USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 485 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 166:sc= -0.843 (180deg=-1.36) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0 (180deg=-0.144) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.042 K(o=-0.042,f=-1.6!) USER MOD Single : A 10 THR OG1 : rot -58:sc= 0.831 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.105) USER MOD Single : A 25 TYR OH : rot -43:sc= 0.0769 USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= -0.0243 (180deg=-0.138) USER MOD Single : A 30 SER OG : rot -56:sc= 0.52! USER MOD Single : A 37 THR OG1 : rot 40:sc= 1.07 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -1.64! USER MOD Single : A 61 THR OG1 : rot -56:sc= 0.069 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -10.5! C(o=-11!,f=-22!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.445 11.082 -1.343 1.00 0.00 N ATOM 2 CA MET A 1 12.132 10.647 -0.788 1.00 0.00 C ATOM 3 C MET A 1 11.284 9.992 -1.882 1.00 0.00 C ATOM 4 O MET A 1 10.580 10.655 -2.616 1.00 0.00 O ATOM 5 CB MET A 1 11.466 11.930 -0.290 1.00 0.00 C ATOM 6 CG MET A 1 12.059 12.321 1.066 1.00 0.00 C ATOM 7 SD MET A 1 11.241 13.817 1.674 1.00 0.00 S ATOM 8 CE MET A 1 9.741 13.019 2.299 1.00 0.00 C ATOM 0 H1 MET A 1 14.206 10.513 -0.921 1.00 0.00 H new ATOM 0 H2 MET A 1 13.446 10.951 -2.375 1.00 0.00 H new ATOM 0 H3 MET A 1 13.600 12.086 -1.121 1.00 0.00 H new ATOM 0 HA MET A 1 12.245 9.911 0.008 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.617 12.734 -1.010 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.390 11.782 -0.199 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.930 11.507 1.780 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.131 12.493 0.970 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.199 13.714 2.940 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.107 12.728 1.461 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.012 12.133 2.873 1.00 0.00 H new ATOM 20 N LYS A 2 11.345 8.693 -1.993 1.00 0.00 N ATOM 21 CA LYS A 2 10.540 7.994 -3.036 1.00 0.00 C ATOM 22 C LYS A 2 9.829 6.784 -2.427 1.00 0.00 C ATOM 23 O LYS A 2 10.160 6.339 -1.345 1.00 0.00 O ATOM 24 CB LYS A 2 11.557 7.546 -4.088 1.00 0.00 C ATOM 25 CG LYS A 2 12.415 8.740 -4.512 1.00 0.00 C ATOM 26 CD LYS A 2 13.606 8.247 -5.336 1.00 0.00 C ATOM 27 CE LYS A 2 14.897 8.444 -4.538 1.00 0.00 C ATOM 28 NZ LYS A 2 15.826 7.395 -5.041 1.00 0.00 N ATOM 0 H LYS A 2 11.917 8.085 -1.407 1.00 0.00 H new ATOM 0 HA LYS A 2 9.769 8.635 -3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.190 6.756 -3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.041 7.130 -4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.819 9.440 -5.098 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.766 9.279 -3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.478 7.194 -5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.661 8.793 -6.278 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.308 9.442 -4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.720 8.334 -3.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.735 7.467 -4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.412 6.456 -4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.981 7.529 -6.061 1.00 0.00 H new ATOM 42 N CYS A 3 8.855 6.248 -3.109 1.00 0.00 N ATOM 43 CA CYS A 3 8.127 5.066 -2.562 1.00 0.00 C ATOM 44 C CYS A 3 8.232 3.886 -3.529 1.00 0.00 C ATOM 45 O CYS A 3 7.818 3.963 -4.669 1.00 0.00 O ATOM 46 CB CYS A 3 6.674 5.520 -2.424 1.00 0.00 C ATOM 47 SG CYS A 3 5.887 4.637 -1.054 1.00 0.00 S ATOM 0 H CYS A 3 8.531 6.575 -4.019 1.00 0.00 H new ATOM 0 HA CYS A 3 8.540 4.733 -1.610 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.634 6.595 -2.247 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.133 5.329 -3.351 1.00 0.00 H new ATOM 52 N LYS A 4 8.782 2.793 -3.081 1.00 0.00 N ATOM 53 CA LYS A 4 8.914 1.602 -3.971 1.00 0.00 C ATOM 54 C LYS A 4 7.619 0.786 -3.956 1.00 0.00 C ATOM 55 O LYS A 4 7.128 0.400 -2.913 1.00 0.00 O ATOM 56 CB LYS A 4 10.067 0.789 -3.381 1.00 0.00 C ATOM 57 CG LYS A 4 10.607 -0.173 -4.440 1.00 0.00 C ATOM 58 CD LYS A 4 11.363 -1.315 -3.757 1.00 0.00 C ATOM 59 CE LYS A 4 12.851 -0.964 -3.671 1.00 0.00 C ATOM 60 NZ LYS A 4 13.484 -2.135 -3.003 1.00 0.00 N ATOM 0 H LYS A 4 9.147 2.671 -2.136 1.00 0.00 H new ATOM 0 HA LYS A 4 9.103 1.881 -5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.860 1.456 -3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.724 0.232 -2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.786 -0.572 -5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.269 0.357 -5.124 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.961 -1.486 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.229 -2.240 -4.317 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.275 -0.797 -4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.009 -0.050 -3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.506 -1.970 -2.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.065 -2.265 -2.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.323 -2.989 -3.574 1.00 0.00 H new ATOM 74 N ILE A 5 7.062 0.522 -5.105 1.00 0.00 N ATOM 75 CA ILE A 5 5.799 -0.268 -5.158 1.00 0.00 C ATOM 76 C ILE A 5 5.998 -1.529 -6.003 1.00 0.00 C ATOM 77 O ILE A 5 6.564 -1.485 -7.076 1.00 0.00 O ATOM 78 CB ILE A 5 4.781 0.663 -5.816 1.00 0.00 C ATOM 79 CG1 ILE A 5 4.370 1.752 -4.822 1.00 0.00 C ATOM 80 CG2 ILE A 5 3.548 -0.140 -6.233 1.00 0.00 C ATOM 81 CD1 ILE A 5 4.815 3.119 -5.347 1.00 0.00 C ATOM 0 H ILE A 5 7.426 0.819 -6.010 1.00 0.00 H new ATOM 0 HA ILE A 5 5.475 -0.597 -4.171 1.00 0.00 H new ATOM 0 HB ILE A 5 5.227 1.124 -6.697 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.289 1.740 -4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.822 1.560 -3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.823 0.525 -6.702 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.841 -0.915 -6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.100 -0.603 -5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.522 3.894 -4.639 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.898 3.128 -5.467 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.342 3.310 -6.310 1.00 0.00 H new ATOM 93 N CYS A 6 5.535 -2.654 -5.527 1.00 0.00 N ATOM 94 CA CYS A 6 5.699 -3.915 -6.306 1.00 0.00 C ATOM 95 C CYS A 6 4.938 -5.059 -5.630 1.00 0.00 C ATOM 96 O CYS A 6 5.358 -6.199 -5.659 1.00 0.00 O ATOM 97 CB CYS A 6 7.204 -4.192 -6.298 1.00 0.00 C ATOM 98 SG CYS A 6 7.770 -4.405 -4.592 1.00 0.00 S ATOM 0 H CYS A 6 5.051 -2.754 -4.634 1.00 0.00 H new ATOM 0 HA CYS A 6 5.305 -3.829 -7.319 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.423 -5.088 -6.879 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.739 -3.367 -6.769 1.00 0.00 H new ATOM 103 N ASN A 7 3.821 -4.764 -5.023 1.00 0.00 N ATOM 104 CA ASN A 7 3.032 -5.835 -4.345 1.00 0.00 C ATOM 105 C ASN A 7 3.901 -6.559 -3.314 1.00 0.00 C ATOM 106 O ASN A 7 4.789 -7.314 -3.657 1.00 0.00 O ATOM 107 CB ASN A 7 2.615 -6.792 -5.463 1.00 0.00 C ATOM 108 CG ASN A 7 1.393 -7.597 -5.016 1.00 0.00 C ATOM 109 OD1 ASN A 7 1.354 -8.101 -3.911 1.00 0.00 O ATOM 110 ND2 ASN A 7 0.387 -7.743 -5.835 1.00 0.00 N ATOM 0 H ASN A 7 3.420 -3.828 -4.967 1.00 0.00 H new ATOM 0 HA ASN A 7 2.170 -5.436 -3.810 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.383 -6.231 -6.369 