.00 0.00 C ATOM 605 C ALA A 39 3.443 31.513 -4.065 1.00 0.00 C ATOM 606 O ALA A 39 2.414 30.863 -3.899 1.00 0.00 O ATOM 607 CB ALA A 39 4.427 31.735 -6.369 1.00 0.00 C ATOM 0 H ALA A 39 5.079 33.877 -5.433 1.00 0.00 H new ATOM 0 HA ALA A 39 2.586 32.612 -5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.965 30.787 -6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.485 32.378 -7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.431 31.552 -5.986 1.00 0.00 H new ATOM 613 N ILE A 40 4.476 31.467 -3.212 1.00 0.00 N ATOM 614 CA ILE A 40 4.461 30.631 -2.017 1.00 0.00 C ATOM 615 C ILE A 40 3.214 30.916 -1.178 1.00 0.00 C ATOM 616 O ILE A 40 2.548 29.988 -0.724 1.00 0.00 O ATOM 617 CB ILE A 40 5.745 30.880 -1.202 1.00 0.00 C ATOM 618 CG1 ILE A 40 6.895 30.067 -1.814 1.00 0.00 C ATOM 619 CG2 ILE A 40 5.533 30.452 0.260 1.00 0.00 C ATOM 620 CD1 ILE A 40 8.244 30.602 -1.331 1.00 0.00 C ATOM 0 H ILE A 40 5.334 32.005 -3.334 1.00 0.00 H new ATOM 0 HA ILE A 40 4.429 29.582 -2.311 1.00 0.00 H new ATOM 0 HB ILE A 40 5.988 31.942 -1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.793 29.017 -1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.845 30.117 -2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.446 30.632 0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.716 31.029 0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.286 29.391 0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.048 30.015 -1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.350 31.645 -1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.297 30.528 -0.245 1.00 0.00 H new ATOM 632 N LYS A 41 2.904 32.198 -0.967 1.00 0.00 N ATOM 633 CA LYS A 41 1.770 32.590 -0.148 1.00 0.00 C ATOM 634 C LYS A 41 0.476 32.477 -0.947 1.00 0.00 C ATOM 635 O LYS A 41 -0.555 32.095 -0.397 1.00 0.00 O ATOM 636 CB LYS A 41 1.975 34.029 0.334 1.00 0.00 C ATOM 637 CG LYS A 41 3.193 34.101 1.266 1.00 0.00 C ATOM 638 CD LYS A 41 3.440 35.554 1.698 1.00 0.00 C ATOM 639 CE LYS A 41 2.826 35.814 3.081 1.00 0.00 C ATOM 640 NZ LYS A 41 1.358 35.678 3.056 1.00 0.00 N ATOM 0 H LYS A 41 3.430 32.980 -1.357 1.00 0.00 H new ATOM 0 HA LYS A 41 1.697 31.926 0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.121 34.690 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.085 34.376 0.858 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.027 33.476 2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.074 33.710 0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.511 35.755 1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.006 36.236 0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.245 35.113 3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.094 36.816 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.957 36.084 3.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.977 36.182 2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.104 34.671 2.995 1.00 0.00 H new ATOM 654 N GLU A 42 0.532 32.818 -2.238 1.00 0.00 N ATOM 655 CA GLU A 42 -0.636 32.785 -3.099 1.00 0.00 C ATOM 656 C GLU A 42 -1.214 31.370 -3.147 1.00 0.00 C ATOM 657 O GLU A 42 -2.383 31.164 -2.826 1.00 0.00 O ATOM 658 CB GLU A 42 -0.244 33.268 -4.500 1.00 0.00 C ATOM 659 CG GLU A 42 -1.489 33.393 -5.382 1.00 0.00 C ATOM 660 CD GLU A 42 -1.110 33.837 -6.789 1.00 0.00 C ATOM 661 OE1 GLU A 42 -0.631 32.966 -7.547 1.00 0.00 O ATOM 662 OE2 GLU A 42 -1.303 35.037 -7.078 1.00 0.00 O ATOM 0 H GLU A 