USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 TYR OH : rot 6:sc= -0.0613 USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= -0.538 USER MOD Set 2.1: A 70 HIS : no HD1:sc= -0.962 X(o=-1.9,f=-1.7) USER MOD Set 2.2: A 90 SER OG : rot 141:sc= -0.951! USER MOD Set 3.1: A 44 LYS NZ :NH3+ -167:sc= -1.33 (180deg=-1.66) USER MOD Set 3.2: A 48 LYS NZ :NH3+ -164:sc= -1.29 (180deg=-1.57) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.32 (180deg=0.51) USER MOD Single : A 2 SER OG : rot -48:sc= 1.11 USER MOD Single : A 5 LYS NZ :NH3+ -128:sc= 1.57 (180deg=-0.593) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.1!) USER MOD Single : A 13 MET CE :methyl 137:sc= -4.18! (180deg=-5.53!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -126:sc= -2.06! (180deg=-4.4!) USER MOD Single : A 18 GLN : amide:sc= -4.17! K(o=-4.2!,f=-1.5) USER MOD Single : A 19 GLN : amide:sc= -2.47 K(o=-2.5,f=-0.5) USER MOD Single : A 24 CYS SG : rot 82:sc= 0.129 USER MOD Single : A 26 THR OG1 : rot 61:sc= 1.17 USER MOD Single : A 27 GLN : amide:sc= -2.96 K(o=-3,f=-6!) USER MOD Single : A 29 MET CE :methyl -167:sc= -0.0936 (180deg=-0.667) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.48 K(o=-3.5,f=-0.5) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.25) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.59! K(o=-2.6!,f=-0.31) USER MOD Single : A 53 THR OG1 : rot 180:sc= -2.7! USER MOD Single : A 55 HIS : no HD1:sc= -0.319 K(o=-0.32,f=-1) USER MOD Single : A 56 CYS SG : rot 130:sc= -4.25! USER MOD Single : A 61 SER OG : rot -56:sc= 0.806 USER MOD Single : A 63 ASN : amide:sc= -2.33! K(o=-2.3!,f=-0.044) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 151:sc= -0.588 USER MOD Single : A 73 LYS NZ :NH3+ 134:sc= -0.045 (180deg=-0.296) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc=-0.00231 X(o=-0.0023,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 136:sc= 0.615 (180deg=-0.369) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.787 11.028 16.932 1.00 0.00 N ATOM 2 CA MET A 1 9.299 12.418 16.723 1.00 0.00 C ATOM 3 C MET A 1 9.211 12.752 15.238 1.00 0.00 C ATOM 4 O MET A 1 9.481 11.907 14.385 1.00 0.00 O ATOM 5 CB MET A 1 10.245 13.399 17.428 1.00 0.00 C ATOM 6 CG MET A 1 11.643 13.464 16.825 1.00 0.00 C ATOM 7 SD MET A 1 12.609 11.968 17.112 1.00 0.00 S ATOM 8 CE MET A 1 14.141 12.392 16.288 1.00 0.00 C ATOM 0 H1 MET A 1 9.555 10.720 17.898 1.00 0.00 H new ATOM 0 H2 MET A 1 9.330 10.393 16.247 1.00 0.00 H new ATOM 0 H3 MET A 1 10.818 10.998 16.798 1.00 0.00 H new ATOM 0 HA MET A 1 8.298 12.504 17.145 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.803 14.395 17.400 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.327 13.116 18.477 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.561 13.636 15.752 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.174 14.318 17.245 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.844 11.564 16.378 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.945 12.589 15.234 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.568 13.282 16.750 1.00 0.00 H new ATOM 20 N SER A 2 8.833 13.990 14.934 1.00 0.00 N ATOM 21 CA SER A 2 8.707 14.437 13.551 1.00 0.00 C ATOM 22 C SER A 2 7.618 13.658 12.824 1.00 0.00 C ATOM 23 O SER A 2 7.688 13.457 11.611 1.00 0.00 O ATOM 24 CB SER A 2 10.041 14.284 12.816 1.00 0.00 C ATOM 25 OG SER A 2 9.937 14.724 11.474 1.00 0.00 O ATOM 0 H SER A 2 8.608 14.703 15.628 1.00 0.00 H new ATOM 0 HA SER A 2 8.428 15.491 13.562 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.812 14.857 13.331 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.353 13.240 12.836 1.00 0.00 H new ATOM 0 HG SER A 2 9.141 14.329 11.061 1.00 0.00 H new ATOM 31 N ASP A 3 6.608 13.226 13.573 1.00 0.00 N ATOM 32 CA ASP A 3 5.495 12.471 13.003 1.00 0.00 C ATOM 33 C ASP A 3 5.992 11.257 12.221 1.00 0.00 C ATOM 34 O ASP A 3 6.247 11.343 11.021 1.00 0.00 O ATOM 35 CB ASP A 3 4.658 13.371 12.092 1.00 0.00 C ATOM 36 CG ASP A 3 4.067 14.554 12.832 1.00 0.00 C ATOM 37 OD1 ASP A 3 3.298 14.330 13.793 1.00 0.00 O ATOM 38 OD2 ASP A 3 4.371 15.704 12.453 1.00 0.00 O ATOM 0 H ASP A 3 6.537 13.386 14.578 1.00 0.00 H new ATOM 0 HA ASP A 3 4.875 12.115 13.826 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.279 13.732 11.273 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.853 12.785 11.647 1.00 0.00 H new ATOM 43 N ARG A 4 6.119 10.126 12.909 1.00 0.00 N ATOM 44 CA ARG A 4 6.578 8.896 12.279 1.00 0.00 C ATOM 45 C ARG A 4 5.421 7.923 12.075 1.00 0.00 C ATOM 46 O ARG A 4 5.609 6.708 12.098 1.00 0.00 O ATOM 47 CB ARG A 4 7.674 8.238 13.119 1.00 0.00 C ATOM 48 CG ARG A 4 8.959 9.044 13.184 1.00 0.00 C ATOM 49 CD ARG A 4 9.703 9.058 11.853 1.00 0.00 C ATOM 50 NE ARG A 4 10.341 7.773 11.556 1.00 0.00 N ATOM 51 CZ ARG A 4 9.717 6.729 11.010 1.00 0.00 C ATOM 52 NH1 ARG A 4 8.463 6.831 10.595 1.00 0.00 N ATOM 53 NH2 ARG A 4 10.367 5.584 10.850 1.00 0.00 N ATOM 0 H ARG A 4 5.910 10.038 13.903 1.00 0.00 H new ATOM 0 HA ARG A 4 6.989 9.153 11.303 1.00 0.00 H new ATOM 0 HB2 ARG A 4 7.300 8.084 14.131 1.00 0.00 H new ATOM 0 HB3 ARG A 4 7.894 7.253 12.707 1.00 0.00 H new ATOM 0 HG2 ARG A 4 8.728 10.068 13.479 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.607 8.628 13.955 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.006 9.308 11.053 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.461 9.841 11.872 1.00 0.00 H new ATOM 0 HE ARG A 4 11.330 7.670 11.782 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.964 7.715 10.692 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.996 6.025 10.179 1.00 0.00 H new ATOM 0 HH21 ARG A 4 11.340 5.505 11.144 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.893 4.783 10.433 1.00 0.00 H new ATOM 67 N LYS A 5 4.226 8.469 11.881 1.00 0.00 N ATOM 68 CA LYS A 5 3.033 7.663 11.679 1.00 0.00 C ATOM 69 C LYS A 5 3.245 6.605 10.597 1.00 0.00 C ATOM 70 O LYS A 5 2.614 5.549 10.620 1.00 0.00 O ATOM 71 CB LYS A 5 1.857 8.568 11.310 1.00 0.00 C ATOM 72 CG LYS A 5 0.556 7.815 11.130 1.00 0.00 C ATOM 73 CD LYS A 5 0.260 6.958 12.341 1.00 0.00 C ATOM 74 CE LYS A 5 -1.042 6.194 12.176 1.00 0.00 C ATOM 75 NZ LYS A 5 -1.306 5.289 13.329 1.00 0.00 N ATOM 0 H LYS A 5 4.060 9.475 11.860 1.00 0.00 H new ATOM 0 HA LYS A 5 2.814 7.141 12.611 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.729 9.321 12.088 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.092 9.100 10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.259 8.521 10.970 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.613 7.188 10.240 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.078 6.255 12.500 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.204 7.588 13.229 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.866 6.900 12.073 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.006 5.609 11.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.503 4.330 12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.473 5.267 13.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.127 5.638 13.863 1.00 0.00 H new ATOM 89 N ALA A 6 4.135 6.892 9.652 1.00 0.00 N ATOM 90 CA ALA A 6 4.426 5.959 8.568 1.00 0.00 C ATOM 91 C ALA A 6 4.972 4.647 9.113 1.00 0.00 C ATOM 92 O ALA A 6 6.184 4.456 9.199 1.00 0.00 O ATOM 93 CB ALA A 6 5.410 6.577 7.587 1.00 0.00 C ATOM 0 H ALA A 6 4.667 7.762 9.615 1.00 0.00 H new ATOM 0 HA ALA A 6 3.495 5.747 8.042 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.617 5.869 6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.982 7.487 7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.338 6.819 8.106 1.00 0.00 H new ATOM 99 N VAL A 7 4.066 3.747 9.489 1.00 0.00 N ATOM 100 CA VAL A 7 4.458 2.454 10.039 1.00 0.00 C ATOM 101 C VAL A 7 3.346 1.421 9.880 1.00 0.00 C ATOM 102 O VAL A 7 2.179 1.770 9.696 1.00 0.00 O ATOM 103 CB VAL A 7 4.810 2.582 11.535 1.00 0.00 C ATOM 104 CG1 VAL A 7 5.181 1.232 12.131 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.936 3.584 11.737 1.00 0.00 C ATOM 0 H VAL A 7 3.058 3.890 9.423 1.00 0.00 H new ATOM 0 HA VAL A 7 5.334 2.121 9.482 1.00 0.00 H new ATOM 0 HB VAL A 7 3.925 2.946 12.057 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.424 1.355 13.186 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.340 0.546 12.030 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.045 0.827 11.604 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.169 3.660 12.799 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.821 3.252 11.194 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.626 4.560 11.363 1.00 0.00 H new ATOM 115 N ILE A 8 3.716 0.144 9.965 1.00 0.00 N ATOM 116 CA ILE A 8 2.753 -0.942 9.843 1.00 0.00 C ATOM 117 C ILE A 8 2.051 -1.191 11.174 1.00 0.00 C ATOM 118 O ILE A 8 2.676 -1.146 12.234 1.00 0.00 O ATOM 119 CB ILE A 8 3.434 -2.247 9.375 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.169 -2.018 8.053 1.00 0.00 C ATOM 121 CG2 ILE A 8 2.408 -3.362 9.228 1.00 0.00 C ATOM 122 CD1 ILE A 8 4.874 -3.251 7.530 1.00 0.00 C ATOM 0 H ILE A 8 4.677 -0.161 10.118 1.00 0.00 H new ATOM 0 HA ILE A 8 2.019 -0.642 9.095 1.00 0.00 H new ATOM 0 HB ILE A 8 4.161 -2.548 10.129 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.455 -1.673 7.305 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.900 -1.221 8.187 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.906 -4.274 8.898 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.924 -3.540 10.188 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.658 -3.071 8.493 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.373 -3.014 6.590 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.613 -3.585 8.259 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.145 -4.044 7.363 1.00 0.00 H new ATOM 134 N LYS A 9 0.748 -1.448 11.114 1.00 0.00 N ATOM 135 CA LYS A 9 -0.035 -1.698 12.318 1.00 0.00 C ATOM 136 C LYS A 9 -0.142 -3.193 12.600 1.00 0.00 C ATOM 137 O LYS A 9 0.361 -3.680 13.613 1.00 0.00 O ATOM 138 CB LYS A 9 -1.432 -1.089 12.180 1.00 0.00 C ATOM 139 CG LYS A 9 -2.292 -1.258 13.422 1.00 0.00 C ATOM 140 CD LYS A 9 -1.658 -0.594 14.632 1.00 0.00 C ATOM 141 CE LYS A 9 -2.520 -0.758 15.875 1.00 0.00 C ATOM 142 NZ LYS A 9 -1.906 -0.108 17.066 1.00 0.00 N ATOM 0 H LYS A 9 0.214 -1.488 10.246 1.00 0.00 H new ATOM 0 HA LYS A 9 0.477 -1.227 13.157 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.336 -0.027 11.956 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.938 -1.549 11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.278 -0.828 13.245 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.438 -2.319 13.623 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.674 -1.026 14.811 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.508 0.466 14.429 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.505 -0.327 15.693 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.669 -1.819 16.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.524 -0.242 17.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.977 -0.536 17.