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.438 -7.464 -5.706 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.431 -8.280 -5.547 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.419 -7.320 -6.763 1.00 0.00 H new ATOM 117 N PHE A 8 3.650 -6.337 -2.052 1.00 0.00 N ATOM 118 CA PHE A 8 4.462 -7.016 -1.001 1.00 0.00 C ATOM 119 C PHE A 8 4.382 -8.535 -1.173 1.00 0.00 C ATOM 120 O PHE A 8 3.483 -9.052 -1.806 1.00 0.00 O ATOM 121 CB PHE A 8 3.827 -6.590 0.324 1.00 0.00 C ATOM 122 CG PHE A 8 4.589 -5.417 0.894 1.00 0.00 C ATOM 123 CD1 PHE A 8 4.400 -4.135 0.365 1.00 0.00 C ATOM 124 CD2 PHE A 8 5.483 -5.613 1.953 1.00 0.00 C ATOM 125 CE1 PHE A 8 5.107 -3.049 0.895 1.00 0.00 C ATOM 126 CE2 PHE A 8 6.191 -4.527 2.482 1.00 0.00 C ATOM 127 CZ PHE A 8 6.002 -3.245 1.952 1.00 0.00 C ATOM 0 H PHE A 8 2.919 -5.716 -1.704 1.00 0.00 H new ATOM 0 HA PHE A 8 5.517 -6.746 -1.052 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.783 -6.318 0.168 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.838 -7.421 1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.709 -3.984 -0.451 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.627 -6.602 2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 8 4.961 -2.059 0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 8 6.882 -4.678 3.298 1.00 0.00 H new ATOM 0 HZ PHE A 8 6.548 -2.407 2.360 1.00 0.00 H new ATOM 137 N ASP A 9 5.318 -9.255 -0.615 1.00 0.00 N ATOM 138 CA ASP A 9 5.299 -10.743 -0.747 1.00 0.00 C ATOM 139 C ASP A 9 5.601 -11.153 -2.192 1.00 0.00 C ATOM 140 O ASP A 9 5.446 -12.298 -2.567 1.00 0.00 O ATOM 141 CB ASP A 9 3.880 -11.163 -0.356 1.00 0.00 C ATOM 142 CG ASP A 9 3.929 -12.511 0.367 1.00 0.00 C ATOM 143 OD1 ASP A 9 5.014 -13.054 0.493 1.00 0.00 O ATOM 144 OD2 ASP A 9 2.880 -12.978 0.781 1.00 0.00 O ATOM 0 H ASP A 9 6.096 -8.878 -0.073 1.00 0.00 H new ATOM 0 HA ASP A 9 6.051 -11.219 -0.118 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.430 -10.408 0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.253 -11.237 -1.245 1.00 0.00 H new ATOM 149 N THR A 10 6.032 -10.227 -3.003 1.00 0.00 N ATOM 150 CA THR A 10 6.347 -10.563 -4.422 1.00 0.00 C ATOM 151 C THR A 10 6.809 -9.309 -5.171 1.00 0.00 C ATOM 152 O THR A 10 6.214 -8.905 -6.150 1.00 0.00 O ATOM 153 CB THR A 10 5.035 -11.084 -5.010 1.00 0.00 C ATOM 154 OG1 THR A 10 5.194 -11.290 -6.407 1.00 0.00 O ATOM 155 CG2 THR A 10 3.922 -10.065 -4.766 1.00 0.00 C ATOM 0 H THR A 10 6.180 -9.251 -2.745 1.00 0.00 H new ATOM 0 HA THR A 10 7.149 -11.297 -4.503 1.00 0.00 H new ATOM 0 HB THR A 10 4.771 -12.026 -4.530 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.466 -10.450 -6.833 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.988 -10.439 -5.186 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.801 -9.908 -3.694 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.182 -9.120 -5.244 1.00 0.00 H new ATOM 163 N CYS A 11 7.865 -8.693 -4.718 1.00 0.00 N ATOM 164 CA CYS A 11 8.364 -7.467 -5.404 1.00 0.00 C ATOM 165 C CYS A 11 8.943 -7.828 -6.775 1.00 0.00 C ATOM 166 O CYS A 11 10.118 -8.105 -6.909 1.00 0.00 O ATOM 167 CB CYS A 11 9.456 -6.915 -4.489 1.00 0.00 C ATOM 168 SG CYS A 11 9.642 -5.138 -4.777 1.00 0.00 S ATOM 0 H CYS A 11 8.404 -8.985 -3.903 1.00 0.00 H new ATOM 0 HA CYS A 11 7.571 -6.739 -5.575 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.200 -7.100 -3.446 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.399 -7.426 -4.681 1.00 0.00 H new ATOM 173 N ARG A 12 8.127 -7.825 -7.792 1.00 0.00 N ATOM 174 CA ARG A 12 8.629 -8.169 -9.153 1.00 0.00 C ATOM 175 C ARG A 12 8.506 -6.960 -10.084 1.00 0.00 C ATOM 176 O ARG A 12 9.017 -6.959 -11.186 1.00 0.00 O ATOM 177 CB ARG A 12 7.728 -9.307 -9.631 1.00 0.00 C ATOM 178 CG ARG A 12 8.232 -10.634 -9.059 1.00 0.00 C ATOM 179 CD ARG A 12 8.187 -11.707 -10.149 1.00 0.00 C ATOM 180 NE ARG A 12 6.896 -12.419 -9.933 1.00 0.00 N ATOM 181 CZ ARG A 12 6.385 -13.148 -10.887 1.00 0.00 C ATOM 182 NH1 ARG A 12 6.023 -12.591 -12.010 1.00 0.00 N ATOM 183 NH2 ARG A 12 6.235 -14.433 -10.718 1.00 0.00 N ATOM 0 H ARG A 12 7.134 -7.599 -7.740 1.00 0.00 H new ATOM 0 HA ARG A 12 9.680 -8.457 -9.145 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.701 -9.129 -9.313 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.723 -9.347 -10.720 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.250 -10.519 -8.688 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.616 -10.935 -8.212 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.231 -11.262 -11.143 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.033 -12.389 -10.067 1.00 0.00 H new ATOM 0 HE ARG A 12 6.412 -12.337 -9.039 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.140 -11.586 -12.142 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.624 -13.160 -12.756 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.517 -14.868 -9.840 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.835 -15.002 -11.464 1.00 0.00 H new ATOM 197 N ALA A 13 7.827 -5.933 -9.653 1.00 0.00 N ATOM 198 CA ALA A 13 7.671 -4.728 -10.516 1.00 0.00 C ATOM 199 C ALA A 13 8.686 -3.654 -10.116 1.00 0.00 C ATOM 200 O ALA A 13 9.089 -2.839 -10.922 1.00 0.00 O ATOM 201 CB ALA A 13 6.245 -4.239 -10.261 1.00 0.00 C ATOM 0 H ALA A 13 7.374 -5.876 -8.741 1.00 0.00 H new ATOM 0 HA ALA A 13 7.844 -4.951 -11.569 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.052 -3.351 -10.862 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.538 -5.022 -10.533 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.127 -3.995 -9.205 1.00 0.00 H new ATOM 207 N GLY A 14 9.102 -3.647 -8.879 1.00 0.00 N ATOM 208 CA GLY A 14 10.090 -2.626 -8.431 1.00 0.00 C ATOM 209 C GLY A 14 9.697 -1.258 -8.992 1.00 0.00 C ATOM 210 O GLY A 14 10.534 -0.484 -9.411 1.00 0.00 O ATOM 0 H GLY A 14 8.800 -4.304 -8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.123 -2.589 -7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.089 -2.897 -8.771 1.00 0.00 H new ATOM 214 N GLU A 15 8.428 -0.957 -9.006 1.00 0.00 N ATOM 215 CA GLU A 15 7.978 0.359 -9.545 1.00 0.00 C ATOM 216 C GLU A 15 7.968 1.413 -8.434 1.00 0.00 C ATOM 217 O GLU A 15 6.988 1.586 -7.736 1.00 0.00 O ATOM 218 CB GLU A 15 6.560 0.109 -10.059 1.00 0.00 C ATOM 219 CG GLU A 15 6.412 0.703 -11.461 1.00 0.00 C ATOM 220 CD GLU A 15 6.614 2.218 -11.400 1.00 0.00 C ATOM 221 OE1 GLU A 15 6.768 2.731 -10.304 1.00 0.00 O ATOM 222 OE2 GLU A 15 6.612 2.839 -12.450 1.00 0.00 O ATOM 0 H GLU A 15 7.682 -1.565 -8.668 1.00 0.00 H new ATOM 0 HA GLU A 15 8.638 0.732 -10.328 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.354 -0.961 -10.083 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.833 0.559 -9.383 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.142 0.255 -12.136 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.425 0.473 -11.862 1.00 0.00 H new ATOM 229 N LEU A 16 9.051 2.123 -8.264 1.00 0.00 N ATOM 230 CA LEU A 16 9.100 3.166 -7.200 1.00 0.00 C ATOM 231 C LEU A 16 8.731 4.533 -7.787 1.00 0.00 C ATOM 232 O LEU A 16 8.920 4.786 -8.960 1.00 0.00 O ATOM 233 CB LEU A 16 10.548 3.163 -6.707 1.00 0.00 C ATOM 234 CG LEU A 16 10.824 4.445 -5.919 1.00 0.00 C ATOM 235 CD1 LEU A 16 11.765 4.134 -4.754 1.00 0.00 C ATOM 236 CD2 LEU A 16 11.478 5.478 -6.840 1.00 0.00 C ATOM 0 H LEU A 16 9.903 2.026 -8.816 1.00 0.00 H new ATOM 0 HA LEU A 16 8.397 2.967 -6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.727 2.291 -6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.231 