42 1.386 33.122 -2.706 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.405 33.447 -2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.261 34.231 -4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.461 32.569 -4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.008 32.435 -5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.181 34.111 -4.943 1.00 0.00 H new ATOM 669 N LEU A 43 -0.391 30.398 -3.553 1.00 0.00 N ATOM 670 CA LEU A 43 -0.818 29.011 -3.650 1.00 0.00 C ATOM 671 C LEU A 43 -1.010 28.436 -2.252 1.00 0.00 C ATOM 672 O LEU A 43 -1.990 27.735 -2.011 1.00 0.00 O ATOM 673 CB LEU A 43 0.237 28.196 -4.419 1.00 0.00 C ATOM 674 CG LEU A 43 0.030 28.286 -5.948 1.00 0.00 C ATOM 675 CD1 LEU A 43 -1.243 27.534 -6.359 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.063 29.747 -6.402 1.00 0.00 C ATOM 0 H LEU A 43 0.581 30.555 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.765 28.959 -4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.233 28.559 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.189 27.153 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 43 0.891 27.825 -6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.376 27.606 -7.438 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.155 26.486 -6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.104 27.975 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.209 29.784 -7.482 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.905 30.229 -5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.858 30.268 -6.142 1.00 0.00 H new ATOM 688 N HIS A 44 -0.061 28.738 -1.342 1.00 0.00 N ATOM 689 CA HIS A 44 -0.080 28.248 0.036 1.00 0.00 C ATOM 690 C HIS A 44 0.079 26.724 0.055 1.00 0.00 C ATOM 691 O HIS A 44 -0.742 25.990 -0.488 1.00 0.00 O ATOM 692 CB HIS A 44 -1.358 28.700 0.763 1.00 0.00 C ATOM 693 CG HIS A 44 -1.770 27.756 1.862 1.00 0.00 C ATOM 694 ND1 HIS A 44 -1.222 27.800 3.139 1.00 0.00 N ATOM 695 CD2 HIS A 44 -2.673 26.725 1.899 1.00 0.00 C ATOM 696 CE1 HIS A 44 -1.814 26.818 3.848 1.00 0.00 C ATOM 697 NE2 HIS A 44 -2.712 26.123 3.147 1.00 0.00 N ATOM 0 H HIS A 44 0.741 29.332 -1.552 1.00 0.00 H new ATOM 0 HA HIS A 44 0.763 28.680 0.576 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.199 29.693 1.184 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.170 28.786 0.041 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.279 26.419 1.059 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.584 26.614 4.883 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -3.287 25.339 3.455 1.00 0.00 H new ATOM 705 N TYR A 45 1.154 26.260 0.691 1.00 0.00 N ATOM 706 CA TYR A 45 1.447 24.832 0.782 1.00 0.00 C ATOM 707 C TYR A 45 2.340 24.550 1.992 1.00 0.00 C ATOM 708 O TYR A 45 3.367 23.887 1.872 1.00 0.00 O ATOM 709 CB TYR A 45 2.079 24.345 -0.532 1.00 0.00 C ATOM 710 CG TYR A 45 3.413 24.970 -0.933 1.00 0.00 C ATOM 711 CD1 TYR A 45 4.067 25.938 -0.130 1.00 0.00 C ATOM 712 CD2 TYR A 45 4.010 24.556 -2.137 1.00 0.00 C ATOM 713 CE1 TYR A 45 5.302 26.465 -0.534 1.00 0.00 C ATOM 714 CE2 TYR A 45 5.237 25.094 -2.537 1.00 0.00 C ATOM 715 CZ TYR A 45 5.887 26.043 -1.737 1.00 0.00 C ATOM 716 OH TYR A 45 7.091 26.549 -2.128 1.00 0.00 O ATOM 0 H TYR A 45 1.840 26.857 1.153 1.00 0.00 H new ATOM 0 HA TYR A 45 0.521 24.276 0.929 1.00 0.00 H new ATOM 0 HB2 TYR A 45 2.218 23.266 -0.462 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.366 24.523 -1.337 