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.788 0.909 16.884 1.00 0.00 H new ATOM 156 N ASN A 10 -0.801 -3.916 11.702 1.00 0.00 N ATOM 157 CA ASN A 10 -0.971 -5.355 11.860 1.00 0.00 C ATOM 158 C ASN A 10 -0.890 -6.065 10.513 1.00 0.00 C ATOM 159 O ASN A 10 -1.125 -5.465 9.465 1.00 0.00 O ATOM 160 CB ASN A 10 -2.303 -5.662 12.534 1.00 0.00 C ATOM 161 CG ASN A 10 -3.474 -5.226 11.692 1.00 0.00 C ATOM 162 OD1 ASN A 10 -3.714 -4.033 11.505 1.00 0.00 O ATOM 163 ND2 ASN A 10 -4.200 -6.195 11.163 1.00 0.00 N ATOM 0 H ASN A 10 -1.226 -3.530 10.859 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.162 -5.723 12.491 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.374 -6.732 12.727 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.345 -5.160 13.501 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.999 -5.968 10.571 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.962 -7.170 11.347 1.00 0.00 H new ATOM 170 N ALA A 11 -0.556 -7.350 10.552 1.00 0.00 N ATOM 171 CA ALA A 11 -0.441 -8.151 9.341 1.00 0.00 C ATOM 172 C ALA A 11 -0.292 -9.631 9.683 1.00 0.00 C ATOM 173 O ALA A 11 0.813 -10.107 9.948 1.00 0.00 O ATOM 174 CB ALA A 11 0.740 -7.678 8.508 1.00 0.00 C ATOM 0 H ALA A 11 -0.360 -7.860 11.413 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.354 -8.026 8.758 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.815 -8.285 7.606 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.595 -6.633 8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.657 -7.776 9.089 1.00 0.00 H new ATOM 180 N ASP A 12 -1.407 -10.351 9.682 1.00 0.00 N ATOM 181 CA ASP A 12 -1.400 -11.775 9.996 1.00 0.00 C ATOM 182 C ASP A 12 -1.154 -12.611 8.745 1.00 0.00 C ATOM 183 O ASP A 12 -1.981 -13.441 8.367 1.00 0.00 O ATOM 184 CB ASP A 12 -2.726 -12.180 10.646 1.00 0.00 C ATOM 185 CG ASP A 12 -3.001 -11.423 11.931 1.00 0.00 C ATOM 186 OD1 ASP A 12 -2.161 -10.584 12.318 1.00 0.00 O ATOM 187 OD2 ASP A 12 -4.058 -11.668 12.549 1.00 0.00 O ATOM 0 H ASP A 12 -2.329 -9.972 9.467 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.587 -11.963 10.697 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.540 -12.003 9.943 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.712 -13.250 10.855 1.00 0.00 H new ATOM 192 N MET A 13 -0.013 -12.385 8.105 1.00 0.00 N ATOM 193 CA MET A 13 0.337 -13.117 6.893 1.00 0.00 C ATOM 194 C MET A 13 1.812 -13.511 6.879 1.00 0.00 C ATOM 195 O MET A 13 2.553 -13.223 7.818 1.00 0.00 O ATOM 196 CB MET A 13 -0.003 -12.281 5.658 1.00 0.00 C ATOM 197 CG MET A 13 0.482 -10.845 5.745 1.00 0.00 C ATOM 198 SD MET A 13 0.011 -9.867 4.305 1.00 0.00 S ATOM 199 CE MET A 13 -1.768 -10.074 4.325 1.00 0.00 C ATOM 0 H MET A 13 0.684 -11.703 8.404 1.00 0.00 H new ATOM 0 HA MET A 13 -0.249 -14.036 6.876 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.436 -12.752 4.779 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.083 -12.283 5.514 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.075 -10.381 6.644 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.567 -10.837 5.846 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.248 -9.117 4.122 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.059 -10.795 3.561 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.081 -10.437 5.304 1.00 0.00 H new ATOM 209 N SER A 14 2.224 -14.181 5.805 1.00 0.00 N ATOM 210 CA SER A 14 3.607 -14.635 5.654 1.00 0.00 C ATOM 211 C SER A 14 4.607 -13.503 5.893 1.00 0.00 C ATOM 212 O SER A 14 5.755 -13.759 6.253 1.00 0.00 O ATOM 213 CB SER A 14 3.812 -15.230 4.260 1.00 0.00 C ATOM 214 OG SER A 14 3.031 -16.398 4.085 1.00 0.00 O ATOM 0 H SER A 14 1.617 -14.423 5.022 1.00 0.00 H new ATOM 0 HA SER A 14 3.789 -15.400 6.408 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.544 -14.493 3.503 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.866 -15.468 4.114 1.00 0.00 H new ATOM 0 HG SER A 14 3.178 -16.758 3.186 1.00 0.00 H new ATOM 220 N GLU A 15 4.153 -12.263 5.697 1.00 0.00 N ATOM 221 CA GLU A 15 4.981 -11.062 5.893 1.00 0.00 C ATOM 222 C GLU A 15 5.606 -10.587 4.586 1.00 0.00 C ATOM 223 O GLU A 15 5.820 -9.387 4.389 1.00 0.00 O ATOM 224 CB GLU A 15 6.080 -11.282 6.942 1.00 0.00 C ATOM 225 CG GLU A 15 5.555 -11.742 8.293 1.00 0.00 C ATOM 226 CD GLU A 15 6.658 -11.926 9.319 1.00 0.00 C ATOM 227 OE1 GLU A 15 7.836 -11.690 8.974 1.00 0.00 O ATOM 228 OE2 GLU A 15 6.344 -12.304 10.466 1.00 0.00 O ATOM 0 H GLU A 15 3.200 -12.059 5.397 1.00 0.00 H new ATOM 0 HA GLU A 15 4.308 -10.288 6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.786 -12.022 6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.634 -10.353 7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.836 -11.013 8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.020 -12.683 8.169 1.00 0.00 H new ATOM 235 N ASP A 16 5.888 -11.520 3.686 1.00 0.00 N ATOM 236 CA ASP A 16 6.483 -11.165 2.404 1.00 0.00 C ATOM 237 C ASP A 16 5.538 -10.275 1.608 1.00 0.00 C ATOM 238 O ASP A 16 5.950 -9.606 0.662 1.00 0.00 O ATOM 239 CB ASP A 16 6.833 -12.419 1.599 1.00 0.00 C ATOM 240 CG ASP A 16 5.608 -13.225 1.212 1.00 0.00 C ATOM 241 OD1 ASP A 16 4.881 -13.670 2.121 1.00 0.00 O ATOM 242 OD2 ASP A 16 5.379 -13.412 -0.002 1.00 0.00 O ATOM 0 H ASP A 16 5.717 -12.517 3.817 1.00 0.00 H new ATOM 0 HA ASP A 16 7.404 -10.615 2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.372 -12.129 0.697 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.506 -13.046 2.184 1.00 0.00 H new ATOM 247 N MET A 17 4.268 -10.261 2.004 1.00 0.00 N ATOM 248 CA MET A 17 3.276 -9.443 1.330 1.00 0.00 C ATOM 249 C MET A 17 3.216 -8.062 1.939 1.00 0.00 C ATOM 250 O MET A 17 3.147 -7.075 1.217 1.00 0.00 O ATOM 251 CB MET A 17 1.911 -10.123 1.366 1.00 0.00 C ATOM 252 CG MET A 17 1.817 -11.349 0.473 1.00 0.00 C ATOM 253 SD MET A 17 0.187 -12.118 0.517 1.00 0.00 S ATOM 254 CE MET A 17 -0.839 -10.769 -0.063 1.00 0.00 C ATOM 0 H MET A 17 3.907 -10.807 2.786 1.00 0.00 H new ATOM 0 HA MET A 17 3.570 -9.332 0.286 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.686 -10.414 2.392 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.149 -9.405 1.064 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.053 -11.065 -0.553 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.566 -12.077 0.783 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.638 -10.585 0.655 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.232 -9.870 -0.169 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.272 -11.030 -1.029 1.00 0.00 H new ATOM 264 N GLN A 18 3.296 -7.977 3.257 1.00 0.00 N ATOM 265 CA GLN A 18 3.309 -6.674 3.892 1.00 0.00 C ATOM 266 C GLN A 18 4.572 -5.942 3.451 1.00 0.00 C ATOM 267 O GLN A 18 4.645 -4.714 3.497 1.00 0.00 O ATOM 268 CB GLN A 18 3.230 -6.789 5.417 1.00 0.00 C ATOM 269 CG GLN A 18 4.167 -7.820 6.011 1.00 0.00 C ATOM 270 CD GLN A 18 3.940 -8.007 7.497 1.00 0.00 C ATOM 271 OE1 GLN A 18 4.367 -7.187 8.311 1.00 0.00 O ATOM 272 NE2 GLN A 18 3.231 -9.072 7.855 1.00 0.00 N ATOM 0 H GLN A 18 3.351 -8.773 3.892 1.00 0.00 H new ATOM 0 HA GLN A 18 2.430 -6.108 3.584 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.453 -5.816 5.856 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.207 -7.039 5.699 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.027 -8.773 5.501 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.199 -7.514 5.838 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.898 -9.725 7.146 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.020 -9.237 8.839 1.00 0.00 H new ATOM 281 N GLN A 19 5.556 -6.718 2.973 1.00 0.00 N ATOM 282 CA GLN A 19 6.800 -6.150 2.473 1.00 0.00 C ATOM 283 C GLN A 19 6.611 -5.685 1.037 1.00 0.00 C ATOM 284 O GLN A 19 6.873 -4.527 0.706 1.00 0.00 O ATOM 285 CB GLN A 19 7.934 -7.176 2.554 1.00 0.00 C ATOM 286 CG GLN A 19 8.315 -7.556 3.979 1.00 0.00 C ATOM 287 CD GLN A 19 8.906 -6.405 4.786 1.00 0.00 C ATOM 288 OE1 GLN A 19 9.142 -6.545 5.986 1.00 0.00 O ATOM 289 NE2 GLN A 19 9.169 -5.268 4.141 1.00 0.00 N ATOM 0 H GLN A 19 5.508 -7.736 2.925 1.00 0.00 H new ATOM 0 HA GLN A 19 7.070 -5.295 3.093 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.638 -8.075 2.014 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.812 -6.775 2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.431 -7.932 4.494 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.036 -8.373 3.947 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.961 -5.186 3.146 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.579 -4.480 4.643 1.00 0.00 H new ATOM 298 N ASP A 20 6.118 -6.585 0.191 1.00 0.00 N ATOM 299 CA ASP A 20 5.856 -6.253 -1.203 1.00 0.00 C ATOM 300 C ASP A 20 4.697 -5.270 -1.291 1.00 0.00 C ATOM 301 O ASP A 20 4.523 -4.581 -2.292 1.00 0.00 O ATOM 302 CB ASP A 20 5.547 -7.512 -2.016 1.00 0.00 C ATOM 303 CG ASP A 20 6.734 -8.452 -2.106 1.00 0.00 C ATOM 304 OD1 ASP A 20 7.799 -8.015 -2.591 1.00 0.00 O ATOM 305 OD2 ASP A 20 6.595 -9.623 -1.698 1.00 0.00 O ATOM 0 H ASP A 20 5.893 -7.546 0.447 1.00 0.00 H new ATOM 0 HA ASP A 20 6.750 -5.791 -1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.706 -8.036 -1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.238 -7.225 -3.021 1.00 0.00 H new ATOM 310 N ALA A 21 3.916 -5.203 -0.218 1.00 0.00 N ATOM 311 CA ALA A 21 2.785 -4.292 -0.145 1.00 0.00 C ATOM 312 C ALA A 21 3.284 -2.882 0.096 1.00 0.00 C ATOM 313 O ALA A 21 2.921 -1.948 -0.618 1.00 0.00 O ATOM 314 CB ALA A 21 1.823 -4.715 0.954 1.00 0.00 C ATOM 0 H ALA A 21 4.049 -5.774 0.617 1.00 0.00 H new ATOM 0 HA ALA A 21 2.245 -4.322 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.984 -4.020 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.453 -5.719 0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.341 -4.710 1.913 1.00 0.00 H new ATOM 320 N VAL A 22 4.150 -2.741 1.094 1.00 0.00 N ATOM 321 CA VAL A 22 4.730 -1.447 1.410 1.00 0.00 C ATOM 322 C VAL A 22 5.514 -0.932 0.212 1.00 0.00 C ATOM 323 O VAL A 22 5.601 0.275 -0.015 1.00 0.00 O ATOM 324 CB VAL A 22 5.653 -1.515 2.644 1.00 0.00 C ATOM 325 CG1 VAL A 22 6.256 -0.150 2.939 1.00 0.00 C ATOM 326 CG2 VAL A 22 4.890 -2.038 3.851 1.00 0.00 C ATOM 0 H VAL A 22 4.463 -3.505 1.694 1.00 0.00 H new ATOM 0 HA VAL A 22 3.913 -0.765 1.644 1.00 0.00 H new ATOM 0 HB VAL A 22 6.467 -2.206 2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.904 -0.220 3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.839 0.183 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.458 0.566 3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.556 -2.080 4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.055 -1.373 4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.511 -3.037 3.637 1.00 0.00 H new ATOM 336 N ASP A 23 6.060 -1.860 -0.573 1.00 0.00 N ATOM 337 CA ASP A 23 6.806 -1.485 -1.768 1.00 0.00 C ATOM 338 C ASP A 23 5.840 -1.131 -2.867 1.00 0.00 C ATOM 339 O ASP A 23 5.836 -0.008 -3.358 1.00 0.00 O ATOM 340 CB ASP A 23 7.747 -2.607 -2.211 1.00 0.00 C ATOM 341 CG ASP A 23 8.798 -2.928 -1.167 1.00 0.00 C ATOM 342 OD1 ASP A 23 9.572 -2.018 -0.805 1.00 0.00 O ATOM 343 OD2 ASP A 23 8.850 -4.091 -0.714 1.00 0.00 O ATOM 0 H ASP A 23 6.000 -2.864 -0.404 1.00 0.00 H new ATOM 0 HA ASP A 23 7.424 -0.617 -1.538 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.164 -3.503 -2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.238 -2.319 -3.140 1.00 0.00 H new ATOM 348 N CYS A 24 4.979 -2.065 -3.219 1.00 0.00 N ATOM 