3.090 -7.553 1.00 0.00 H new ATOM 0 HG LEU A 16 9.886 4.844 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.962 5.047 -4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.301 3.397 -4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.703 3.736 -5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.675 6.392 -6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.416 5.079 -7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.809 5.699 -7.671 1.00 0.00 H new ATOM 248 N LYS A 17 8.211 5.416 -6.978 1.00 0.00 N ATOM 249 CA LYS A 17 7.835 6.763 -7.483 1.00 0.00 C ATOM 250 C LYS A 17 8.208 7.824 -6.447 1.00 0.00 C ATOM 251 O LYS A 17 9.108 7.637 -5.651 1.00 0.00 O ATOM 252 CB LYS A 17 6.318 6.708 -7.677 1.00 0.00 C ATOM 253 CG LYS A 17 5.975 5.663 -8.741 1.00 0.00 C ATOM 254 CD LYS A 17 5.162 6.320 -9.858 1.00 0.00 C ATOM 255 CE LYS A 17 6.086 7.176 -10.726 1.00 0.00 C ATOM 256 NZ LYS A 17 5.297 7.468 -11.955 1.00 0.00 N ATOM 0 H LYS A 17 8.031 5.260 -5.986 1.00 0.00 H new ATOM 0 HA LYS A 17 8.349 7.021 -8.409 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.830 6.457 -6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.944 7.686 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.889 5.230 -9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.407 4.847 -8.295 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.678 5.557 -10.467 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.371 6.937 -9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.371 8.094 -10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.007 6.645 -10.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.865 8.053 -12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.045 6.576 -12.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.429 7.980 -11.697 1.00 0.00 H new ATOM 270 N VAL A 18 7.529 8.934 -6.451 1.00 0.00 N ATOM 271 CA VAL A 18 7.851 10.005 -5.469 1.00 0.00 C ATOM 272 C VAL A 18 6.603 10.385 -4.668 1.00 0.00 C ATOM 273 O VAL A 18 5.543 10.607 -5.219 1.00 0.00 O ATOM 274 CB VAL A 18 8.320 11.175 -6.324 1.00 0.00 C ATOM 275 CG1 VAL A 18 9.712 10.870 -6.879 1.00 0.00 C ATOM 276 CG2 VAL A 18 7.341 11.378 -7.484 1.00 0.00 C ATOM 0 H VAL A 18 6.764 9.147 -7.092 1.00 0.00 H new ATOM 0 HA VAL A 18 8.603 9.696 -4.743 1.00 0.00 H new ATOM 0 HB VAL A 18 8.360 12.080 -5.718 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.051 11.706 -7.492 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.408 10.720 -6.054 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.671 9.967 -7.488 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.673 12.215 -8.098 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.304 10.474 -8.092 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.348 11.590 -7.089 1.00 0.00 H new ATOM 286 N CYS A 19 6.721 10.461 -3.372 1.00 0.00 N ATOM 287 CA CYS A 19 5.544 10.826 -2.534 1.00 0.00 C ATOM 288 C CYS A 19 6.007 11.345 -1.170 1.00 0.00 C ATOM 289 O CYS A 19 7.125 11.795 -1.014 1.00 0.00 O ATOM 290 CB CYS A 19 4.755 9.527 -2.374 1.00 0.00 C ATOM 291 SG CYS A 19 3.190 9.654 -3.276 1.00 0.00 S ATOM 0 H CYS A 19 7.583 10.286 -2.856 1.00 0.00 H new ATOM 0 HA CYS A 19 4.943 11.615 -2.986 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.337 8.687 -2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.564 9.333 -1.319 1.00 0.00 H new ATOM 296 N ALA A 20 5.157 11.284 -0.183 1.00 0.00 N ATOM 297 CA ALA A 20 5.551 11.772 1.169 1.00 0.00 C ATOM 298 C ALA A 20 6.202 13.154 1.065 1.00 0.00 C ATOM 299 O ALA A 20 6.954 13.563 1.927 1.00 0.00 O ATOM 300 CB ALA A 20 6.557 10.742 1.683 1.00 0.00 C ATOM 0 H ALA A 20 4.208 10.918 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 20 4.695 11.875 1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.897 11.030 2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.082 9.762 1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.411 10.698 1.007 1.00 0.00 H new ATOM 306 N SER A 21 5.918 13.878 0.017 1.00 0.00 N ATOM 307 CA SER A 21 6.521 15.233 -0.139 1.00 0.00 C ATOM 308 C SER A 21 5.802 16.237 0.766 1.00 0.00 C ATOM 309 O SER A 21 6.336 17.273 1.108 1.00 0.00 O ATOM 310 CB SER A 21 6.314 15.592 -1.610 1.00 0.00 C ATOM 311 OG SER A 21 7.504 15.311 -2.334 1.00 0.00 O ATOM 0 H SER A 21 5.295 13.590 -0.738 1.00 0.00 H new ATOM 0 HA SER A 21 7.575 15.252 0.140 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.481 15.022 -2.022 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.057 16.647 -1.706 1.00 0.00 H new ATOM 0 HG SER A 21 7.374 15.539 -3.278 1.00 0.00 H new ATOM 317 N GLY A 22 4.594 15.938 1.156 1.00 0.00 N ATOM 318 CA GLY A 22 3.840 16.874 2.038 1.00 0.00 C ATOM 319 C GLY A 22 2.394 16.398 2.173 1.00 0.00 C ATOM 320 O GLY A 22 1.925 16.104 3.254 1.00 0.00 O ATOM 0 H GLY A 22 4.095 15.085 0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.311 16.923 3.020 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.865 17.881 1.622 1.00 0.00 H new ATOM 324 N GLU A 23 1.683 16.318 1.081 1.00 0.00 N ATOM 325 CA GLU A 23 0.266 15.858 1.147 1.00 0.00 C ATOM 326 C GLU A 23 0.091 14.572 0.336 1.00 0.00 C ATOM 327 O GLU A 23 -0.992 14.249 -0.111 1.00 0.00 O ATOM 328 CB GLU A 23 -0.550 16.996 0.531 1.00 0.00 C ATOM 329 CG GLU A 23 -1.641 17.431 1.511 1.00 0.00 C ATOM 330 CD GLU A 23 -2.986 17.487 0.786 1.00 0.00 C ATOM 331 OE1 GLU A 23 -3.205 16.655 -0.080 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.775 18.360 1.107 1.00 0.00 O ATOM 0 H GLU A 23 2.021 16.551 0.147 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.050 15.637 2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.100 17.839 0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.998 16.670 -0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.695 16.732 2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.400 18.408 1.929 1.00 0.00 H new ATOM 339 N LYS A 24 1.151 13.835 0.142 1.00 0.00 N ATOM 340 CA LYS A 24 1.046 12.569 -0.640 1.00 0.00 C ATOM 341 C LYS A 24 1.589 11.396 0.180 1.00 0.00 C ATOM 342 O LYS A 24 2.783 11.223 0.320 1.00 0.00 O ATOM 343 CB LYS A 24 1.906 12.800 -1.883 1.00 0.00 C ATOM 344 CG LYS A 24 1.072 13.498 -2.958 1.00 0.00 C ATOM 345 CD LYS A 24 1.220 15.015 -2.814 1.00 0.00 C ATOM 346 CE LYS A 24 -0.066 15.700 -3.280 1.00 0.00 C ATOM 347 NZ LYS A 24 -0.082 15.522 -4.759 1.00 0.00 N ATOM 0 H LYS A 24 2.084 14.054 0.491 1.00 0.00 H new ATOM 0 HA LYS A 24 0.015 12.325 -0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.774 13.408 -1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.282 11.849 -2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.399 13.182 -3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.024 13.213 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.427 15.274 -1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.066 15.366 -3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.944 15.248 -2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.072 16.756 -3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.768 16.180 -5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.865 15.717 -5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.354 14.545 -4.988 1.00 0.00 H new ATOM 361 N TYR A 25 0.720 10.588 0.721 1.00 0.00 N ATOM 362 CA TYR A 25 1.186 9.426 1.530 1.00 0.00 C ATOM 363 C TYR A 25 1.010 8.130 0.738 1.00 0.00 C ATOM 364 O TYR A 25 -0.024 7.891 0.146 1.00 0.00 O ATOM 365 CB TYR A 25 0.285 9.420 2.765 1.00 0.00 C