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.614 26.269 0.793 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.519 23.819 -2.755 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.803 27.197 0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.686 24.777 -3.467 1.00 0.00 H new ATOM 0 HH TYR A 45 7.801 25.909 -1.911 1.00 0.00 H new ATOM 726 N SER A 46 1.936 25.068 3.161 1.00 0.00 N ATOM 727 CA SER A 46 2.693 24.897 4.392 1.00 0.00 C ATOM 728 C SER A 46 3.021 23.411 4.607 1.00 0.00 C ATOM 729 O SER A 46 2.105 22.596 4.721 1.00 0.00 O ATOM 730 CB SER A 46 1.874 25.440 5.566 1.00 0.00 C ATOM 731 OG SER A 46 2.698 25.533 6.708 1.00 0.00 O ATOM 0 H SER A 46 1.080 25.612 3.271 1.00 0.00 H new ATOM 0 HA SER A 46 3.631 25.448 4.324 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.466 26.420 5.317 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.027 24.784 5.767 1.00 0.00 H new ATOM 0 HG SER A 46 2.167 25.349 7.511 1.00 0.00 H new ATOM 737 N PRO A 47 4.324 23.046 4.662 1.00 0.00 N ATOM 738 CA PRO A 47 4.740 21.670 4.857 1.00 0.00 C ATOM 739 C PRO A 47 4.292 21.153 6.228 1.00 0.00 C ATOM 740 O PRO A 47 4.105 19.950 6.405 1.00 0.00 O ATOM 741 CB PRO A 47 6.267 21.674 4.732 1.00 0.00 C ATOM 742 CG PRO A 47 6.703 23.140 4.640 1.00 0.00 C ATOM 743 CD PRO A 47 5.428 23.976 4.531 1.00 0.00 C ATOM 0 HA PRO A 47 4.288 21.005 4.121 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.726 21.188 5.593 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.583 21.121 3.848 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.279 23.427 5.519 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.344 23.299 3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.392 24.736 5.312 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.386 24.499 3.576 1.00 0.00 H new ATOM 751 N SER A 48 4.121 22.063 7.195 1.00 0.00 N ATOM 752 CA SER A 48 3.686 21.707 8.537 1.00 0.00 C ATOM 753 C SER A 48 2.878 22.861 9.118 1.00 0.00 C ATOM 754 O SER A 48 3.244 24.016 8.931 1.00 0.00 O ATOM 755 CB SER A 48 4.908 21.404 9.408 1.00 0.00 C ATOM 756 OG SER A 48 5.650 20.347 8.835 1.00 0.00 O ATOM 0 H SER A 48 4.282 23.062 7.063 1.00 0.00 H new ATOM 0 HA SER A 48 3.058 20.817 8.506 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.532 22.293 9.497 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.591 21.134 10.415 1.00 0.00 H new ATOM 0 HG SER A 48 6.432 20.156 9.393 1.00 0.00 H new ATOM 762 N ALA A 49 1.776 22.537 9.813 1.00 0.00 N ATOM 763 CA ALA A 49 0.886 23.535 10.404 1.00 0.00 C ATOM 764 C ALA A 49 0.231 24.360 9.293 1.00 0.00 C ATOM 765 O ALA A 49 0.768 25.377 8.858 1.00 0.00 O ATOM 766 CB ALA A 49 1.657 24.424 11.389 1.00 0.00 C ATOM 0 H ALA A 49 1.482 21.574 9.978 1.00 0.00 H new ATOM 0 HA ALA A 49 0.099 23.033 10.966 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.980 25.162 11.820 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.076 23.808 12.184 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.463 24.935 10.863 1.00 0.00 H new ATOM 772 N VAL A 50 -0.941 23.906 8.833 1.00 0.00 N ATOM 773 CA VAL A 50 -1.674 24.573 7.766 1.00 0.00 C ATOM 774 C VAL A 50 -2.152 25.959 8.220 1.00 0.00 C ATOM 775 O VAL A 50 -2.267 26.868 7.402 1.00 0.00 O ATOM 776 CB VAL A 50 -2.855 23.682 7.335 1.00 0.00 C ATOM 777 CG1 VAL A 50 -3.926 23.638 8.433 1.00 0.00 C ATOM 778 CG2 VAL A 50 -3.472 24.223 6.041 1.00 0.00 C ATOM 0 H VAL A 50 -1.401 23.069 9.192 