349 CA CYS A 24 3.973 -1.790 -4.230 1.00 0.00 C ATOM 350 C CYS A 24 3.176 -0.555 -3.825 1.00 0.00 C ATOM 351 O CYS A 24 2.553 0.088 -4.662 1.00 0.00 O ATOM 352 CB CYS A 24 3.044 -2.990 -4.427 1.00 0.00 C ATOM 353 SG CYS A 24 3.862 -4.454 -5.101 1.00 0.00 S ATOM 0 H CYS A 24 4.953 -3.007 -2.829 1.00 0.00 H new ATOM 0 HA CYS A 24 4.472 -1.603 -5.181 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.593 -3.248 -3.469 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.232 -2.701 -5.094 1.00 0.00 H new ATOM 0 HG CYS A 24 4.457 -5.099 -4.142 1.00 0.00 H new ATOM 359 N ALA A 25 3.238 -0.208 -2.535 1.00 0.00 N ATOM 360 CA ALA A 25 2.555 0.972 -2.034 1.00 0.00 C ATOM 361 C ALA A 25 3.431 2.194 -2.269 1.00 0.00 C ATOM 362 O ALA A 25 2.942 3.270 -2.612 1.00 0.00 O ATOM 363 CB ALA A 25 2.230 0.816 -0.556 1.00 0.00 C ATOM 0 H ALA A 25 3.754 -0.730 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 25 1.613 1.099 -2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.719 1.710 -0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.585 -0.051 -0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.153 0.677 0.007 1.00 0.00 H new ATOM 369 N THR A 26 4.736 2.004 -2.103 1.00 0.00 N ATOM 370 CA THR A 26 5.699 3.073 -2.318 1.00 0.00 C ATOM 371 C THR A 26 5.782 3.397 -3.801 1.00 0.00 C ATOM 372 O THR A 26 5.644 4.551 -4.207 1.00 0.00 O ATOM 373 CB THR A 26 7.076 2.672 -1.786 1.00 0.00 C ATOM 374 OG1 THR A 26 7.015 2.388 -0.400 1.00 0.00 O ATOM 375 CG2 THR A 26 8.132 3.738 -1.990 1.00 0.00 C ATOM 0 H THR A 26 5.150 1.116 -1.819 1.00 0.00 H new ATOM 0 HA THR A 26 5.368 3.959 -1.776 1.00 0.00 H new ATOM 0 HB THR A 26 7.360 1.789 -2.358 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.398 1.642 -0.246 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.084 3.389 -1.590 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.240 3.944 -3.055 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.834 4.650 -1.472 1.00 0.00 H new ATOM 383 N GLN A 27 5.973 2.363 -4.612 1.00 0.00 N ATOM 384 CA GLN A 27 6.036 2.536 -6.054 1.00 0.00 C ATOM 385 C GLN A 27 4.681 2.975 -6.568 1.00 0.00 C ATOM 386 O GLN A 27 4.590 3.737 -7.527 1.00 0.00 O ATOM 387 CB GLN A 27 6.482 1.245 -6.748 1.00 0.00 C ATOM 388 CG GLN A 27 7.963 0.942 -6.585 1.00 0.00 C ATOM 389 CD GLN A 27 8.365 0.717 -5.140 1.00 0.00 C ATOM 390 OE1 GLN A 27 7.934 -0.246 -4.507 1.00 0.00 O ATOM 391 NE2 GLN A 27 9.194 1.608 -4.611 1.00 0.00 N ATOM 0 H GLN A 27 6.086 1.400 -4.295 1.00 0.00 H new ATOM 0 HA GLN A 27 6.775 3.304 -6.282 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.904 0.411 -6.350 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.250 1.316 -7.811 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.214 0.056 -7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.545 1.768 -6.994 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.527 2.392 -5.173 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.499 1.509 -3.643 1.00 0.00 H new ATOM 400 N ALA A 28 3.623 2.507 -5.912 1.00 0.00 N ATOM 401 CA ALA A 28 2.283 2.886 -6.310 1.00 0.00 C ATOM 402 C ALA A 28 2.100 4.392 -6.182 1.00 0.00 C ATOM 403 O ALA A 28 1.466 5.023 -7.024 1.00 0.00 O ATOM 404 CB ALA A 28 1.236 2.158 -5.481 1.00 0.00 C ATOM 0 H ALA A 28 3.672 1.874 -5.114 1.00 0.00 H new ATOM 0 HA ALA A 28 2.148 2.599 -7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.240 2.463 -5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.348 1.082 -5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.369 2.406 -4.428 1.00 0.00 H new ATOM 410 N MET A 29 2.671 4.961 -5.124 1.00 0.00 N ATOM 411 CA MET A 29 2.581 6.394 -4.883 1.00 0.00 C ATOM 412 C MET A 29 3.534 7.153 -5.797 1.00 0.00 C ATOM 413 O MET A 29 3.312 8.323 -6.108 1.00 0.00 O ATOM 414 CB MET A 29 2.889 6.713 -3.419 1.00 0.00 C ATOM 415 CG MET A 29 1.850 6.177 -2.448 1.00 0.00 C ATOM 416 SD MET A 29 2.262 6.521 -0.727 1.00 0.00 S ATOM 417 CE MET A 29 0.865 5.778 0.111 1.00 0.00 C ATOM 0 H MET A 29 3.202 4.448 -4.420 1.00 0.00 H new ATOM 0 HA MET A 29 1.562 6.712 -5.102 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.863 6.297 -3.162 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.963 7.794 -3.299 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.880 6.618 -2.680 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.752 5.100 -2.585 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.850 6.102 1.152 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.059 6.087 -0.378 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.952 4.692 0.071 1.00 0.00 H new ATOM 427 N GLU A 30 4.592 6.478 -6.233 1.00 0.00 N ATOM 428 CA GLU A 30 5.568 7.090 -7.120 1.00 0.00 C ATOM 429 C GLU A 30 5.089 7.014 -8.564 1.00 0.00 C ATOM 430 O GLU A 30 5.239 7.962 -9.334 1.00 0.00 O ATOM 431 CB GLU A 30 6.930 6.409 -6.980 1.00 0.00 C ATOM 432 CG GLU A 30 7.570 6.604 -5.613 1.00 0.00 C ATOM 433 CD GLU A 30 7.842 8.061 -5.301 1.00 0.00 C ATOM 434 OE1 GLU A 30 8.599 8.701 -6.060 1.00 0.00 O ATOM 435 OE2 GLU A 30 7.297 8.564 -4.295 1.00 0.00 O ATOM 0 H GLU A 30 4.793 5.509 -5.986 1.00 0.00 H new ATOM 0 HA GLU A 30 5.677 8.137 -6.838 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.815 5.342 -7.169 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.602 6.798 -7.745 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.916 6.188 -4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.505 6.046 -5.571 1.00 0.00 H new ATOM 442 N LYS A 31 4.500 5.877 -8.916 1.00 0.00 N ATOM 443 CA LYS A 31 3.981 5.667 -10.264 1.00 0.00 C ATOM 444 C LYS A 31 2.563 6.218 -10.385 1.00 0.00 C ATOM 445 O LYS A 31 2.145 6.662 -11.456 1.00 0.00 O ATOM 446 CB LYS A 31 3.998 4.178 -10.616 1.00 0.00 C ATOM 447 CG LYS A 31 3.475 3.876 -12.012 1.00 0.00 C ATOM 448 CD LYS A 31 4.288 4.594 -13.078 1.00 0.00 C ATOM 449 CE LYS A 31 5.749 4.173 -13.042 1.00 0.00 C ATOM 450 NZ LYS A 31 6.553 4.871 -14.084 1.00 0.00 N ATOM 0 H LYS A 31 4.369 5.085 -8.287 1.00 0.00 H new ATOM 0 HA LYS A 31 4.623 6.201 -10.965 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.019 3.805 -10.531 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.398 3.634 -9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.508 2.801 -12.190 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.430 4.179 -12.084 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.870 4.379 -14.062 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.215 5.671 -12.929 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.165 4.388 -12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.820 3.095 -13.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.543 4.557 -14.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.172 4.646 -15.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.506 5.898 -13.928 1.00 0.00 H new ATOM 464 N TYR A 32 1.832 6.194 -9.274 1.00 0.00 N ATOM 465 CA TYR A 32 0.463 6.698 -9.237 1.00 0.00 C ATOM 466 C TYR A 32 0.283 7.631 -8.052 1.00 0.00 C ATOM 467 O TYR A 32 0.684 7.316 -6.935 1.00 0.00 O ATOM 468 CB TYR A 32 -0.536 5.540 -9.165 1.00 0.00 C ATOM 469 CG TYR A 32 -0.550 4.678 -10.407 1.00 0.00 C ATOM 470 CD1 TYR A 32 -0.870 5.218 -11.646 1.00 0.00 C ATOM 471 CD2 TYR A 32 -0.245 3.324 -10.341 1.00 0.00 C ATOM 472 CE1 TYR A 32 -0.887 4.434 -12.783 1.00 0.00 C ATOM 473 CE2 TYR A 32 -0.258 2.535 -11.474 1.00 0.00 C ATOM 474 CZ TYR A 32 -0.578 3.093 -12.692 1.00 0.00 C ATOM 475 OH TYR A 32 -0.593 2.309 -13.823 1.00 0.00 O ATOM 0 H TYR A 32 2.168 5.829 -8.383 1.00 0.00 H new ATOM 0 HA TYR A 32 0.272 7.255 -10.154 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.297 4.917 -8.303 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.535 5.942 -9.000 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.110 6.268 -11.722 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.006 2.882 -9.388 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.141 4.869 -13.738 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.018 1.484 -11.405 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.351 1.389 -13.587 1.00 0.00 H new ATOM 485 N ASN A 33 -0.313 8.787 -8.302 1.00 0.00 N ATOM 486 CA ASN A 33 -0.532 9.767 -7.253 1.00 0.00 C ATOM 487 C ASN A 33 -2.010 9.859 -6.901 1.00 0.00 C ATOM 488 O ASN A 33 -2.434 10.776 -6.195 1.00 0.00 O ATOM 489 CB ASN A 33 -0.002 11.135 -7.691 1.00 0.00 C ATOM 490 CG ASN A 33 1.492 11.133 -8.013 1.00 0.00 C ATOM 491 OD1 ASN A 33 2.014 12.110 -8.547 1.00 0.00 O ATOM 492 ND2 ASN A 33 2.192 10.048 -7.676 1.00 0.00 N ATOM 0 H ASN A 33 -0.653 9.068 -9.222 1.00 0.00 H new ATOM 0 HA ASN A 33 0.011 9.448 -6.363 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.555 11.466 -8.570 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.195 11.861 -6.901 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.195 10.010 -7.860 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.724 9.256 -7.234 1.00 0.00 H new ATOM 499 N ILE A 34 -2.793 8.903 -7.392 1.00 0.00 N ATOM 500 CA ILE A 34 -4.219 8.880 -7.121 1.00 0.00 C ATOM 501 C ILE A 34 -4.510 7.996 -5.912 1.00 0.00 C ATOM 502 O ILE A 34 -3.604 7.653 -5.153 1.00 0.00 O ATOM 503 CB ILE A 34 -5.020 8.344 -8.327 1.00 0.00 C ATOM 504 CG1 ILE A 34 -4.188 8.396 -9.611 1.00 0.00 C ATOM 505 CG2 ILE A 34 -6.321 9.120 -8.486 1.00 0.00 C ATOM 506 CD1 ILE A 34 -5.001 8.297 -10.887 1.00 0.00 C ATOM 0 H ILE A 34 -2.461 8.137 -7.978 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.526 9.907 -6.923 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.264 7.299 -8.137 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.623 9.328 -9.626 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.462 7.583 -9.593 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.875 8.731 -9.340 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.922 9.011 -7.583 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.098 10.175 -8.648 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.334 8.342 -11.748 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.546 7.353 -10.899 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.709 9.125 -10.933 1.00 0.00 H new ATOM 518 N GLU A 35 -5.771 7.615 -5.750 1.00 0.00 N ATOM 519 CA GLU A 35 -6.174 6.752 -4.650 1.00 0.00 C ATOM 520 C GLU A 35 -6.821 5.478 -5.189 1.00 0.00 C ATOM 521 O GLU A 35 -6.838 4.447 -4.515 1.00 0.00 O ATOM 522 CB GLU A 35 -7.139 7.484 -3.718 1.00 0.00 C ATOM 523 CG GLU A 35 -8.414 7.948 -4.403 1.00 0.00 C ATOM 524 CD GLU A 35 -9.355 8.669 -3.456 1.00 0.00 C ATOM 525 OE1 GLU A 35 -9.784 8.051 -2.460 1.00 0.00 O ATOM 526 OE2 GLU A 35 -9.660 9.853 -3.712 1.00 0.00 O ATOM 0 H GLU A 35 -6.533 7.892 -6.369 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.285 6.480 -4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.401 6.825 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.632 8.348 -3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.158 8.611 -5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.926 7.087 -4.832 1.00 0.00 H new ATOM 533 N LYS A 36 -7.343 5.555 -6.409 1.00 0.00 N ATOM 534 CA LYS A 36 -7.978 4.411 -7.044 1.00 0.00 C ATOM 535 C LYS A 36 -6.976 3.637 -7.897 1.00 0.00 C ATOM 536 O LYS A 36 -7.201 2.473 -8.226 1.00 0.00 O ATOM 537 CB LYS A 36 -9.159 4.867 -7.903 1.00 0.00 C ATOM 538 CG