ATOM 366 CG TYR A 25 0.471 10.705 3.538 1.00 0.00 C ATOM 367 CD1 TYR A 25 0.032 11.919 2.997 1.00 0.00 C ATOM 368 CD2 TYR A 25 1.079 10.679 4.799 1.00 0.00 C ATOM 369 CE1 TYR A 25 0.202 13.108 3.717 1.00 0.00 C ATOM 370 CE2 TYR A 25 1.249 11.868 5.519 1.00 0.00 C ATOM 371 CZ TYR A 25 0.810 13.082 4.977 1.00 0.00 C ATOM 372 OH TYR A 25 0.976 14.253 5.687 1.00 0.00 O ATOM 0 H TYR A 25 -0.292 10.682 0.638 1.00 0.00 H new ATOM 0 HA TYR A 25 2.241 9.501 1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.758 9.312 2.466 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.525 8.566 3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.438 11.939 2.025 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.417 9.742 5.216 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.136 14.045 3.300 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.718 11.849 6.492 1.00 0.00 H new ATOM 0 HH TYR A 25 1.293 14.958 5.085 1.00 0.00 H new ATOM 382 N CYS A 26 2.004 7.283 0.725 1.00 0.00 N ATOM 383 CA CYS A 26 1.871 6.004 -0.027 1.00 0.00 C ATOM 384 C CYS A 26 0.700 5.197 0.540 1.00 0.00 C ATOM 385 O CYS A 26 0.762 4.684 1.641 1.00 0.00 O ATOM 386 CB CYS A 26 3.196 5.270 0.189 1.00 0.00 C ATOM 387 SG CYS A 26 3.906 4.820 -1.415 1.00 0.00 S ATOM 0 H CYS A 26 2.896 7.421 1.199 1.00 0.00 H new ATOM 0 HA CYS A 26 1.672 6.159 -1.088 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.890 5.905 0.741 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.035 4.376 0.791 1.00 0.00 H new ATOM 392 N PHE A 27 -0.372 5.097 -0.197 1.00 0.00 N ATOM 393 CA PHE A 27 -1.556 4.339 0.301 1.00 0.00 C ATOM 394 C PHE A 27 -1.377 2.838 0.061 1.00 0.00 C ATOM 395 O PHE A 27 -1.571 2.346 -1.032 1.00 0.00 O ATOM 396 CB PHE A 27 -2.735 4.877 -0.514 1.00 0.00 C ATOM 397 CG PHE A 27 -3.916 3.944 -0.380 1.00 0.00 C ATOM 398 CD1 PHE A 27 -4.102 3.214 0.801 1.00 0.00 C ATOM 399 CD2 PHE A 27 -4.824 3.810 -1.436 1.00 0.00 C ATOM 400 CE1 PHE A 27 -5.197 2.350 0.923 1.00 0.00 C ATOM 401 CE2 PHE A 27 -5.919 2.946 -1.313 1.00 0.00 C ATOM 402 CZ PHE A 27 -6.106 2.216 -0.133 1.00 0.00 C ATOM 0 H PHE A 27 -0.480 5.508 -1.124 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.703 4.466 1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.006 5.874 -0.165 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.452 4.972 -1.562 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.402 3.318 1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.680 4.373 -2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.340 1.786 1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.619 2.843 -2.129 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.951 1.550 -0.038 1.00 0.00 H new ATOM 412 N LYS A 28 -1.019 2.106 1.080 1.00 0.00 N ATOM 413 CA LYS A 28 -0.841 0.635 0.916 1.00 0.00 C ATOM 414 C LYS A 28 -2.115 -0.087 1.359 1.00 0.00 C ATOM 415 O LYS A 28 -2.619 0.134 2.443 1.00 0.00 O ATOM 416 CB LYS A 28 0.332 0.271 1.829 1.00 0.00 C ATOM 417 CG LYS A 28 1.341 -0.576 1.050 1.00 0.00 C ATOM 418 CD LYS A 28 2.746 -0.001 1.241 1.00 0.00 C ATOM 419 CE LYS A 28 3.332 0.378 -0.120 1.00 0.00 C ATOM 420 NZ LYS A 28 3.953 1.716 0.090 1.00 0.00 N ATOM 0 H LYS A 28 -0.842 2.463 2.019 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.648 0.348 -0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.812 1.176 2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.027 -0.280 2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.309 -1.609 1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.082 -0.587 -0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.707 0.875 1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.386 -0.733 1.733 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.070 -0.353 -0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.558 0.417 -0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.994 2.226 -0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.383 2.261 0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.916 1.597 0.464 1.00 0.00 H new ATOM 434 N GLU A 29 -2.648 -0.943 0.531 1.00 0.00 N ATOM 435 CA GLU A 29 -3.896 -1.665 0.914 1.00 0.00 C ATOM 436 C GLU A 29 -3.675 -3.177 0.866 1.00 0.00 C ATOM 437 O GLU A 29 -2.814 -3.669 0.162 1.00 0.00 O ATOM 438 CB GLU A 29 -4.931 -1.241 -0.128 1.00 0.00 C ATOM 439 CG GLU A 29 -6.310 -1.153 0.527 1.00 0.00 C ATOM 440 CD GLU A 29 -7.392 -1.343 -0.537 1.00 0.00 C ATOM 441 OE1 GLU A 29 -7.357 -2.358 -1.214 1.00 0.00 O ATOM 442 OE2 GLU A 29 -8.236 -0.471 -0.659 1.00 0.00 O ATOM 0 H GLU A 29 -2.276 -1.174 -0.390 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.214 -1.427 1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.658 -0.276 -0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.952 -1.959 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.407 -1.916 1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.431 -0.186 1.016 1.00 0.00 H new ATOM 449 N SER A 30 -4.448 -3.920 1.609 1.00 0.00 N ATOM 450 CA SER A 30 -4.288 -5.401 1.607 1.00 0.00 C ATOM 451 C SER A 30 -5.642 -6.079 1.832 1.00 0.00 C ATOM 452 O SER A 30 -6.156 -6.110 2.932 1.00 0.00 O ATOM 453 CB SER A 30 -3.342 -5.696 2.770 1.00 0.00 C ATOM 454 OG SER A 30 -3.757 -6.888 3.423 1.00 0.00 O ATOM 0 H SER A 30 -5.185 -3.565 2.218 1.00 0.00 H new ATOM 0 HA SER A 30 -3.900 -5.774 0.659 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.321 -5.805 2.404 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.342 -4.864 3.474 1.00 0.00 H new ATOM 0 HG SER A 30 -4.689 -6.795 3.712 1.00 0.00 H new ATOM 460 N TRP A 31 -6.224 -6.622 0.797 1.00 0.00 N ATOM 461 CA TRP A 31 -7.545 -7.296 0.954 1.00 0.00 C ATOM 462 C TRP A 31 -7.350 -8.751 1.387 1.00 0.00 C ATOM 463 O TRP A 31 -6.708 -9.530 0.710 1.00 0.00 O ATOM 464 CB TRP A 31 -8.190 -7.229 -0.431 1.00 0.00 C ATOM 465 CG TRP A 31 -9.464 -6.451 -0.350 1.00 0.00 C ATOM 466 CD1 TRP A 31 -10.548 -6.808 0.377 1.00 0.00 C ATOM 467 CD2 TRP A 31 -9.807 -5.195 -1.005 1.00 0.00 C ATOM 468 NE1 TRP A 31 -11.533 -5.851 0.210 1.00 0.00 N ATOM 469 CE2 TRP A 31 -11.125 -4.837 -0.632 1.00 0.00 C ATOM 470 CE3 TRP A 31 -9.110 -4.340 -1.878 1.00 0.00 C ATOM 471 CZ2 TRP A 31 -11.728 -3.672 -1.108 1.00 0.00 C ATOM 472 CZ3 TRP A 31 -9.714 -3.167 -2.359 1.00 0.00 C ATOM 473 CH2 TRP A 31 -11.021 -2.834 -1.974 1.00 0.00 C ATOM 0 H TRP A 31 -5.843 -6.628 -0.149 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.163 -6.820 1.715 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.508 -6.758 -1.139 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -8.389 -8.235 -0.801 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -10.631 -7.695 0.988 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -12.450 -5.890 0.655 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -8.103 -4.587 -2.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -12.735 -3.420 -0.