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.017 24.725 6.910 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.481 22.672 7.166 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.752 23.004 8.110 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.493 23.233 9.348 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.295 24.646 8.622 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.306 23.588 5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.830 25.239 6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.719 24.227 5.253 1.00 0.00 H new ATOM 788 N ALA A 51 -2.429 26.115 9.524 1.00 0.00 N ATOM 789 CA ALA A 51 -2.907 27.378 10.069 1.00 0.00 C ATOM 790 C ALA A 51 -1.879 28.485 9.828 1.00 0.00 C ATOM 791 O ALA A 51 -2.142 29.421 9.075 1.00 0.00 O ATOM 792 CB ALA A 51 -3.187 27.209 11.564 1.00 0.00 C ATOM 0 H ALA A 51 -2.327 25.373 10.217 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.830 27.665 9.566 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.545 28.152 11.976 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.945 26.439 11.707 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.270 26.915 12.075 1.00 0.00 H new ATOM 798 N ARG A 52 -0.709 28.376 10.470 1.00 0.00 N ATOM 799 CA ARG A 52 0.348 29.357 10.328 1.00 0.00 C ATOM 800 C ARG A 52 1.657 28.740 10.834 1.00 0.00 C ATOM 801 O ARG A 52 1.888 27.549 10.644 1.00 0.00 O ATOM 802 CB ARG A 52 -0.031 30.629 11.113 1.00 0.00 C ATOM 803 CG ARG A 52 0.601 31.862 10.453 1.00 0.00 C ATOM 804 CD ARG A 52 0.469 33.067 11.386 1.00 0.00 C ATOM 805 NE ARG A 52 1.116 34.251 10.808 1.00 0.00 N ATOM 806 CZ ARG A 52 1.151 35.445 11.428 1.00 0.00 C ATOM 807 NH1 ARG A 52 0.566 35.600 12.624 1.00 0.00 N ATOM 808 NH2 ARG A 52 1.771 36.480 10.848 1.00 0.00 N ATOM 0 H ARG A 52 -0.479 27.605 11.097 1.00 0.00 H new ATOM 0 HA ARG A 52 0.483 29.641 9.284 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.115 30.738 11.143 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.309 30.544 12.145 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.652 31.672 10.235 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.110 32.070 9.502 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.585 33.277 11.569 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.920 32.836 12.351 1.00 0.00 H new ATOM 0 HE ARG A 52 1.560 34.165 9.894 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.093 34.812 13.066 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.594 36.506 13.092 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.216 36.363 9.938 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.798 37.386 11.316 1.00 0.00 H new ATOM 822 N SER A 53 2.506 29.545 11.475 1.00 0.00 N ATOM 823 CA SER A 53 3.783 29.080 11.994 1.00 0.00 C ATOM 824 C SER A 53 4.380 30.158 12.894 1.00 0.00 C ATOM 825 O SER A 53 4.754 31.227 12.413 1.00 0.00 O ATOM 826 CB SER A 53 4.729 28.766 10.828 1.00 0.00 C ATOM 827 OG SER A 53 4.795 29.876 9.957 1.00 0.00 O ATOM 0 H SER A 53 2.324 30.534 11.646 1.00 0.00 H new ATOM 0 HA SER A 53 3.639 28.171 12.578 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.723 28.529 11.207 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.377 27.888 10.287 1.00 0.00 H new ATOM 0 HG SER A 53 4.754 30.704 10.479 1.00 0.00 H new ATOM 833 N LEU A 54 4.467 29.877 14.200 1.00 0.00 N ATOM 834 CA LEU A 54 5.021 30.819 15.161 1.00 0.00 C ATOM 835 C LEU A 54 5.459 30.074 16.421 