LYS A 36 -10.244 5.579 -7.113 1.00 0.00 C ATOM 539 CD LYS A 36 -11.401 5.997 -8.005 1.00 0.00 C ATOM 540 CE LYS A 36 -12.491 6.697 -7.210 1.00 0.00 C ATOM 541 NZ LYS A 36 -13.636 7.104 -8.072 1.00 0.00 N ATOM 0 H LYS A 36 -7.337 6.402 -6.977 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.346 3.749 -6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.794 5.533 -8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.593 3.999 -8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.611 4.923 -6.324 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.823 6.459 -6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.036 6.662 -8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.816 5.119 -8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.848 6.034 -6.422 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.074 7.578 -6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.357 7.578 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.301 7.757 -8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.051 6.261 -8.519 1.00 0.00 H new ATOM 555 N ASP A 37 -5.856 4.279 -8.240 1.00 0.00 N ATOM 556 CA ASP A 37 -4.824 3.633 -9.033 1.00 0.00 C ATOM 557 C ASP A 37 -3.823 2.953 -8.118 1.00 0.00 C ATOM 558 O ASP A 37 -3.229 1.936 -8.473 1.00 0.00 O ATOM 559 CB ASP A 37 -4.123 4.646 -9.939 1.00 0.00 C ATOM 560 CG ASP A 37 -5.057 5.221 -10.984 1.00 0.00 C ATOM 561 OD1 ASP A 37 -6.100 5.789 -10.599 1.00 0.00 O ATOM 562 OD2 ASP A 37 -4.745 5.105 -12.188 1.00 0.00 O ATOM 0 H ASP A 37 -5.647 5.243 -7.979 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.290 2.880 -9.669 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.718 5.455 -9.331 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.279 4.166 -10.434 1.00 0.00 H new ATOM 567 N ILE A 38 -3.670 3.501 -6.919 1.00 0.00 N ATOM 568 CA ILE A 38 -2.776 2.923 -5.936 1.00 0.00 C ATOM 569 C ILE A 38 -3.391 1.632 -5.437 1.00 0.00 C ATOM 570 O ILE A 38 -2.708 0.639 -5.191 1.00 0.00 O ATOM 571 CB ILE A 38 -2.567 3.859 -4.729 1.00 0.00 C ATOM 572 CG1 ILE A 38 -2.258 5.277 -5.197 1.00 0.00 C ATOM 573 CG2 ILE A 38 -1.453 3.334 -3.834 1.00 0.00 C ATOM 574 CD1 ILE A 38 -1.016 5.371 -6.047 1.00 0.00 C ATOM 0 H ILE A 38 -4.154 4.343 -6.609 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.808 2.755 -6.409 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.490 3.885 -4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.107 5.657 -5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.143 5.922 -4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.319 4.007 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.716 2.341 -3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.525 3.278 -4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.856 6.407 -6.345 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.156 5.021 -5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.136 4.752 -6.936 1.00 0.00 H new ATOM 586 N ALA A 39 -4.709 1.660 -5.325 1.00 0.00 N ATOM 587 CA ALA A 39 -5.467 0.506 -4.876 1.00 0.00 C ATOM 588 C ALA A 39 -5.711 -0.436 -6.037 1.00 0.00 C ATOM 589 O ALA A 39 -5.847 -1.642 -5.856 1.00 0.00 O ATOM 590 CB ALA A 39 -6.784 0.942 -4.255 1.00 0.00 C ATOM 0 H ALA A 39 -5.279 2.478 -5.541 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.890 -0.019 -4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.339 0.064 -3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.587 1.590 -3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.372 1.486 -4.994 1.00 0.00 H new ATOM 596 N ALA A 40 -5.740 0.122 -7.237 1.00 0.00 N ATOM 597 CA ALA A 40 -5.944 -0.676 -8.433 1.00 0.00 C ATOM 598 C ALA A 40 -4.620 -1.249 -8.909 1.00 0.00 C ATOM 599 O ALA A 40 -4.580 -2.255 -9.616 1.00 0.00 O ATOM 600 CB ALA A 40 -6.591 0.157 -9.529 1.00 0.00 C ATOM 0 H ALA A 40 -5.625 1.121 -7.407 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.616 -1.500 -8.192 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.735 -0.459 -10.417 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.556 0.527 -9.183 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.946 1.001 -9.774 1.00 0.00 H new ATOM 606 N TYR A 41 -3.530 -0.605 -8.502 1.00 0.00 N ATOM 607 CA TYR A 41 -2.198 -1.054 -8.883 1.00 0.00 C ATOM 608 C TYR A 41 -1.674 -2.075 -7.886 1.00 0.00 C ATOM 609 O TYR A 41 -0.888 -2.953 -8.236 1.00 0.00 O ATOM 610 CB TYR A 41 -1.236 0.132 -8.976 1.00 0.00 C ATOM 611 CG TYR A 41 0.150 -0.248 -9.450 1.00 0.00 C ATOM 612 CD1 TYR A 41 0.339 -0.865 -10.681 1.00 0.00 C ATOM 613 CD2 TYR A 41 1.267 0.010 -8.668 1.00 0.00 C ATOM 614 CE1 TYR A 41 1.602 -1.214 -11.118 1.00 0.00 C ATOM 615 CE2 TYR A 41 2.535 -0.334 -9.097 1.00 0.00 C ATOM 616 CZ TYR A 41 2.696 -0.945 -10.323 1.00 0.00 C ATOM 617 OH TYR A 41 3.957 -1.290 -10.755 1.00 0.00 O ATOM 0 H TYR A 41 -3.544 0.226 -7.911 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.265 -1.525 -9.863 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.653 0.875 -9.656 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.159 0.604 -7.997 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.516 -1.075 -11.306 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.143 0.488 -7.707 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.732 -1.695 -12.076 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.394 -0.126 -8.476 1.00 0.00 H new ATOM 0 HH TYR A 41 4.617 -1.031 -10.078 1.00 0.00 H new ATOM 627 N ILE A 42 -2.132 -1.965 -6.646 1.00 0.00 N ATOM 628 CA ILE A 42 -1.726 -2.889 -5.599 1.00 0.00 C ATOM 629 C ILE A 42 -2.672 -4.079 -5.564 1.00 0.00 C ATOM 630 O ILE A 42 -2.284 -5.188 -5.199 1.00 0.00 O ATOM 631 CB ILE A 42 -1.719 -2.203 -4.220 1.00 0.00 C ATOM 632 CG1 ILE A 42 -0.785 -0.994 -4.232 1.00 0.00 C ATOM 633 CG2 ILE A 42 -1.295 -3.189 -3.140 1.00 0.00 C ATOM 634 CD1 ILE A 42 -1.069 -0.008 -3.121 1.00 0.00 C ATOM 0 H ILE A 42 -2.786 -1.244 -6.342 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.714 -3.226 -5.823 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.729 -1.859 -3.999 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.246 -1.339 -4.148 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.873 -0.485 -5.192 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.295 -2.690 -2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.993 -4.026 -3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.293 -3.559 -3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.370 0.826 -3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.089 0.364 -3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.953 -0.503 -2.157 1.00 0.00 H new ATOM 646 N LYS A 43 -3.910 -3.845 -5.979 1.00 0.00 N ATOM 647 CA LYS A 43 -4.900 -4.908 -6.022 1.00 0.00 C ATOM 648 C LYS A 43 -4.732 -5.694 -7.302 1.00 0.00 C ATOM 649 O LYS A 43 -4.936 -6.907 -7.330 1.00 0.00 O ATOM 650 CB LYS A 43 -6.327 -4.361 -5.919 1.00 0.00 C ATOM 651 CG LYS A 43 -6.692 -3.871 -4.525 1.00 0.00 C ATOM 652 CD LYS A 43 -8.152 -3.451 -4.443 1.00 0.00 C ATOM 653 CE LYS A 43 -8.463 -2.302 -5.388 1.00 0.00 C ATOM 654 NZ LYS A 43 -9.907 -1.939 -5.362 1.00 0.00 N ATOM 0 H LYS A 43 -4.249 -2.934 -6.288 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.740 -5.559 -5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.444 -3.540 -6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.028 -5.141 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.499 -4.661 -3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.055 -3.028 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.789 -4.302 -4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.388 -3.155 -3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.865 -1.433 -5.113 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.176 -2.578 -6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.079 -1.152 -6.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.477 -2.760 -5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.175 -1.651 -4.399 1.00 0.00 H new ATOM 668 N LYS A 44 -4.331 -4.999 -8.362 1.00 0.00 N ATOM 669 CA LYS A 44 -4.109 -5.656 -9.636 1.00 0.00 C ATOM 670 C LYS A 44 -2.751 -6.339 -9.622 1.00 0.00 C ATOM 671 O LYS A 44 -2.576 -7.421 -10.188 1.00 0.00 O ATOM 672 CB LYS A 44 -4.186 -4.651 -10.787 1.00 0.00 C ATOM 673 CG LYS A 44 -4.126 -5.293 -12.163 1.00 0.00 C ATOM 674 CD LYS A 44 -5.327 -6.195 -12.404 1.00 0.00 C ATOM 675 CE LYS A 44 -5.289 -6.814 -13.791 1.00 0.00 C ATOM 676 NZ LYS A 44 -6.487 -7.660 -14.052 1.00 0.00 N ATOM 0 H LYS A 44 -4.156 -3.994 -8.361 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.889 -6.402 -9.789 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.112 -4.083 -10.701 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.366 -3.939 -10.692 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.092 -4.517 -12.928 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.208 -5.873 -12.256 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.347 -6.984 -11.653 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.245 -5.619 -12.286 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.232 -6.024 -14.540 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.388 -7.418 -13.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.327 -8.235 -14.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.654 -8.286 -13.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.317 -7.051 -14.196 1.00 0.00 H new ATOM 690 N GLU A 45 -1.795 -5.709 -8.945 1.00 0.00 N ATOM 691 CA GLU A 45 -0.455 -6.269 -8.838 1.00 0.00 C ATOM 692 C GLU A 45 -0.464 -7.482 -7.919 1.00 0.00 C ATOM 693 O GLU A 45 0.319 -8.416 -8.098 1.00 0.00 O ATOM 694 CB GLU A 45 0.532 -5.222 -8.315 1.00 0.00 C ATOM 695 CG GLU A 45 1.948 -5.750 -8.137 1.00 0.00 C ATOM 696 CD GLU A 45 2.575 -6.204 -9.439 1.00 0.00 C ATOM 697 OE1 GLU A 45 1.912 -6.087 -10.493 1.00 0.00 O ATOM 698 OE2 GLU A 45 3.731 -6.673 -9.410 1.00 0.00 O ATOM 0 H GLU A 45 -1.923 -4.817 -8.466 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.134 -6.579 -9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.552 -4.379 -9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.172 -4.843 -7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.568 -4.971 -7.693 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.934 -6.584 -7.436 1.00 0.00 H new ATOM 705 N PHE A 46 -1.354 -7.462 -6.931 1.00 0.00 N ATOM 706 CA PHE A 46 -1.459 -8.562 -5.985 1.00 0.00 C ATOM 707 C PHE A 46 -2.238 -9.739 -6.555 1.00 0.00 C ATOM 708 O PHE A 46 -1.783 -10.879 -6.480 1.00 0.00 O ATOM 709 CB PHE A 46 -2.091 -8.088 -4.677 1.00 0.00 C ATOM 710 CG PHE A 46 -1.095 -7.526 -3.704 1.00 0.00 C ATOM 711 CD1 PHE A 46 -0.229 -6.513 -4.081 1.00 0.00 C ATOM 712 CD2 PHE A 46 -1.023 -8.018 -2.410 1.00 0.00 C ATOM 713 CE1 PHE A 46 0.690 -6.000 -3.186 1.00 0.00 C ATOM 714 CE2 PHE A 46 -0.107 -7.509 -1.510 1.00 0.00 C ATOM 715 CZ PHE A 46 0.750 -6.499 -1.899 1.00 0.00 C ATOM 0 H PHE A 46 -2.010 -6.698 -6.767 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.446 -8.910 -5.785 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.840 -7.328 -4.898 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.613 -8.924 -4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.273 -6.120 -5.086 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.691 -8.809 -2.102 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.360 -5.210 -3.492 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.061 -7.900 -0.504 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.467 -6.099 -1.197 1.00 0.00 H new ATOM 725 N ASP A 47 -3.411 -9.480 -7.119 1.00 0.00 N ATOM 726 CA ASP A 47 -4.216 -10.559 -7.679 1.00 0.00 C ATOM 727 C ASP A 47 -3.486 -11.227 -8.841 1.00 0.00 C ATOM 728 O ASP A 47 -3.649 -12.423 -9.080 1.00 0.00 O ATOM 729 CB ASP A 47 -5.594 -10.061 -8.124 1.00 0.00 C ATOM 730 CG ASP A 47 -5.531 -9.080 -9.276 1.00 0.00 C ATOM 731 OD1 ASP A 47 -4.914 -9.416 -10.308 1.00 0.00 O ATOM 732 OD2 ASP A 47 -6.118 -7.986 -9.155 1.00 0.00 O ATOM 0 H ASP A 47 -3.821 -8.550 -7.201 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.370 -11.298 -6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.205 -10.915 -8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.092 -9.587 -7.278 1.00 0.00 H new ATOM 737 N LYS A 48 -2.671 -10.454 -9.557 1.00 0.00 N ATOM 738 CA LYS A 48 -1.914 -10.995 -10.683 1.00 0.00 C ATOM 739 C LYS A 48 -0.631 -11.688 -10.217 1.00 0.00 C ATOM 740 O LYS A 48 0.147 -12.170 -11.038 1.00 0.00 O ATOM 741 CB LYS A 48 -1.567 -9.892 -11.689 1.00 0.00 C ATOM 742 CG LYS A 48 -2.744 -9.440 -12.538 1.00 0.00 C ATOM 743 CD LYS A 48 -3.360 -10.606 -13.300 1.00 0.00 C ATOM 744 CE LYS A 48 -4.436 -10.140 -14.267 1.00 0.00 C ATOM 745 NZ LYS A 48 -3.878 -9.303 -15.366 1.00 0.00 N ATOM 0 H LYS A 48 -2.519 -9.461 -9.380 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.549 -11.736 -11.170 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.170 -9.033 -11.148 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.774 -10.249 -12.346 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.499 -8.981 -11.900 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.414 -8.676 -13.243 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.581 -11.134 -13.850 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.789 -11.317 -12.593 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.940 -11.007 -14.693 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.189 -9.569 -13.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.650 -8.789 -15.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.198 -8.621 -14.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.396 -9.913 -16.057 1.00 0.00 H new ATOM 759 N LYS A 49 -0.410 -11.739 -8.902 1.00 0.00 N ATOM 760 CA LYS A 49 0.788 -12.382 -8.368 1.00 0.00 C ATOM 761 C LYS A 49 0.565 -12.919 -6.958 1.00 0.00 C ATOM 762 O LYS A 49 1.515 -13.102 -6.198 1.00 0.00 O ATOM 763 CB LYS A 49 1.966 -11.404 -8.375 1.00 0.00 C ATOM 764 CG LYS A 49 2.319 -10.882 -9.759 1.00 0.00 C ATOM 765 CD LYS A 49 3.498 -9.925 -9.709 1.00 0.00 C ATOM 766 CE LYS A 49 3.846 -9.398 -11.091 1.00 0.00 C ATOM 767 NZ LYS A 49 4.998 -8.454 -11.053 1.00 0.00 N ATOM 0 H LYS A 49 -1.036 -11.348 -8.198 1.00 0.00 H new ATOM 0 HA LYS A 49 1.018 -13.229 -9.014 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.730 -10.560 -7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.839 -11.898 -7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.556 -11.719 -10.415 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.455 -10.375 -10.189 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.263 -9.090 -9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.363 -10.434 -9.284 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.084 -10.234 -11.749 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.978 -8.894 -11.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.192 -8.105 -12.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.769 -7.652 -10.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.838 -8.946 -10.687 1.00 0.00 H new ATOM 781 N TYR A 50 -0.692 -13.183 -6.622 1.00 0.00 N ATOM 782 CA TYR A 50 -1.047 -13.714 -5.305 1.00 0.00 C ATOM 783 C TYR A 50 -2.452 -14.324 -5.294 1.00 0.00 C ATOM 784 O TYR A 50 -3.012 -14.575 -4.228 1.00 0.00 O ATOM 785 CB TYR A 50 -0.950 -12.630 -4.228 1.00 0.00 C ATOM 786 CG TYR A 50 0.464 -12.181 -3.930 1.00 0.00 C ATOM 787 CD1 TYR A 50 1.420 -13.083 -3.479 1.00 0.00 C ATOM 788 CD2 TYR A 50 0.843 -10.855 -4.097 1.00 0.00 C ATOM 789 CE1 TYR A 50 2.711 -12.676 -3.203 1.00 0.00 C ATOM 790 CE2 TYR A 50 2.132 -10.439 -3.823 1.00 0.00 C ATOM 791 CZ TYR A 50 3.062 -11.355 -3.378 1.00 0.00 C ATOM 792 OH TYR A 50 4.347 -10.946 -3.105 1.00 0.00 O ATOM 0 H TYR A 50 -1.488 -13.038 -7.244 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.329 -14.504 -5.083 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.535 -11.766 -4.543 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.402 -13.004 -3.309 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.149 -14.119 -3.342 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.117 -10.136 -4.447 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.442 -13.390 -2.852 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.409 -9.404 -3.956 1.00 0.00 H new ATOM 0 HH TYR A 50 4.429 -9.985 -3.281 1.00 0.00 H new ATOM 802 N ASN A 51 -3.015 -14.568 -6.481 1.00 0.00 N ATOM 803 CA ASN A 51 -4.344 -15.157 -6.609 1.00 0.00 C ATOM 804 C ASN A 51 -5.428 -14.123 -6.324 1.00 0.00 C ATOM 805 O ASN A 51 -5.299 -13.313 -5.406 1.00 0.00 O ATOM 806 CB ASN A 51 -4.503 -16.364 -5.677 1.00 0.00 C ATOM 807 CG ASN A 51 -3.433 -17.434 -5.879 1.00 0.00 C ATOM 808 OD1 ASN A 51 -3.436 -18.451 -5.188 1.00 0.00 O ATOM 809 ND2 ASN A 51 -2.513 -17.219 -6.822 1.00 0.00 N ATOM 0 H ASN A 51 -2.563 -14.363 -7.372 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.456 -15.500 -7.637 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.472 -16.021 -4.643 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.485 -16.809 -5.836 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.782 -17.910 -6.988 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.541 -16.363 -7.377 1.00 0.00 H new ATOM 816 N PRO A 52 -6.510 -14.129 -7.120 1.00 0.00 N ATOM 817 CA PRO A 52 -7.611 -13.178 -6.955 1.00 0.00 C ATOM 818 C PRO A 52 -8.511 -13.513 -5.759 1.00 0.00 C ATOM 819 O PRO A 52 -8.910 -14.664 -5.581 1.00 0.00 O ATOM 820 CB PRO A 52 -8.388 -13.314 -8.264 1.00 0.00 C ATOM 821 CG PRO A 52 -8.132 -14.710 -8.713 1.00 0.00 C ATOM 822 CD PRO A 52 -6.739 -15.051 -8.250 1.00 0.00 C ATOM 0 HA PRO A 52 -7.249 -12.169 -6.755 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.453 -13.136 -8.113 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.046 -12.591 -9.004 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.863 -15.397 -8.286 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.213 -14.791 -9.797 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.665 -16.093 -7.938 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.006 -14.902 -9.043 1.00 0.00 H new ATOM 830 N THR A 53 -8.832 -12.503 -4.943 1.00 0.00 N ATOM 831 CA THR A 53 -8.351 -11.154 -5.169 1.00 0.00 C ATOM 832 C THR A 53 -8.207 -10.413 -3.861 1.00 0.00 C ATOM 833 O THR A 53 -8.919 -10.676 -2.894 1.00 0.00 O ATOM 834 CB THR A 53 -9.291 -10.397 -6.085 1.00 0.00 C ATOM 835 OG1 THR A 53 -9.757 -11.230 -7.132 1.00 0.00 O ATOM 836 CG2 THR A 53 -8.641 -9.191 -6.722 1.00 0.00 C ATOM 0 H THR A 53 -9.426 -12.605 -4.120 1.00 0.00 H new ATOM 0 HA THR A 53 -7.373 -11.222 -5.645 1.00 0.00 H new ATOM 0 HB THR A 53 -10.114 -10.067 -5.451 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.363 -10.721 -7.710 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.361 -8.688 -7.367 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.308 -8.504 -5.944 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.784 -9.510 -7.315 1.00 0.00 H new ATOM 844 N TRP A 54 -7.271 -9.496 -3.840 1.00 0.00 N ATOM 845 CA TRP A 54 -7.001 -8.720 -2.644 1.00 0.00 C ATOM 846 C TRP A 54 -7.717 -7.382 -2.658 1.00 0.00 C ATOM 847 O TRP A 54 -7.878 -6.753 -3.704 1.00 0.00 O ATOM 848 CB TRP A 54 -5.501 -8.536 -2.480 1.00 0.00 C ATOM 849 CG TRP A 54 -4.791 -9.845 -2.466 1.00 0.00 C ATOM 850 CD1 TRP A 54 -4.310 -10.537 -3.539 1.00 0.00 C ATOM 851 CD2 TRP A 54 -4.543 -10.656 -1.319 1.00 0.00 C ATOM 852 NE1 TRP A 54 -3.745 -11.716 -3.122 1.00 0.00 N ATOM 853 CE2 TRP A 54 -3.876 -11.812 -1.759 1.00 0.00 C ATOM 854 CE3 TRP A 54 -4.811 -10.501 0.040 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -3.472 -12.815 -0.880 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -4.414 -11.494 0.914 1.00 0.00 C ATOM 857 CH2 TRP A 54 -3.748 -12.639 0.451 1.00 0.00 C ATOM 0 H TRP A 54 -6.679 -9.265 -4.638 1.00 0.00 H new ATOM 0 HA TRP A 54 -7.389 -9.272 -1.788 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.117 -7.921 -3.294 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.298 -8.000 -1.553 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.366 -10.206 -4.565 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.301 -12.408 -3.726 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -5.320 -9.620 0.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.961 -13.698 -1.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.619 -11.388 1.969 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.447 -13.398 1.158 1.00 0.00 H new ATOM 868 N HIS A 55 -8.155 -6.963 -1.478 1.00 0.00 N ATOM 869 CA HIS A 55 -8.872 -5.704 -1.331 1.00 0.00 C ATOM 870 C HIS A 55 -7.978 -4.626 -0.726 1.00 0.00 C ATOM 871 O HIS A 55 -8.386 -3.910 0.188 1.00 0.00 O ATOM 872 CB HIS A 55 -10.114 -5.905 -0.462 1.00 0.00 C ATOM 873 CG HIS A 55 -11.102 -6.867 -1.048 1.00 0.00 C ATOM 874 ND1 HIS A 55 -10.800 -8.185 -1.319 1.00 0.00 N ATOM 875 CD2 HIS A 55 -12.395 -6.696 -1.414 1.00 0.00 C ATOM 876 CE1 HIS A 55 -11.863 -8.784 -1.827 1.00 0.00 C ATOM 877 NE2 HIS A 55 -12.844 -7.902 -1.894 1.00 0.00 N ATOM 0 H HIS A 55 -8.026 -7.478 -0.607 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.178 -5.372 -2.323 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -9.807 -6.265 0.520 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.602 -4.942 -0.310 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -12.966 -5.782 -1.342 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.920 -9.818 -2.135 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -13.784 -8.087 -2.246 1.00 0.00 H new ATOM 886 N CYS A 56 -6.761 -4.509 -1.244 1.00 0.00 N ATOM 887 CA CYS A 56 -5.821 -3.509 -0.753 1.00 0.00 C ATOM 888 C CYS A 56 -6.286 -2.107 -1.128 1.00 0.00 C ATOM 889 O CYS A 56 -6.051 -1.639 -2.242 1.00 0.00 O ATOM 890 CB CYS A 56 -4.423 -3.763 -1.317 1.00 0.00 C ATOM 891 SG CYS A 56 -3.164 -2.632 -0.683 1.00 0.00 S ATOM 0 H CYS A 56 -6.403 -5.092 -2.001 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.780 -3.586 0.333 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.128 -4.787 -1.085 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.459 -3.680 -2.403 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.140 -3.314 -0.262 1.00 0.00 H new ATOM 897 N ILE A 57 -6.948 -1.444 -0.188 1.00 0.00 N ATOM 898 CA ILE A 57 -7.451 -0.098 -0.408 1.00 0.00 C ATOM 899 C ILE A 57 -6.570 0.919 0.297 1.00 0.00 C ATOM 900 O ILE A 57 -5.785 0.566 1.178 1.00 0.00 O ATOM 901 CB ILE A 57 -8.896 0.045 0.106 1.00 0.00 C ATOM 902 CG1 ILE A 57 -9.779 -1.045 -0.505 1.00 0.00 C ATOM 903 