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -9.169 -2.518 -3.029 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -11.481 -1.930 -2.347 1.00 0.00 H new ATOM 484 N ARG A 32 -7.898 -9.123 2.512 1.00 0.00 N ATOM 485 CA ARG A 32 -7.743 -10.528 2.990 1.00 0.00 C ATOM 486 C ARG A 32 -8.914 -11.385 2.504 1.00 0.00 C ATOM 487 O ARG A 32 -10.065 -11.031 2.666 1.00 0.00 O ATOM 488 CB ARG A 32 -7.749 -10.428 4.516 1.00 0.00 C ATOM 489 CG ARG A 32 -7.088 -11.672 5.113 1.00 0.00 C ATOM 490 CD ARG A 32 -5.793 -11.272 5.823 1.00 0.00 C ATOM 491 NE ARG A 32 -6.232 -10.657 7.107 1.00 0.00 N ATOM 492 CZ ARG A 32 -5.358 -10.408 8.043 1.00 0.00 C ATOM 493 NH1 ARG A 32 -4.500 -11.326 8.395 1.00 0.00 N ATOM 494 NH2 ARG A 32 -5.340 -9.241 8.626 1.00 0.00 N ATOM 0 H ARG A 32 -8.446 -8.516 3.121 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.832 -10.994 2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.216 -9.532 4.834 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.772 -10.337 4.881 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.766 -12.155 5.816 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.875 -12.396 4.327 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.155 -12.138 5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.216 -10.567 5.224 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.216 -10.431 7.254 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.513 -12.238 7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.817 -11.132 9.127 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.010 -8.523 8.350 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.656 -9.047 9.358 1.00 0.00 H new ATOM 508 N GLU A 33 -8.630 -12.512 1.910 1.00 0.00 N ATOM 509 CA GLU A 33 -9.730 -13.391 1.416 1.00 0.00 C ATOM 510 C GLU A 33 -9.765 -14.697 2.215 1.00 0.00 C ATOM 511 O GLU A 33 -8.890 -14.972 3.012 1.00 0.00 O ATOM 512 CB GLU A 33 -9.387 -13.670 -0.048 1.00 0.00 C ATOM 513 CG GLU A 33 -10.608 -13.376 -0.923 1.00 0.00 C ATOM 514 CD GLU A 33 -10.462 -14.102 -2.262 1.00 0.00 C ATOM 515 OE1 GLU A 33 -9.648 -15.007 -2.338 1.00 0.00 O ATOM 516 OE2 GLU A 33 -11.167 -13.739 -3.190 1.00 0.00 O ATOM 0 H GLU A 33 -7.686 -12.862 1.745 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.709 -12.925 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.545 -13.051 -0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.081 -14.709 -0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.518 -13.701 -0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.701 -12.302 -1.087 1.00 0.00 H new ATOM 523 N ALA A 34 -10.769 -15.503 2.007 1.00 0.00 N ATOM 524 CA ALA A 34 -10.859 -16.790 2.755 1.00 0.00 C ATOM 525 C ALA A 34 -9.887 -17.814 2.162 1.00 0.00 C ATOM 526 O ALA A 34 -9.576 -18.815 2.776 1.00 0.00 O ATOM 527 CB ALA A 34 -12.304 -17.254 2.573 1.00 0.00 C ATOM 0 H ALA A 34 -11.531 -15.327 1.352 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.598 -16.676 3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.451 -18.199 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.981 -16.504 2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.511 -17.391 1.512 1.00 0.00 H new ATOM 533 N ARG A 35 -9.405 -17.572 0.974 1.00 0.00 N ATOM 534 CA ARG A 35 -8.454 -18.534 0.345 1.00 0.00 C ATOM 535 C ARG A 35 -7.100 -17.861 0.104 1.00 0.00 C ATOM 536 O ARG A 35 -6.140 -18.499 -0.282 1.00 0.00 O ATOM 537 CB ARG A 35 -9.104 -18.923 -0.983 1.00 0.00 C ATOM 538 CG ARG A 35 -9.955 -20.178 -0.785 1.00 0.00 C ATOM 539 CD ARG A 35 -10.158 -20.877 -2.131 1.00 0.00 C ATOM 540 NE ARG A 35 -11.626 -21.101 -2.231 1.00 0.00 N ATOM 541 CZ ARG A 35 -12.273 -20.721 -3.298 1.00 0.00 C ATOM 542 NH1 ARG A 35 -11.655 -20.648 -4.445 1.00 0.00 N ATOM 543 NH2 ARG A 35 -13.539 -20.415 -3.220 1.00 0.00 N ATOM 0 H ARG A 35 -9.628 -16.751 0.411 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.267 -19.402 0.977 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.723 -18.105 -1.351 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.337 -19.105 -1.736 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.467 -20.854 -0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.920 -19.911 -0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.796 -20.261 -2.954 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.611 -21.819 -2.173 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.126 -21.552 -1.465 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.666 -20.888 -4.507 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.161 -20.351 -5.279 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.023 -20.473 -2.324 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.044 -20.118 -4.055 1.00 0.00 H new ATOM 557 N GLY A 36 -7.014 -16.579 0.328 1.00 0.00 N ATOM 558 CA GLY A 36 -5.719 -15.871 0.109 1.00 0.00 C ATOM 559 C GLY A 36 -5.907 -14.373 0.349 1.00 0.00 C ATOM 560 O GLY A 36 -6.932 -13.933 0.830 1.00 0.00 O ATOM 0 H GLY A 36 -7.782 -15.991 0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.959 -16.265 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.365 -16.045 -0.907 1.00 0.00 H new ATOM 564 N THR A 37 -4.923 -13.582 0.014 1.00 0.00 N ATOM 565 CA THR A 37 -5.046 -12.111 0.222 1.00 0.00 C ATOM 566 C THR A 37 -4.264 -11.357 -0.858 1.00 0.00 C ATOM 567 O THR A 37 -3.271 -11.836 -1.368 1.00 0.00 O ATOM 568 CB THR A 37 -4.436 -11.852 1.601 1.00 0.00 C ATOM 569 OG1 THR A 37 -4.308 -10.451 1.802 1.00 0.00 O ATOM 570 CG2 THR A 37 -3.057 -12.509 1.682 1.00 0.00 C ATOM 0 H THR A 37 -4.041 -13.891 -0.394 1.00 0.00 H new ATOM 0 HA THR A 37 -6.080 -11.772 0.163 1.00 0.00 H new ATOM 0 HB THR A 37 -5.082 -12.274 2.371 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.096 -9.995 1.439 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.623 -12.324 2.665 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.156 -13.583 1.525 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.408 -12.089 0.914 1.00 0.00 H new ATOM 578 N ARG A 38 -4.705 -10.180 -1.209 1.00 0.00 N ATOM 579 CA ARG A 38 -3.987 -9.395 -2.254 1.00 0.00 C ATOM 580 C ARG A 38 -3.583 -8.027 -1.699 1.00 0.00 C ATOM 581 O ARG A 38 -4.272 -7.451 -0.880 1.00 0.00 O ATOM 582 CB ARG A 38 -4.992 -9.238 -3.394 1.00 0.00 C ATOM 583 CG ARG A 38 -4.301 -9.529 -4.727 1.00 0.00 C ATOM 584 CD ARG A 38 -5.288 -9.306 -5.875 1.00 0.00 C ATOM 585 NE ARG A 38 -4.437 -9.006 -7.060 1.00 0.00 N ATOM 586 CZ ARG A 38 -4.822 -9.375 -8.250 1.00 0.00 C ATOM 587 NH1 ARG A 38 -4.520 -10.564 -8.695 1.00 0.00 N ATOM 588 NH2 ARG A 38 -5.510 -8.555 -8.997 1.00 0.00 N ATOM 0 H ARG A 38 -5.531 -9.728 -0.818 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.072 -9.886 -2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.830 -9.920 -3.250 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.400 -8.227 -3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.434 -8.880 -4.848 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.935 -10.556 -4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.903 -10.190 -6.044 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.967 -8.482 -5.658 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.553 -8.512 -6.941 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.982 -11.205 -8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.822 -10.852 -9.626 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.747 -7.625 -8.650 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.811 -8.844 -9.928 1.00 0.00 H new ATOM 602 N ILE A 39 -2.472 -7.501 -2.136 1.00 0.00 N ATOM 603 CA ILE A 39 -2.027 -6.171 -1.630 1.00 0.00 C ATOM 604 C ILE A 39 -2.096 -5.130 -2.750 1.00 0.00 C ATOM 605 O ILE A 39 -1.556 -5.319 -3.822 1.00 0.00 O ATOM 606 CB ILE A 39 -0.583 -6.386 -1.172 1.00 0.00 C ATOM 607 CG1 ILE A 39 -0.584 -7.066 0.200 1.00 0.00 C ATOM 608 CG2 ILE A 39 0.134 -5.038 -1.066 1.00 0.00 C ATOM 609 CD1 ILE A 39 0.410 -8.229 0.196 1.00 0.00 C ATOM 0 H ILE A 39 -1.853 -7.934 -2.821 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.656 -5.801 -0.821 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.065 -7.014 -1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.315 -6.347 0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.584 -7.430 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.162 -5.197 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.134 -4.549 -2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.383 -4.407 -0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.409 -8.712 1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.121 -8.952 -0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.410 -7.853 -0.021 1.00 0.00 H new ATOM 621 N GLU A 40 -2.753 -4.029 -2.506 1.00 0.00 N ATOM 622 CA GLU A 40 -2.855 -2.974 -3.554 1.00 0.00 C ATOM 623 C GLU A 40 -1.861 -1.847 -3.262 1.00 0.00 C ATOM 624 O GLU A 40 -1.470 -1.627 -2.133 1.00 0.00 O ATOM 625 CB GLU A 40 -4.291 -2.459 -3.462 1.00 0.00 C ATOM 626 CG GLU A 40 -4.857 -2.277 -4.871 1.00 0.00 C ATOM 627 CD GLU A 40 -5.801 -3.437 -5.197 1.00 0.00 C ATOM 628 OE1 GLU A 40 -5.579 -4.519 -4.678 1.00 0.00 O ATOM 629 OE2 GLU A 40 -6.729 -3.223 -5.958 1.00 0.00 O ATOM 0 H GLU A 40 -3.223 -3.814 -1.627 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.624 -3.355 -4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.906 -3.162 -2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.315 -1.512 -2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.391 -1.329 -4.940 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.046 -2.239 -5.598 1.00 0.00 H new ATOM 636 N ARG A 41 -1.450 -1.133 -4.273 1.00 0.00 N ATOM 637 CA ARG A 41 -0.481 -0.021 -4.056 1.00 0.00 C ATOM 638 C ARG A 41 -1.071 1.296 -4.569 1.00 0.00 C ATOM 639 O ARG A 41 -2.186 1.340 -5.048 1.00 0.00 O ATOM 640 CB ARG A 41 0.762 -0.406 -4.864 1.00 0.00 C ATOM 641 CG ARG A 41 1.033 -1.907 -4.717 1.00 0.00 C ATOM 642 CD ARG A 41 0.207 -2.676 -5.751 1.00 0.00 C ATOM 643 NE ARG A 41 1.098 -3.775 -6.214 1.00 0.00 N ATOM 644 CZ ARG A 41 0.997 -4.225 -7.435 1.00 0.00 C ATOM 645 NH1 ARG A 41 -0.175 -4.314 -8.002 1.00 0.00 N ATOM 646 NH2 ARG A 41 2.067 -4.586 -8.089 1.00 0.00 N ATOM 0 H ARG A 41 -1.743 -1.271 -5.240 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.247 0.123 -3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.616 -0.155 -5.915 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.624 0.164 -4.517 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.094 -2.112 -4.858 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.775 -2.238 -3.711 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.709 -3.069 -5.311 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.088 -2.032 -6.579 1.00 0.00 H new ATOM 0 HE ARG A 41 1.787 -4.176 -5.578 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.011 -4.032 -7.491 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.255 -4.666 -8.956 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.983 -4.517 -7.646 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.987 -4.938 -9.043 1.00 0.00 H new ATOM 660 N GLY A 42 -0.333 2.367 -4.472 1.00 0.00 N ATOM 661 CA GLY A 42 -0.857 3.676 -4.956 1.00 0.00 C ATOM 662 C GLY A 42 -0.541 4.765 -3.930 1.00 0.00 C ATOM 663 O GLY A 42 -0.269 4.487 -2.779 1.00 0.00 O ATOM 0 H GLY A 42 0.608 2.393 -4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.408 3.926 -5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.934 3.612 -5.114 1.00 0.00 H new ATOM 667 N CYS A 43 -0.576 6.003 -4.338 1.00 0.00 N ATOM 668 CA CYS A 43 -0.279 7.111 -3.385 1.00 0.00 C ATOM 669 C CYS A 43 -1.520 7.984 -3.185 1.00 0.00 C ATOM 670 O CYS A 43 -2.095 8.491 -4.128 1.00 0.00 O ATOM 671 CB CYS A 43 0.841 7.913 -4.051 1.00 0.00 C ATOM 672 SG CYS A 43 2.325 7.848 -3.018 1.00 0.00 S ATOM 0 H CYS A 43 -0.797 6.296 -5.290 1.00 0.00 H new ATOM 0 HA CYS A 43 0.011 6.744 -2.400 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.055 7.507 -5.040 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.528 8.948 -4.192 1.00 0.00 H new ATOM 677 N ALA A 44 -1.940 8.162 -1.961 1.00 0.00 N ATOM 678 CA ALA A 44 -3.146 8.999 -1.703 1.00 0.00 C ATOM 679 C ALA A 44 -2.959 9.819 -0.424 1.00 0.00 C ATOM 680 O ALA A 44 -1.874 9.907 0.115 1.00 0.00 O ATOM 681 CB ALA A 44 -4.294 8.004 -1.531 1.00 0.00 C ATOM 0 H ALA A 44 -1.501 7.765 -1.131 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.334 9.705 -2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.219 8.546 -1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.403 7.414 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.079 7.342 -0.692 1.00 0.00 H new ATOM 687 N ALA A 45 -4.011 10.416 0.066 1.00 0.00 N ATOM 688 CA ALA A 45 -3.895 11.227 1.311 1.00 0.00 C ATOM 689 C ALA A 45 -4.696 10.571 2.436 1.00 0.00 C ATOM 690 O ALA A 45 -4.364 10.689 3.598 1.00 0.00 O ATOM 691 CB ALA A 45 -4.489 12.589 0.952 1.00 0.00 C ATOM 0 H ALA A 45 -4.945 10.377 -0.342 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.865 11.312 1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.441 13.247 1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.922 13.028 0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.528 12.464 0.649 1.00 0.00 H new ATOM 697 N THR A 46 -5.746 9.877 2.098 1.00 0.00 N ATOM 698 CA THR A 46 -6.564 9.210 3.147 1.00 0.00 C ATOM 699 C THR A 46 -6.917 7.787 2.714 1.00 0.00 C ATOM 700 O THR A 46 -7.557 7.573 1.703 1.00 0.00 O ATOM 701 CB THR A 46 -7.828 10.057 3.275 1.00 0.00 C ATOM 702 OG1 THR A 46 -8.131 10.646 2.016 1.00 0.00 O ATOM 703 CG2 THR A 46 -7.608 11.155 4.316 1.00 0.00 C ATOM 0 H THR A 46 -6.073 9.743 1.141 1.00 0.00 H new ATOM 0 HA THR A 46 -6.031 9.134 4.095 1.00 0.00 H new ATOM 0 HB THR A 46 -8.658 9.425 3.590 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.943 11.189 2.096 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.512 11.758 4.405 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.378 10.701 5.280 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.778 11.789 4.006 1.00 0.00 H new ATOM 711 N CYS A 47 -6.501 6.817 3.473 1.00 0.00 N ATOM 712 CA CYS A 47 -6.805 5.403 3.113 1.00 0.00 C ATOM 713 C CYS A 47 -7.490 4.689 4.283 1.00 0.00 C ATOM 714 O CYS A 47 -7.086 3.611 4.672 1.00 0.00 O ATOM 715 CB CYS A 47 -5.448 4.763 2.813 1.00 0.00 C ATOM 716 SG CYS A 47 -4.242 5.238 4.080 1.00 0.00 S ATOM 0 H CYS A 47 -5.962 6.940 4.330 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.482 5.335 2.262 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.548 3.678 2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.098 5.078 1.830 1.00 0.00 H new ATOM 721 N PRO A 48 -8.510 5.316 4.802 1.00 0.00 N ATOM 722 CA PRO A 48 -9.265 4.733 5.936 1.00 0.00 C ATOM 723 C PRO A 48 -10.157 3.589 5.443 1.00 0.00 C ATOM 724 O PRO A 48 -10.786 3.682 4.409 1.00 0.00 O ATOM 725 CB PRO A 48 -10.109 5.897 6.442 1.00 0.00 C ATOM 726 CG PRO A 48 -10.259 6.811 5.267 1.00 0.00 C ATOM 727 CD PRO A 48 -9.050 6.615 4.387 1.00 0.00 C ATOM 0 HA PRO A 48 -8.623 4.312 6.710 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.079 5.554 6.800 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.622 6.403 7.276 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.174 6.585 4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.332 7.848 5.594 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -9.322 6.615 3.331 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.321 7.413 4.528 1.00 0.00 H new ATOM 735 N LYS A 49 -10.213 2.509 6.173 1.00 0.00 N ATOM 736 CA LYS A 49 -11.065 1.364 5.740 1.00 