1.00 0.00 C ATOM 836 O LEU A 54 4.998 28.960 16.676 1.00 0.00 O ATOM 837 CB LEU A 54 3.978 31.899 15.497 1.00 0.00 C ATOM 838 CG LEU A 54 2.676 31.258 16.015 1.00 0.00 C ATOM 839 CD1 LEU A 54 2.231 31.964 17.297 1.00 0.00 C ATOM 840 CD2 LEU A 54 1.578 31.390 14.957 1.00 0.00 C ATOM 0 H LEU A 54 4.156 28.996 14.611 1.00 0.00 H new ATOM 0 HA LEU A 54 5.894 31.308 14.728 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.380 32.577 16.250 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.767 32.496 14.610 1.00 0.00 H new ATOM 0 HG LEU A 54 2.855 30.203 16.222 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.310 31.509 17.662 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.009 31.867 18.055 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.057 33.020 17.089 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.659 30.935 15.327 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.401 32.445 14.745 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.890 30.884 14.043 1.00 0.00 H new ATOM 852 N LYS A 55 6.352 30.695 17.203 1.00 0.00 N ATOM 853 CA LYS A 55 6.861 30.105 18.435 1.00 0.00 C ATOM 854 C LYS A 55 7.504 28.741 18.130 1.00 0.00 C ATOM 855 O LYS A 55 8.053 28.546 17.046 1.00 0.00 O ATOM 856 CB LYS A 55 5.708 29.986 19.451 1.00 0.00 C ATOM 857 CG LYS A 55 6.243 30.135 20.884 1.00 0.00 C ATOM 858 CD LYS A 55 6.386 31.622 21.234 1.00 0.00 C ATOM 859 CE LYS A 55 6.810 31.777 22.700 1.00 0.00 C ATOM 860 NZ LYS A 55 8.148 31.203 22.936 1.00 0.00 N ATOM 0 H LYS A 55 6.737 31.617 16.995 1.00 0.00 H new ATOM 0 HA LYS A 55 7.632 30.740 18.871 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.959 30.753 19.253 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.213 29.021 19.339 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.566 29.650 21.587 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.208 29.636 20.975 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.125 32.088 20.582 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.440 32.137 21.064 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.813 32.833 22.970 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.082 31.285 23.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.492 31.498 23.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.092 30.165 22.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.805 31.541 22.204 1.00 0.00 H new ATOM 874 N VAL A 56 7.435 27.806 19.088 1.00 0.00 N ATOM 875 CA VAL A 56 7.999 26.473 18.932 1.00 0.00 C ATOM 876 C VAL A 56 7.108 25.470 19.661 1.00 0.00 C ATOM 877 O VAL A 56 7.236 24.266 19.350 1.00 0.00 O ATOM 878 CB VAL A 56 9.436 26.431 19.492 1.00 0.00 C ATOM 879 CG1 VAL A 56 10.366 27.284 18.624 1.00 0.00 C ATOM 880 CG2 VAL A 56 9.464 26.952 20.935 1.00 0.00 C ATOM 881 OXT VAL A 56 6.385 25.918 20.584 1.00 0.00 O ATOM 0 H VAL A 56 6.985 27.960 19.990 1.00 0.00 H new ATOM 0 HA VAL A 56 8.043 26.214 17.874 1.00 0.00 H new ATOM 0 HB VAL A 56 9.779 25.396 19.480 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.377 27.247 19.029 1.00 0.00 H new ATOM 0 HG12 VAL A 56 10.369 26.897 17.605 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.015 28.316 18.620 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.485 26.916 21.315 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.105 27.981 20.957 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.822 26.330 21.559 1.00 0.00 H new TER 891 VAL A 56