CG2 ILE A 57 -9.447 1.429 -0.215 1.00 0.00 C ATOM 904 CD1 ILE A 57 -11.246 -0.907 -0.159 1.00 0.00 C ATOM 0 H ILE A 57 -7.149 -1.821 0.738 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.437 0.087 -1.482 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.895 -0.073 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -9.667 -1.025 -1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.425 -2.019 -0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.469 1.509 0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.827 2.187 0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -9.440 1.582 -1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.808 -1.715 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -11.371 -0.958 0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.617 0.051 -0.522 1.00 0.00 H new ATOM 916 N VAL A 58 -6.699 2.178 -0.088 1.00 0.00 N ATOM 917 CA VAL A 58 -5.905 3.235 0.518 1.00 0.00 C ATOM 918 C VAL A 58 -6.800 4.362 1.029 1.00 0.00 C ATOM 919 O VAL A 58 -7.804 4.697 0.400 1.00 0.00 O ATOM 920 CB VAL A 58 -4.894 3.823 -0.488 1.00 0.00 C ATOM 921 CG1 VAL A 58 -3.920 4.757 0.213 1.00 0.00 C ATOM 922 CG2 VAL A 58 -4.155 2.715 -1.228 1.00 0.00 C ATOM 0 H VAL A 58 -7.343 2.493 -0.814 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.363 2.789 1.352 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.447 4.404 -1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.216 5.161 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.471 5.575 0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.375 4.206 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.448 3.156 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.615 2.096 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.872 2.100 -1.772 1.00 0.00 H new ATOM 932 N GLY A 59 -6.431 4.948 2.163 1.00 0.00 N ATOM 933 CA GLY A 59 -7.218 6.033 2.722 1.00 0.00 C ATOM 934 C GLY A 59 -6.436 6.855 3.723 1.00 0.00 C ATOM 935 O GLY A 59 -5.224 6.996 3.603 1.00 0.00 O ATOM 0 H GLY A 59 -5.605 4.693 2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.564 6.680 1.916 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.105 5.624 3.206 1.00 0.00 H new ATOM 939 N ARG A 60 -7.131 7.395 4.715 1.00 0.00 N ATOM 940 CA ARG A 60 -6.489 8.203 5.745 1.00 0.00 C ATOM 941 C ARG A 60 -7.255 8.096 7.058 1.00 0.00 C ATOM 942 O ARG A 60 -6.843 7.387 7.975 1.00 0.00 O ATOM 943 CB ARG A 60 -6.402 9.667 5.300 1.00 0.00 C ATOM 944 CG ARG A 60 -5.613 9.868 4.016 1.00 0.00 C ATOM 945 CD ARG A 60 -5.554 11.336 3.624 1.00 0.00 C ATOM 946 NE ARG A 60 -6.882 11.897 3.389 1.00 0.00 N ATOM 947 CZ ARG A 60 -7.678 11.531 2.386 1.00 0.00 C ATOM 948 NH1 ARG A 60 -7.268 10.636 1.495 1.00 0.00 N ATOM 949 NH2 ARG A 60 -8.882 12.072 2.265 1.00 0.00 N ATOM 0 H ARG A 60 -8.139 7.289 4.829 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.478 7.826 5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.411 10.056 5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -5.941 10.253 6.095 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.601 9.484 4.145 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.072 9.293 3.212 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.057 11.901 4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.950 11.446 2.723 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.220 12.613 4.032 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.338 10.224 1.576 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.883 10.360 0.729 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.198 12.768 2.940 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.492 11.792 1.497 1.00 0.00 H new ATOM 963 N SER A 61 -8.375 8.798 7.131 1.00 0.00 N ATOM 964 CA SER A 61 -9.215 8.783 8.322 1.00 0.00 C ATOM 965 C SER A 61 -10.679 8.567 7.947 1.00 0.00 C ATOM 966 O SER A 61 -11.566 9.272 8.428 1.00 0.00 O ATOM 967 CB SER A 61 -9.059 10.092 9.099 1.00 0.00 C ATOM 968 OG SER A 61 -9.868 10.093 10.262 1.00 0.00 O ATOM 0 H SER A 61 -8.726 9.388 6.377 1.00 0.00 H new ATOM 0 HA SER A 61 -8.895 7.956 8.956 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.015 10.231 9.378 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.333 10.932 8.461 1.00 0.00 H new ATOM 0 HG SER A 61 -10.801 9.925 10.012 1.00 0.00 H new ATOM 974 N GLY A 62 -10.923 7.587 7.082 1.00 0.00 N ATOM 975 CA GLY A 62 -12.278 7.292 6.653 1.00 0.00 C ATOM 976 C GLY A 62 -12.937 6.203 7.479 1.00 0.00 C ATOM 977 O GLY A 62 -13.991 5.688 7.107 1.00 0.00 O ATOM 0 H GLY A 62 -10.205 6.991 6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -12.878 8.200 6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -12.264 6.988 5.606 1.00 0.00 H new ATOM 981 N ASN A 63 -12.315 5.847 8.599 1.00 0.00 N ATOM 982 CA ASN A 63 -12.851 4.812 9.473 1.00 0.00 C ATOM 983 C ASN A 63 -12.987 3.502 8.734 1.00 0.00 C ATOM 984 O ASN A 63 -14.085 3.008 8.476 1.00 0.00 O ATOM 985 CB ASN A 63 -14.175 5.259 10.079 1.00 0.00 C ATOM 986 CG ASN A 63 -13.978 6.413 11.043 1.00 0.00 C ATOM 987 OD1 ASN A 63 -14.940 6.971 11.570 1.00 0.00 O ATOM 988 ND2 ASN A 63 -12.714 6.770 11.288 1.00 0.00 N ATOM 0 H ASN A 63 -11.440 6.260 8.921 1.00 0.00 H new ATOM 0 HA ASN A 63 -12.150 4.650 10.292 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -14.858 5.559 9.284 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.640 4.422 10.600 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.516 7.533 11.935 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.947 6.279 10.828 1.00 0.00 H new ATOM 995 N PHE A 64 -11.834 2.953 8.405 1.00 0.00 N ATOM 996 CA PHE A 64 -11.751 1.685 7.691 1.00 0.00 C ATOM 997 C PHE A 64 -10.670 0.788 8.283 1.00 0.00 C ATOM 998 O PHE A 64 -10.126 -0.080 7.600 1.00 0.00 O ATOM 999 CB PHE A 64 -11.488 1.932 6.202 1.00 0.00 C ATOM 1000 CG PHE A 64 -10.306 2.820 5.934 1.00 0.00 C ATOM 1001 CD1 PHE A 64 -9.018 2.402 6.232 1.00 0.00 C ATOM 1002 CD2 PHE A 64 -10.485 4.079 5.385 1.00 0.00 C ATOM 1003 CE1 PHE A 64 -7.934 3.222 5.989 1.00 0.00 C ATOM 1004 CE2 PHE A 64 -9.405 4.905 5.140 1.00 0.00 C ATOM 1005 CZ PHE A 64 -8.129 4.475 5.442 1.00 0.00 C ATOM 0 H PHE A 64 -10.928 3.369 8.622 1.00 0.00 H new ATOM 0 HA PHE A 64 -12.706 1.172 7.800 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.331 0.974 5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -12.376 2.380 5.755 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -8.861 1.423 6.660 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -11.482 4.419 5.145 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.936 2.884 6.226 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.559 5.885 4.713 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.283 5.118 5.251 1.00 0.00 H new ATOM 1015 N GLY A 65 -10.369 0.995 9.561 1.00 0.00 N ATOM 1016 CA GLY A 65 -9.362 0.192 10.225 1.00 0.00 C ATOM 1017 C GLY A 65 -9.942 -1.052 10.869 1.00 0.00 C ATOM 1018 O GLY A 65 -9.269 -2.077 10.975 1.00 0.00 O ATOM 0 H GLY A 65 -10.806 1.706 10.148 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.600 -0.099 9.502 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.866 0.794 10.987 1.00 0.00 H new ATOM 1022 N SER A 66 -11.197 -0.963 11.303 1.00 0.00 N ATOM 1023 CA SER A 66 -11.866 -2.088 11.940 1.00 0.00 C ATOM 1024 C SER A 66 -12.823 -2.777 10.973 1.00 0.00 C ATOM 1025 O SER A 66 -13.826 -3.360 11.385 1.00 0.00 O ATOM 1026 CB SER A 66 -12.625 -1.621 13.183 1.00 0.00 C ATOM 1027 OG SER A 66 -13.606 -0.655 12.849 1.00 0.00 O ATOM 0 H SER A 66 -11.769 -0.122 11.224 1.00 0.00 H new ATOM 0 HA SER A 66 -11.103 -2.807 12.237 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.101 -2.475 13.665 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.924 -1.198 13.903 1.00 0.00 H new ATOM 0 HG SER A 66 -14.078 -0.374 13.661 1.00 0.00 H new ATOM 1033 N TYR A 67 -12.504 -2.704 9.687 1.00 0.00 N ATOM 1034 CA TYR A 67 -13.331 -3.320 8.655 1.00 0.00 C ATOM 1035 C TYR A 67 -12.514 -4.277 7.786 1.00 0.00 C ATOM 1036 O TYR A 67 -13.073 -5.134 7.101 1.00 0.00 O ATOM 1037 CB TYR A 67 -13.977 -2.243 7.782 1.00 0.00 C ATOM 1038 CG TYR A 67 -14.863 -2.796 6.690 1.00 0.00 C ATOM 1039 CD1 TYR A 67 -15.968 -3.580 6.995 1.00 0.00 C ATOM 1040 CD2 TYR A 67 -14.596 -2.534 5.352 1.00 0.00 C ATOM 1041 CE1 TYR A 67 -16.782 -4.088 6.000 1.00 0.00 C ATOM 1042 CE2 TYR A 67 -15.406 -3.037 4.350 1.00 0.00 C ATOM 1043 CZ TYR A 67 -16.496 -3.813 4.679 1.00 0.00 C ATOM 1044 OH TYR A 67 -17.303 -4.317 3.686 1.00 0.00 O ATOM 0 H TYR A 67 -11.677 -2.224 9.332 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.112 -3.896 9.152 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -14.567 -1.580 8.415 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.193 -1.637 7.329 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -16.195 -3.797 8.028 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -13.742 -1.927 5.090 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -17.637 -4.697 6.255 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -15.185 -2.823 3.315 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.965 -4.030 2.812 1.00 0.00 H new ATOM 1054 N VAL A 68 -11.192 -4.126 7.817 1.00 0.00 N ATOM 1055 CA VAL A 68 -10.299 -4.975 7.034 1.00 0.00 C ATOM 1056 C VAL A 68 -10.635 -6.454 7.214 1.00 0.00 C ATOM 1057 O VAL A 68 -10.382 -7.272 6.329 1.00 0.00 O ATOM 1058 CB VAL A 68 -8.828 -4.750 7.428 1.00 0.00 C ATOM 1059 CG1 VAL A 68 -7.897 -5.514 6.500 1.00 0.00 C ATOM 1060 CG2 VAL A 68 -8.497 -3.266 7.432 1.00 0.00 C ATOM 0 H VAL A 68 -10.715 -3.421 8.378 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.441 -4.699 5.989 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.681 -5.133 8.438 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.863 -5.340 6.798 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.117 -6.580 6.560 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.042 -5.171 5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.453 -3.127 7.713 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.663 -2.853 6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.137 -2.752 8.149 1.00 0.00 H new ATOM 1070 N THR A 69 -11.205 -6.789 8.366 1.00 0.00 N ATOM 1071 CA THR A 69 -11.574 -8.166 8.667 1.00 0.00 C ATOM 1072 C THR A 69 -12.634 -8.670 7.708 1.00 0.00 C ATOM 1073 O THR A 69 -12.401 -9.604 6.942 1.00 0.00 O ATOM 1074 CB THR A 69 -12.076 -8.274 10.108 1.00 0.00 C ATOM 1075 OG1 THR A 69 -11.098 -7.802 11.017 1.00 0.00 O ATOM 1076 CG2 THR A 69 -12.432 -9.687 10.516 1.00 0.00 C ATOM 0 H THR A 69 -11.422 -6.124 9.108 1.00 0.00 H new ATOM 0 HA THR A 69 -10.686 -8.787 8.549 1.00 0.00 H new ATOM 0 HB THR A 69 -12.978 -7.664 10.143 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.439 -7.878 11.933 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.780 -9.691 11.549 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.221 -10.066 9.866 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.552 -10.324 10.428 1.00 0.00 H new ATOM 1084 N HIS A 70 -13.809 -8.067 7.769 1.00 0.00 N ATOM 1085 CA HIS A 70 -14.917 -8.475 6.913 1.00 0.00 C ATOM 1086 C HIS A 70 -15.171 -9.981 7.036 1.00 0.00 C ATOM 1087 O HIS A 70 -15.874 -10.568 6.214 1.00 0.00 O ATOM 1088 CB HIS A 70 -14.628 -8.111 5.456 1.00 