0.00 C ATOM 737 C LYS A 49 -10.980 0.227 6.762 1.00 0.00 C ATOM 738 O LYS A 49 -10.676 0.441 7.919 1.00 0.00 O ATOM 739 CB LYS A 49 -10.480 0.924 4.397 1.00 0.00 C ATOM 740 CG LYS A 49 -11.616 0.622 3.418 1.00 0.00 C ATOM 741 CD LYS A 49 -11.119 0.811 1.983 1.00 0.00 C ATOM 742 CE LYS A 49 -12.278 1.278 1.098 1.00 0.00 C ATOM 743 NZ LYS A 49 -11.677 2.283 0.178 1.00 0.00 N ATOM 0 H LYS A 49 -9.708 2.369 7.048 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.117 1.638 5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.838 1.707 3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.858 0.039 4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.970 -0.399 3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.461 1.282 3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.312 1.543 1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.711 -0.125 1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.713 0.446 0.544 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.078 1.717 1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.410 2.650 -0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.277 3.066 0.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.923 1.835 -0.381 1.00 0.00 H new ATOM 757 N GLY A 50 -11.248 -0.980 6.345 1.00 0.00 N ATOM 758 CA GLY A 50 -11.182 -2.128 7.294 1.00 0.00 C ATOM 759 C GLY A 50 -12.590 -2.676 7.534 1.00 0.00 C ATOM 760 O GLY A 50 -13.493 -1.952 7.904 1.00 0.00 O ATOM 0 H GLY A 50 -11.510 -1.221 5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.540 -2.911 6.890 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.739 -1.808 8.237 1.00 0.00 H new ATOM 764 N SER A 51 -12.783 -3.949 7.326 1.00 0.00 N ATOM 765 CA SER A 51 -14.134 -4.544 7.544 1.00 0.00 C ATOM 766 C SER A 51 -14.005 -6.032 7.880 1.00 0.00 C ATOM 767 O SER A 51 -12.942 -6.612 7.779 1.00 0.00 O ATOM 768 CB SER A 51 -14.869 -4.354 6.219 1.00 0.00 C ATOM 769 OG SER A 51 -16.236 -4.707 6.387 1.00 0.00 O ATOM 0 H SER A 51 -12.065 -4.603 7.015 1.00 0.00 H new ATOM 0 HA SER A 51 -14.665 -4.076 8.373 1.00 0.00 H new ATOM 0 HB2 SER A 51 -14.787 -3.318 5.889 1.00 0.00 H new ATOM 0 HB3 SER A 51 -14.414 -4.972 5.445 1.00 0.00 H new ATOM 0 HG SER A 51 -16.712 -4.585 5.539 1.00 0.00 H new ATOM 775 N VAL A 52 -15.081 -6.654 8.278 1.00 0.00 N ATOM 776 CA VAL A 52 -15.020 -8.103 8.619 1.00 0.00 C ATOM 777 C VAL A 52 -14.218 -8.865 7.560 1.00 0.00 C ATOM 778 O VAL A 52 -13.642 -9.900 7.829 1.00 0.00 O ATOM 779 CB VAL A 52 -16.476 -8.569 8.624 1.00 0.00 C ATOM 780 CG1 VAL A 52 -17.061 -8.430 7.218 1.00 0.00 C ATOM 781 CG2 VAL A 52 -16.541 -10.033 9.061 1.00 0.00 C ATOM 0 H VAL A 52 -15.999 -6.222 8.382 1.00 0.00 H new ATOM 0 HA VAL A 52 -14.530 -8.281 9.576 1.00 0.00 H new ATOM 0 HB VAL A 52 -17.051 -7.957 9.319 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -18.099 -8.762 7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.015 -7.387 6.906 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -16.486 -9.042 6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -17.579 -10.366 9.065 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -15.966 -10.646 8.367 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -16.124 -10.132 10.063 1.00 0.00 H new ATOM 791 N TYR A 53 -14.175 -8.359 6.358 1.00 0.00 N ATOM 792 CA TYR A 53 -13.408 -9.055 5.284 1.00 0.00 C ATOM 793 C TYR A 53 -11.912 -9.040 5.607 1.00 0.00 C ATOM 794 O TYR A 53 -11.247 -10.057 5.561 1.00 0.00 O ATOM 795 CB TYR A 53 -13.691 -8.255 4.012 1.00 0.00 C ATOM 796 CG TYR A 53 -14.912 -8.819 3.324 1.00 0.00 C ATOM 797 CD1 TYR A 53 -14.847 -10.072 2.703 1.00 0.00 C ATOM 798 CD2 TYR A 53 -16.107 -8.090 3.308 1.00 0.00 C ATOM 799 CE1 TYR A 53 -15.979 -10.597 2.066 1.00 0.00 C ATOM 800 CE2 TYR A 53 -17.239 -8.615 2.672 1.00 0.00 C ATOM 801 CZ TYR A 53 -17.175 -9.867 2.050 1.00 0.00 C ATOM 802 OH TYR A 53 -18.289 -10.385 1.423 1.00 0.00 O ATOM 0 H TYR A 53 -14.637 -7.495 6.073 1.00 0.00 H new ATOM 0 HA TYR A 53 -13.699 -10.100 5.180 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -13.851 -7.205 4.258 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -12.831 -8.298 3.343 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -13.925 -10.634 2.715 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -16.156 -7.123 3.786 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -15.930 -11.564 1.587 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -18.162 -8.054 2.662 1.00 0.00 H new ATOM 0 HH TYR A 53 -19.034 -9.753 1.505 1.00 0.00 H new ATOM 812 N GLY A 54 -11.377 -7.896 5.931 1.00 0.00 N ATOM 813 CA GLY A 54 -9.924 -7.817 6.255 1.00 0.00 C ATOM 814 C GLY A 54 -9.259 -6.773 5.358 1.00 0.00 C ATOM 815 O GLY A 54 -8.184 -6.985 4.833 1.00 0.00 O ATOM 0 H GLY A 54 -11.883 -7.012 5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.788 -7.551 7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.454 -8.790 6.109 1.00 0.00 H new ATOM 819 N LEU A 55 -9.891 -5.647 5.176 1.00 0.00 N ATOM 820 CA LEU A 55 -9.297 -4.588 4.312 1.00 0.00 C ATOM 821 C LEU A 55 -8.230 -3.812 5.088 1.00 0.00 C ATOM 822 O LEU A 55 -8.516 -2.829 5.740 1.00 0.00 O ATOM 823 CB LEU A 55 -10.466 -3.673 3.949 1.00 0.00 C ATOM 824 CG LEU A 55 -10.749 -3.773 2.450 1.00 0.00 C ATOM 825 CD1 LEU A 55 -12.046 -3.032 2.126 1.00 0.00 C ATOM 826 CD2 LEU A 55 -9.592 -3.142 1.672 1.00 0.00 C ATOM 0 H LEU A 55 -10.794 -5.414 5.589 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.811 -5.000 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.353 -3.956 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.232 -2.643 4.217 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.850 -4.821 2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.248 -3.103 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.870 -3.480 2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.946 -1.984 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.792 -3.212 0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.492 -2.094 1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.667 -3.670 1.904 1.00 0.00 H new ATOM 838 N TYR A 56 -7.001 -4.247 5.024 1.00 0.00 N ATOM 839 CA TYR A 56 -5.920 -3.533 5.761 1.00 0.00 C ATOM 840 C TYR A 56 -5.414 -2.343 4.941 1.00 0.00 C ATOM 841 O TYR A 56 -4.829 -2.505 3.889 1.00 0.00 O ATOM 842 CB TYR A 56 -4.810 -4.570 5.940 1.00 0.00 C ATOM 843 CG TYR A 56 -3.629 -3.923 6.623 1.00 0.00 C ATOM 844 CD1 TYR A 56 -3.834 -3.057 7.704 1.00 0.00 C ATOM 845 CD2 TYR A 56 -2.329 -4.187 6.176 1.00 0.00 C ATOM 846 CE1 TYR A 56 -2.740 -2.455 8.337 1.00 0.00 C ATOM 847 CE2 TYR A 56 -1.234 -3.586 6.808 1.00 0.00 C ATOM 848 CZ TYR A 56 -1.440 -2.720 7.888 1.00 0.00 C ATOM 849 OH TYR A 56 -0.361 -2.125 8.512 1.00 0.00 O ATOM 0 H TYR A 56 -6.699 -5.065 4.494 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.266 -3.136 6.715 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -5.173 -5.409 6.533 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.510 -4.970 4.971 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.837 -2.853 8.050 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.171 -4.855 5.342 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.898 -1.787 9.171 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.231 -3.790 6.463 1.00 0.00 H new ATOM 0 HH TYR A 56 0.469 -2.415 8.079 1.00 0.00 H new ATOM 859 N VAL A 57 -5.638 -1.148 5.417 1.00 0.00 N ATOM 860 CA VAL A 57 -5.172 0.053 4.671 1.00 0.00 C ATOM 861 C VAL