0.00 C ATOM 1089 CG HIS A 70 -15.755 -8.431 4.524 1.00 0.00 C ATOM 1090 ND1 HIS A 70 -17.011 -7.869 4.641 1.00 0.00 N ATOM 1091 CD2 HIS A 70 -15.816 -9.260 3.455 1.00 0.00 C ATOM 1092 CE1 HIS A 70 -17.791 -8.341 3.686 1.00 0.00 C ATOM 1093 NE2 HIS A 70 -17.091 -9.186 2.953 1.00 0.00 N ATOM 0 H HIS A 70 -14.023 -7.295 8.400 1.00 0.00 H new ATOM 0 HA HIS A 70 -15.811 -7.944 7.239 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -14.407 -7.045 5.393 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -13.734 -8.642 5.128 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -15.010 -9.867 3.069 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -18.827 -8.080 3.531 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -17.441 -9.701 2.145 1.00 0.00 H new ATOM 1102 N GLU A 71 -14.593 -10.599 8.070 1.00 0.00 N ATOM 1103 CA GLU A 71 -14.750 -12.030 8.313 1.00 0.00 C ATOM 1104 C GLU A 71 -14.003 -12.862 7.271 1.00 0.00 C ATOM 1105 O GLU A 71 -14.488 -13.908 6.840 1.00 0.00 O ATOM 1106 CB GLU A 71 -16.232 -12.416 8.325 1.00 0.00 C ATOM 1107 CG GLU A 71 -17.048 -11.660 9.360 1.00 0.00 C ATOM 1108 CD GLU A 71 -18.511 -12.058 9.355 1.00 0.00 C ATOM 1109 OE1 GLU A 71 -18.803 -13.250 9.590 1.00 0.00 O ATOM 1110 OE2 GLU A 71 -19.365 -11.179 9.115 1.00 0.00 O ATOM 0 H GLU A 71 -14.008 -10.123 8.756 1.00 0.00 H new ATOM 0 HA GLU A 71 -14.318 -12.244 9.291 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -16.655 -12.233 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -16.319 -13.486 8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -16.630 -11.841 10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.966 -10.590 9.171 1.00 0.00 H new ATOM 1117 N THR A 72 -12.816 -12.404 6.875 1.00 0.00 N ATOM 1118 CA THR A 72 -12.017 -13.126 5.894 1.00 0.00 C ATOM 1119 C THR A 72 -11.124 -14.173 6.579 1.00 0.00 C ATOM 1120 O THR A 72 -11.623 -15.189 7.064 1.00 0.00 O ATOM 1121 CB THR A 72 -11.193 -12.143 5.052 1.00 0.00 C ATOM 1122 OG1 THR A 72 -10.262 -12.836 4.242 1.00 0.00 O ATOM 1123 CG2 THR A 72 -10.424 -11.124 5.869 1.00 0.00 C ATOM 0 H THR A 72 -12.391 -11.542 7.217 1.00 0.00 H new ATOM 0 HA THR A 72 -12.688 -13.662 5.222 1.00 0.00 H new ATOM 0 HB THR A 72 -11.927 -11.608 4.450 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.085 -12.317 3.430 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.868 -10.467 5.201 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.121 -10.532 6.462 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.729 -11.639 6.532 1.00 0.00 H new ATOM 1131 N LYS A 73 -9.814 -13.930 6.625 1.00 0.00 N ATOM 1132 CA LYS A 73 -8.881 -14.856 7.255 1.00 0.00 C ATOM 1133 C LYS A 73 -7.509 -14.208 7.395 1.00 0.00 C ATOM 1134 O LYS A 73 -7.107 -13.806 8.488 1.00 0.00 O ATOM 1135 CB LYS A 73 -8.777 -16.145 6.435 1.00 0.00 C ATOM 1136 CG LYS A 73 -8.957 -17.402 7.268 1.00 0.00 C ATOM 1137 CD LYS A 73 -10.326 -17.430 7.926 1.00 0.00 C ATOM 1138 CE LYS A 73 -10.504 -18.667 8.790 1.00 0.00 C ATOM 1139 NZ LYS A 73 -9.489 -18.738 9.881 1.00 0.00 N ATOM 0 H LYS A 73 -9.377 -13.097 6.232 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.253 -15.104 8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.530 -16.128 5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.804 -16.178 5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.836 -18.282 6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.181 -17.450 8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.455 -16.537 8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.100 -17.406 7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.504 -18.665 9.225 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.429 -19.558 8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.959 -18.980 10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.784 -19.467 9.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.016 -17.817 9.976 1.00 0.00 H new ATOM 1153 N HIS A 74 -6.803 -14.094 6.279 1.00 0.00 N ATOM 1154 CA HIS A 74 -5.483 -13.477 6.259 1.00 0.00 C ATOM 1155 C HIS A 74 -5.579 -12.078 5.666 1.00 0.00 C ATOM 1156 O HIS A 74 -6.225 -11.880 4.638 1.00 0.00 O ATOM 1157 CB HIS A 74 -4.505 -14.328 5.449 1.00 0.00 C ATOM 1158 CG HIS A 74 -4.330 -15.714 5.987 1.00 0.00 C ATOM 1159 ND1 HIS A 74 -3.862 -15.974 7.258 1.00 0.00 N ATOM 1160 CD2 HIS A 74 -4.562 -16.921 5.419 1.00 0.00 C ATOM 1161 CE1 HIS A 74 -3.813 -17.282 7.449 1.00 0.00 C ATOM 1162 NE2 HIS A 74 -4.235 -17.877 6.349 1.00 0.00 N ATOM 0 H HIS A 74 -7.125 -14.423 5.369 1.00 0.00 H new ATOM 0 HA HIS A 74 -5.111 -13.408 7.281 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -4.856 -14.389 4.419 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.535 -13.831 5.427 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.935 -17.099 4.421 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -3.484 -17.778 8.350 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -4.307 -18.885 6.212 1.00 0.00 H new ATOM 1171 N PHE A 75 -4.953 -11.104 6.318 1.00 0.00 N ATOM 1172 CA PHE A 75 -5.006 -9.732 5.834 1.00 0.00 C ATOM 1173 C PHE A 75 -3.923 -8.858 6.455 1.00 0.00 C ATOM 1174 O PHE A 75 -3.110 -9.320 7.255 1.00 0.00 O ATOM 1175 CB PHE A 75 -6.381 -9.133 6.129 1.00 0.00 C ATOM 1176 CG PHE A 75 -6.770 -9.197 7.580 1.00 0.00 C ATOM 1177 CD1 PHE A 75 -6.064 -8.482 8.538 1.00 0.00 C ATOM 1178 CD2 PHE A 75 -7.840 -9.976 7.988 1.00 0.00 C ATOM 1179 CE1 PHE A 75 -6.420 -8.545 9.871 1.00 0.00 C ATOM 1180 CE2 PHE A 75 -8.201 -10.043 9.321 1.00 0.00 C ATOM 1181 CZ PHE A 75 -7.489 -9.327 10.264 1.00 0.00 C ATOM 0 H PHE A 75 -4.410 -11.237 7.171 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.830 -9.758 4.759 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.391 -8.092 5.805 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.131 -9.658 5.538 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.227 -7.869 8.237 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.400 -10.538 7.255 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.863 -7.983 10.606 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.038 -10.654 9.625 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.768 -9.379 11.306 1.00 0.00 H new ATOM 1191 N ILE A 76 -3.934 -7.586 6.073 1.00 0.00 N ATOM 1192 CA ILE A 76 -2.973 -6.614 6.575 1.00 0.00 C ATOM 1193 C ILE A 76 -3.583 -5.220 6.614 1.00 0.00 C ATOM 1194 O ILE A 76 -4.569 -4.931 5.935 1.00 0.00 O ATOM 1195 CB ILE A 76 -1.685 -6.593 5.719 1.00 0.00 C ATOM 1196 CG1 ILE A 76 -0.784 -5.408 6.087 1.00 0.00 C ATOM 1197 CG2 ILE A 76 -2.023 -6.566 4.237 1.00 0.00 C ATOM 1198 CD1 ILE A 76 0.504 -5.360 5.296 1.00 0.00 C ATOM 0 H ILE A 76 -4.607 -7.202 5.409 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.708 -6.918 7.588 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.134 -7.509 5.933 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.334 -4.481 5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.547 -5.459 7.150 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.102 -6.552 3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.602 -7.453 3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.608 -5.674 4.013 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.091 -4.497 5.609 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.075 -6.271 5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.276 -5.278 4.233 1.00 0.00 H new ATOM 1210 N TYR A 77 -2.982 -4.367 7.423 1.00 0.00 N ATOM 1211 CA TYR A 77 -3.438 -2.990 7.585 1.00 0.00 C ATOM 1212 C TYR A 77 -2.308 -2.133 8.134 1.00 0.00 C ATOM 1213 O TYR A 77 -1.845 -2.348 9.254 1.00 0.00 O ATOM 1214 CB TYR A 77 -4.647 -2.952 8.523 1.00 0.00 C ATOM 1215 CG TYR A 77 -5.245 -1.577 8.710 1.00 0.00 C ATOM 1216 CD1 TYR A 77 -5.644 -0.819 7.618 1.00 0.00 C ATOM 1217 CD2 TYR A 77 -5.424 -1.044 9.980 1.00 0.00 C ATOM 1218 CE1 TYR A 77 -6.204 0.434 7.785 1.00 0.00 C ATOM 1219 CE2 TYR A 77 -5.981 0.209 10.156 1.00 0.00 C ATOM 1220 CZ TYR A 77 -6.370 0.944 9.057 1.00 0.00 C ATOM 1221 OH TYR A 77 -6.928 2.190 9.230 1.00 0.00 O ATOM 0 H TYR A 77 -2.166 -4.604 7.987 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.736 -2.591 6.616 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -5.415 -3.620 8.134 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.349 -3.342 9.497 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.515 -1.214 6.621 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.123 -1.618 10.844 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.510 1.011 6.925 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.111 0.610 11.150 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.229 2.537 8.364 1.00 0.00 H new ATOM 1231 N PHE A 78 -1.845 -1.176 7.335 1.00 0.00 N ATOM 1232 CA PHE A 78 -0.738 -0.318 7.765 1.00 0.00 C ATOM 1233 C PHE A 78 -1.024 1.164 7.543 1.00 0.00 C ATOM 1234 O PHE A 78 -1.986 1.534 6.868 1.00 0.00 O ATOM 1235 CB PHE A 78 0.559 -0.717 7.053 1.00 0.00 C ATOM 1236 CG PHE A 78 0.525 -0.551 5.559 1.00 0.00 C ATOM 1237 CD1 PHE A 78 0.479 0.710 4.988 1.00 0.00 C ATOM 1238 CD2 PHE A 78 0.549 -1.659 4.728 1.00 0.00 C ATOM 1239 CE1 PHE A 78 0.456 0.862 3.615 1.00 0.00 C ATOM 1240 CE2 PHE A 78 0.525 -1.513 3.354 1.00 0.00 C ATOM 1241 CZ PHE A 78 0.480 -0.250 2.797 1.00 0.00 C ATOM 0 H PHE A 78 -2.208 -0.975 6.403 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.623 -0.467 8.839 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.378 -0.119 7.454 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.781 -1.759 7.285 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.461 1.584 5.623 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.587 -2.649 5.159 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.419 1.851 3.182 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.541 -2.385 2.717 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.464 -0.132 1.724 1.00 0.00 H new ATOM 1251 N TYR A 79 -0.172 2.009 8.129 1.00 0.00 N ATOM 1252 CA TYR A 79 -0.310 3.457 8.016 1.00 0.00 C ATOM 1253 C TYR A 79 0.918 4.073 7.355 1.00 0.00 C ATOM 1254 O TYR A 79 2.030 3.558 7.479 1.00 0.00 O ATOM 1255 CB TYR A 79 -0.507 4.080 9.399 1.00 0.00 C ATOM 1256 CG TYR A 79 -1.682 3.521 10.168 1.00 0.00 C ATOM 1257 CD1 TYR A 79 -2.973 3.607 9.667 1.00 0.00 C ATOM 1258 CD2 TYR A 79 -1.497 2.913 11.405 1.00 0.00 C ATOM 1259 CE1 TYR A 79 -4.049 3.105 10.375 1.00 0.00 C ATOM 1260 CE2 TYR A 79 -2.566 2.406 12.116 1.00 0.00 C ATOM 1261 CZ TYR A 79 -3.840 2.504 11.599 1.00 0.00 C ATOM 1262 OH TYR A 79 -4.905 2.004 12.309 1.00 0.00 O ATOM 0 H TYR A 79 0.625 1.709 8.690 1.00 0.00 H new ATOM 0 HA TYR A 79 -1.183 3.662 7.396 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.400 3.931 9.985 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.640 5.156 9.285 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -3.140 4.074 8.708 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.501 2.836 11.816 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.048 3.183 9.972 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.405 1.934 13.074 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.584 1.613 13.148 1.00 0.00 H new ATOM 1272 N LEU A 80 0.706 5.188 6.664 1.00 0.00 N ATOM 1273 CA LEU A 80 1.785 5.895 5.983 1.00 0.00 C ATOM 1274 C LEU A 80 1.666 7.393 6.205 1.00 0.00 C ATOM 1275 O LEU A 80 1.255 8.137 5.313 1.00 0.00 O ATOM 1276 CB LEU A 80 1.763 5.581 4.490 1.00 0.00 C ATOM 1277 CG LEU A 80 1.996 4.112 4.153 1.00 0.00 C ATOM 1278 CD1 LEU A 80 1.770 3.861 2.671 1.00 0.00 C ATOM 1279 CD2 LEU A 80 3.403 3.694 4.557 1.00 0.00 C ATOM 0 H LEU A 80 -0.210 5.624 6.560 1.00 0.00 H new ATOM 0 HA LEU A 80 2.734 5.558 6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.800 5.887 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.526 6.181 3.993 1.00 0.00 H new ATOM 0 HG LEU A 80 1.281 3.511 4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.941 2.807 2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.745 4.125 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.461 4.471 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.555 2.643 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.131 4.302 4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.531 3.837 5.630 1.00 0.00 H new ATOM 1291 N GLY A 81 2.013 7.825 7.408 1.00 0.00 N ATOM 1292 CA GLY A 81 1.926 9.236 7.741 1.00 0.00 C ATOM 1293 C GLY A 81 0.496 9.655 8.012 1.00 0.00 C ATOM 1294 O GLY A 81 0.049 9.661 9.158 1.00 0.00 O ATOM 0 H GLY A 81 2.353 7.226 8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.539 9.442 8.618 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.331 9.830 6.922 1.00 0.00 H new ATOM 1298 N GLN A 82 -0.230 9.978 6.950 1.00 0.00 N ATOM 1299 CA GLN A 82 -1.628 10.369 7.064 1.00 0.00 C ATOM 1300 C GLN A 82 -2.511 9.426 6.255 1.00 0.00 C ATOM 1301 O GLN A 82 -3.732 9.583 6.219 1.00 0.00 O ATOM 1302 CB GLN A 82 -1.837 11.807 6.590 1.00 0.00 C ATOM 1303 CG GLN A 82 -1.050 12.834 7.386 1.00 0.00 C ATOM 1304 CD GLN A 82 -1.284 14.252 6.903 1.00 0.00 C ATOM 1305 OE1 GLN A 82 -1.011 14.581 5.749 1.00 0.00 O ATOM 1306 NE2 GLN A 82 -1.797 15.100 7.787 1.00 0.00 N ATOM 0 H GLN A 82 0.129 9.977 5.995 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.907 10.308 8.116 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.553 11.879 5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.898 12.049 6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.327 12.762 8.438 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.013 12.603 7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.008 14.784 8.734 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.980 16.067 7.519 1.00 0.00 H new ATOM 1315 N VAL A 83 -1.888 8.445 5.604 1.00 0.00 N ATOM 1316 CA VAL A 83 -2.617 7.484 4.798 1.00 0.00 C ATOM 1317 C VAL A 83 -2.748 6.164 5.546 1.00 0.00 C ATOM 1318 O VAL A 83 -1.938 5.851 6.416 1.00 0.00 O ATOM 1319 CB VAL A 83 -1.914 7.226 3.447 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -2.831 6.501 2.474 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -1.408 8.529 2.845 1.00 0.00 C ATOM 0 H VAL A 83 -0.879 8.300 5.623 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.604 7.904 4.603 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.057 6.580 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.305 6.335 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.127 5.542 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.719 7.106 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.916 8.324 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.248 9.204 2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.697 8.993 3.528 1.00 0.00 H new ATOM 1331 N ALA A 84 -3.763 5.394 5.199 1.00 0.00 N ATOM 1332 CA ALA A 84 -3.991 4.107 5.831 1.00 0.00 C ATOM 1333 C ALA A 84 -4.473 3.095 4.806 1.00 0.00 C ATOM 1334 O ALA A 84 -5.585 3.202 4.288 1.00 0.00 O ATOM 1335 CB ALA A 84 -4.993 4.241 6.968 1.00 0.00 C ATOM 0 H ALA A 84 -4.445 5.638 4.481 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.049 3.752 6.249 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.152 3.267 7.430 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.607 4.937 7.713 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.939 4.615 6.577 1.00 0.00 H new ATOM 1341 N ILE A 85 -3.630 2.113 4.508 1.00 0.00 N ATOM 1342 CA ILE A 85 -3.982 1.091 3.540 1.00 0.00 C ATOM 1343 C ILE A 85 -4.449 -0.170 4.226 1.00 0.00 C ATOM 1344 O ILE A 85 -3.952 -0.539 5.290 1.00 0.00 O ATOM 1345 CB ILE A 85 -2.810 0.767 2.590 1.00 0.00 C ATOM 1346 CG1 ILE A 85 -2.743 1.821 1.494 1.00 0.00 C ATOM 1347 CG2 ILE A 85 -2.955 -0.624 1.982 1.00 0.00 C ATOM 1348 CD1 ILE A 85 -1.627 1.594 0.498 1.00 0.00 C ATOM 0 H ILE A 85 -2.704 2.006 4.922 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.800 1.494 2.943 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.884 0.778 3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.694 1.840 0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.615 2.801 1.953 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.113 -0.820 1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.971 -1.369 2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.884 -0.678 1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.643 2.385 -0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.668 1.605 1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.765 0.629 0.011 1.00 0.00 H new ATOM 1360 N LEU A 86 -5.409 -0.825 3.603 1.00 0.00 N ATOM 1361 CA LEU A 86 -5.956 -2.055 4.149 1.00 0.00 C ATOM 1362 C LEU A 86 -6.125 -3.114 3.062 1.00 0.00 C ATOM 1363 O LEU A 86 -6.869 -2.918 2.103 1.00 0.00 O ATOM 1364 CB LEU A 86 -7.305 -1.790 4.823 1.00 0.00 C ATOM 1365 CG LEU A 86 -8.376 -1.157 3.928 1.00 0.00 C ATOM 1366 CD1 LEU A 86 -9.723 -1.150 4.634 1.00 0.00 C ATOM 1367 CD2 LEU A 86 -7.979 0.260 3.538 1.00 0.00 C ATOM 0 H LEU A 86 -5.826 -0.529 2.721 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.251 -2.429 4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.690 -2.734 5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.141 -1.138 5.681 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.461 -1.755 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.472 -0.697 3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.017 -2.173 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.647 -0.575 5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.752 0.693 2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.866 0.867 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.034 0.237 2.995 1.00 0.00 H new ATOM 1379 N LEU A 87 -5.437 -4.236 3.227 1.00 0.00 N ATOM 1380 CA LEU A 87 -5.517 -5.333 2.267 1.00 0.00 C ATOM 1381 C LEU A 87 -6.034 -6.594 2.949 1.00 0.00 C ATOM 1382 O LEU A 87 -5.694 -6.867 4.097 1.00 0.00 O ATOM 1383 CB LEU A 87 -4.139 -5.575 1.636 1.00 0.00 C ATOM 1384 CG LEU A 87 -4.014 -6.827 0.763 1.00 0.00 C ATOM 1385 CD1 LEU A 87 -2.811 -6.708 -0.162 1.00 0.00 C ATOM 1386 CD2 LEU A 87 -3.883 -8.071 1.630 1.00 0.00 C ATOM 0 H LEU A 87 -4.816 -4.412 4.017 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.217 -5.066 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.880 -4.706 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.401 -5.638 2.435 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.917 -6.916 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.734 -7.605 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.932 -5.836 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.904 -6.597 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.795 -8.951 0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.995 -7.986 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.765 -8.168 2.263 1.00 0.00 H new ATOM 1398 N PHE A 88 -6.869 -7.358 2.247 1.00 0.00 N ATOM 1399 CA PHE A 88 -7.427 -8.578 2.817 1.00 0.00 C ATOM 1400 C PHE A 88 -8.170 -9.410 1.773 1.00 0.00 C ATOM 1401 O PHE A 88 -9.164 -8.963 1.200 1.00 0.00 O ATOM 1402 CB PHE A 88 -8.376 -8.233 3.967 1.00 0.00 C ATOM 1403 CG PHE A 88 -9.552 -7.394 3.554 1.00 0.00 C ATOM 1404 CD1 PHE A 88 -9.366 -6.112 3.057 1.00 0.00 C ATOM 1405 CD2 PHE A 88 -10.843 -7.884 3.665 1.00 0.00 C ATOM 1406 CE1 PHE A 88 -10.447 -5.337 2.679 1.00 0.00 C ATOM 1407 CE2 PHE A 88 -11.928 -7.114 3.289 1.00 0.00 C ATOM 1408 CZ PHE A 88 -11.729 -5.839 2.796 1.00 0.00 C ATOM 0 H PHE A 88 -7.170 -7.155 1.294 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.594 -9.174 3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.741 -9.158 4.414 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.818 -7.704 4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.366 -5.715 2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.004 -8.880 4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.289 -4.341 2.293 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.929 -7.509 3.381 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.575 -5.235 2.502 1.00 0.00 H new ATOM 1418 N LYS A 89 -7.693 -10.632 1.549 1.00 0.00 N ATOM 1419 CA LYS A 89 -8.318 -11.543 0.599 1.00 0.00 C ATOM 1420 C LYS A 89 -9.605 -12.106 1.185 1.00 0.00 C ATOM 1421 O LYS A 89 -9.586 -13.091 1.923 1.00 0.00 O ATOM 1422 CB LYS A 89 -7.354 -12.681 0.256 1.00 0.00 C ATOM 1423 CG LYS A 89 -7.969 -13.807 -0.557 1.00 0.00 C ATOM 1424 CD LYS A 89 -8.179 -13.392 -1.998 1.00 0.00 C ATOM 1425 CE LYS A 89 -6.854 -13.096 -2.687 1.00 0.00 C ATOM 1426 NZ LYS A 89 -5.928 -14.261 -2.631 1.00 0.00 N ATOM 0 H LYS A 89 -6.871 -11.014 2.016 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.557 -10.995 -0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.510 -12.270 -0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.957 -13.095 1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.321 -14.682 -0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.923 -14.098 -0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.701 -14.184 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.816 -12.508 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.038 -12.828 -3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.383 -12.234 -2.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.481 -14.394 -3.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.194 -14.087 -1.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.462 -15.117 -2.378 1.00 0.00 H new ATOM 1440 N SER A 90 -10.718 -11.473 0.852 1.00 0.00 N ATOM 1441 CA SER A 90 -12.023 -11.900 1.345 1.00 0.00 C ATOM 1442 C SER A 90 -12.657 -12.925 0.408 1.00 0.00 C ATOM 1443 O SER A 90 -13.880 -12.982 0.275 1.00 0.00 O ATOM 1444 CB SER A 90 -12.950 -10.693 1.502 1.00 0.00 C ATOM 1445 OG SER A 90 -12.405 -9.745 2.402 1.00 0.00 O ATOM 0 H SER A 90 -10.746 -10.658 0.240 1.00 0.00 H new ATOM 0 HA SER A 90 -11.878 -12.370 2.318 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.111 -10.226 0.531 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.924 -11.023 1.863 1.00 0.00 H new ATOM 0 HG SER A 90 -12.574 -8.840 2.066 1.00 0.00 H new ATOM 1451 N GLY A 91 -11.822 -13.730 -0.239 1.00 0.00 N ATOM 1452 CA GLY A 91 -12.324 -14.741 -1.153 1.00 0.00 C ATOM 1453 C GLY A 91 -11.778 -16.122 -0.848 1.00 0.00 C ATOM 1454 O GLY A 91 -12.335 -16.797 0.042 1.00 0.00 O ATOM 1455 OXT GLY A 91 -10.794 -16.528 -1.500 1.00 0.00 O ATOM 0 H GLY A 91 -10.807 -13.701 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.413 -14.765 -1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -12.059 -14.467 -2.174 1.00 0.00 H new TER 1459 GLY A 91