A 57 -4.243 0.892 5.551 1.00 0.00 C ATOM 862 O VAL A 57 -4.472 1.053 6.734 1.00 0.00 O ATOM 863 CB VAL A 57 -6.447 0.829 4.345 1.00 0.00 C ATOM 864 CG1 VAL A 57 -7.215 0.109 3.236 1.00 0.00 C ATOM 865 CG2 VAL A 57 -7.322 0.915 5.597 1.00 0.00 C ATOM 0 H VAL A 57 -6.125 -0.953 6.292 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.610 -0.206 3.774 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.186 1.833 4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.124 0.663 3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.592 0.045 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.477 -0.896 3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.233 1.468 5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.582 -0.090 5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.776 1.428 6.388 1.00 0.00 H new ATOM 875 N LEU A 58 -3.197 1.428 4.987 1.00 0.00 N ATOM 876 CA LEU A 58 -2.256 2.255 5.796 1.00 0.00 C ATOM 877 C LEU A 58 -1.463 3.197 4.886 1.00 0.00 C ATOM 878 O LEU A 58 -0.860 2.780 3.917 1.00 0.00 O ATOM 879 CB LEU A 58 -1.324 1.249 6.470 1.00 0.00 C ATOM 880 CG LEU A 58 -0.774 1.849 7.766 1.00 0.00 C ATOM 881 CD1 LEU A 58 -1.882 1.894 8.820 1.00 0.00 C ATOM 882 CD2 LEU A 58 0.379 0.982 8.277 1.00 0.00 C ATOM 0 H LEU A 58 -2.952 1.330 4.002 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.775 2.880 6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.862 0.326 6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.504 0.992 5.800 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.415 2.860 7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.489 2.321 9.743 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.705 2.509 8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.242 0.883 9.013 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.773 1.407 9.200 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.017 -0.028 8.468 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.169 0.949 7.527 1.00 0.00 H new ATOM 894 N CYS A 59 -1.458 4.466 5.193 1.00 0.00 N ATOM 895 CA CYS A 59 -0.702 5.434 4.347 1.00 0.00 C ATOM 896 C CYS A 59 0.641 5.765 5.001 1.00 0.00 C ATOM 897 O CYS A 59 0.700 6.193 6.137 1.00 0.00 O ATOM 898 CB CYS A 59 -1.588 6.678 4.283 1.00 0.00 C ATOM 899 SG CYS A 59 -2.924 6.409 3.092 1.00 0.00 S ATOM 0 H CYS A 59 -1.944 4.874 5.992 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.485 5.037 3.355 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.003 6.893 5.268 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -0.995 7.545 3.991 1.00 0.00 H new ATOM 904 N CYS A 60 1.722 5.568 4.297 1.00 0.00 N ATOM 905 CA CYS A 60 3.058 5.871 4.887 1.00 0.00 C ATOM 906 C CYS A 60 3.656 7.126 4.244 1.00 0.00 C ATOM 907 O CYS A 60 3.253 7.543 3.176 1.00 0.00 O ATOM 908 CB CYS A 60 3.924 4.656 4.561 1.00 0.00 C ATOM 909 SG CYS A 60 5.236 4.502 5.794 1.00 0.00 S ATOM 0 H CYS A 60 1.739 5.211 3.342 1.00 0.00 H new ATOM 0 HA CYS A 60 2.994 6.058 5.959 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.313 3.753 4.550 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.356 4.761 3.566 1.00 0.00 H new ATOM 914 N THR A 61 4.624 7.724 4.884 1.00 0.00 N ATOM 915 CA THR A 61 5.258 8.942 4.312 1.00 0.00 C ATOM 916 C THR A 61 6.626 9.182 4.961 1.00 0.00 C ATOM 917 O THR A 61 6.853 10.197 5.588 1.00 0.00 O ATOM 918 CB THR A 61 4.297 10.086 4.639 1.00 0.00 C ATOM 919 OG1 THR A 61 4.842 11.309 4.164 1.00 0.00 O ATOM 920 CG2 THR A 61 4.092 10.170 6.153 1.00 0.00 C ATOM 0 H THR A 61 5.003 7.419 5.781 1.00 0.00 H new ATOM 0 HA THR A 61 5.428 8.852 3.239 1.00 0.00 H new ATOM 0 HB THR A 61 3.337 9.903 4.156 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.736 11.438 4.544 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.407 10.986 6.383 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.673 9.231 6.516 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.050 10.352 6.640 1.00 0.00 H new ATOM 928 N THR A 62 7.539 8.257 4.821 1.00 0.00 N ATOM 929 CA THR A 62 8.886 8.449 5.438 1.00 0.00 C ATOM 930 C THR A 62 9.889 7.429 4.886 1.00 0.00 C ATOM 931 O THR A 62 10.123 6.393 5.476 1.00 0.00 O ATOM 932 CB THR A 62 8.668 8.228 6.935 1.00 0.00 C ATOM 933 OG1 THR A 62 9.905 8.377 7.618 1.00 0.00 O ATOM 934 CG2 THR A 62 8.118 6.820 7.171 1.00 0.00 C ATOM 0 H THR A 62 7.413 7.383 4.310 1.00 0.00 H new ATOM 0 HA THR A 62 9.296 9.435 5.221 1.00 0.00 H new ATOM 0 HB THR A 62 7.954 8.961 7.311 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.767 8.237 8.578 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.963 6.664 8.239 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.169 6.707 6.646 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.829 6.084 6.796 1.00 0.00 H new ATOM 942 N ASP A 63 10.493 7.723 3.767 1.00 0.00 N ATOM 943 CA ASP A 63 11.494 6.782 3.181 1.00 0.00 C ATOM 944 C ASP A 63 10.852 5.428 2.864 1.00 0.00 C ATOM 945 O ASP A 63 9.978 4.960 3.566 1.00 0.00 O ATOM 946 CB ASP A 63 12.565 6.626 4.261 1.00 0.00 C ATOM 947 CG ASP A 63 13.947 6.592 3.606 1.00 0.00 C ATOM 948 OD1 ASP A 63 14.277 7.540 2.912 1.00 0.00 O ATOM 949 OD2 ASP A 63 14.654 5.617 3.810 1.00 0.00 O ATOM 0 H ASP A 63 10.337 8.576 3.231 1.00 0.00 H new ATOM 0 HA ASP A 63 11.903 7.157 2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.506 7.453 4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.396 5.710 4.827 1.00 0.00 H new ATOM 954 N ASP A 64 11.291 4.794 1.809 1.00 0.00 N ATOM 955 CA ASP A 64 10.722 3.462 1.430 1.00 0.00 C ATOM 956 C ASP A 64 9.210 3.558 1.175 1.00 0.00 C ATOM 957 O ASP A 64 8.766 3.499 0.045 1.00 0.00 O ATOM 958 CB ASP A 64 11.001 2.559 2.633 1.00 0.00 C ATOM 959 CG ASP A 64 11.835 1.358 2.187 1.00 0.00 C ATOM 960 OD1 ASP A 64 11.373 0.627 1.326 1.00 0.00 O ATOM 961 OD2 ASP A 64 12.923 1.188 2.714 1.00 0.00 O ATOM 0 H ASP A 64 12.023 5.141 1.189 1.00 0.00 H new ATOM 0 HA ASP A 64 11.166 3.081 0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.531 3.117 3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.063 2.221 3.072 1.00 0.00 H new ATOM 966 N CYS A 65 8.410 3.705 2.203 1.00 0.00 N ATOM 967 CA CYS A 65 6.945 3.804 1.989 1.00 0.00 C ATOM 968 C CYS A 65 6.546 5.270 1.787 1.00 0.00 C ATOM 969 O CYS A 65 5.442 5.670 2.089 1.00 0.00 O ATOM 970 CB CYS A 65 6.335 3.237 3.272 1.00 0.00 C ATOM 971 SG CYS A 65 6.900 4.216 4.690 1.00 0.00 S ATOM 0 H CYS A 65 8.713 3.760 3.175 1.00 0.00 H new ATOM 0 HA CYS A 65 6.604 3.265 1.105 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.247 3.259 3.211 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.626 2.194 3.397 1.00 0.00 H new ATOM 976 N ASN A 66 7.441 6.073 1.278 1.00 0.00 N ATOM 977 CA ASN A 66 7.116 7.514 1.057 1.00 0.00 C ATOM 978 C ASN A 66 5.695 7.663 0.504 1.00 0.00 C ATOM 979 O ASN A 66 5.515 7.437 -0.681 1.00 0.00 O ATOM 980 CB ASN A 66 8.139 8.001 0.029 1.00 0.00 C ATOM 981 CG ASN A 66 9.542 7.950 0.636 1.00 0.00 C ATOM 982 OD1 ASN A 66 10.054 6.887 0.920 1.00 0.00 O ATOM 983 ND2 ASN A 66 10.190 9.063 0.846 1.00 0.00 N ATOM 984 OXT ASN A 66 4.812 7.998 1.276 1.00 0.00 O ATOM 0 H ASN A 66 8.384 5.795 1.005 1.00 0.00 H new ATOM 0 HA ASN A 66 7.159 8.088 1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.096 7.379 -0.865 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.902 9.019 -0.280 1.00 0.00 H new ATOM 0 HD21 ASN A 66 11.127 9.040 1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.760 9.956 0.607 1.00 0.00 H new TER 991 ASN A 66