USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 0 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 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 17 SER OG : rot 79:sc= 1.28 USER MOD Set 2.2: A 18 ASN : amide:sc= 1.14 K(o=2.4,f=0.0032) USER MOD Set 3.1: A 1 TYR N :NH3+ 173:sc= 1.3 (180deg=1.18) USER MOD Set 3.2: A 49 TYR OH : rot 30:sc= 0.303 USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0.543 K(o=0.54,f=-5.8!) USER MOD Single : A 7 LYS NZ :NH3+ 175:sc= 1.7 (180deg=1.67) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.0962 K(o=0.096,f=-6.9!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 3:sc= 1.47 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -95:sc= 1.36 USER MOD Single : A 52 TYR OH : rot 44:sc= 0.131 USER MOD Single : A 57 ASN : amide:sc= 0.472 K(o=0.47,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -0.599 8.321 0.390 1.00 0.00 N ATOM 2 CA TYR A 1 -0.281 8.217 1.839 1.00 0.00 C ATOM 3 C TYR A 1 -1.157 7.074 2.508 1.00 0.00 C ATOM 4 O TYR A 1 -1.265 5.991 1.928 1.00 0.00 O ATOM 5 CB TYR A 1 -0.345 9.670 2.429 1.00 0.00 C ATOM 6 CG TYR A 1 0.323 9.834 3.814 1.00 0.00 C ATOM 7 CD1 TYR A 1 1.717 9.776 3.931 1.00 0.00 C ATOM 8 CD2 TYR A 1 -0.451 10.056 4.960 1.00 0.00 C ATOM 9 CE1 TYR A 1 2.323 9.898 5.179 1.00 0.00 C ATOM 10 CE2 TYR A 1 0.160 10.176 6.208 1.00 0.00 C ATOM 11 CZ TYR A 1 1.546 10.092 6.315 1.00 0.00 C ATOM 12 OH TYR A 1 2.151 10.210 7.537 1.00 0.00 O ATOM 0 H1 TYR A 1 -0.111 9.146 -0.014 1.00 0.00 H new ATOM 0 H2 TYR A 1 -0.283 7.459 -0.098 1.00 0.00 H new ATOM 0 H3 TYR A 1 -1.626 8.431 0.267 1.00 0.00 H new ATOM 0 HA TYR A 1 0.729 7.872 2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 1 0.132 10.354 1.727 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -1.390 9.971 2.507 1.00 0.00 H new ATOM 0 HD1 TYR A 1 2.325 9.636 3.050 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -1.525 10.135 4.877 1.00 0.00 H new ATOM 0 HE1 TYR A 1 3.398 9.842 5.264 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -0.441 10.334 7.091 1.00 0.00 H new ATOM 0 HH TYR A 1 1.469 10.342 8.228 1.00 0.00 H new ATOM 13 N ASN A 2 -1.731 7.316 3.711 1.00 0.00 N ATOM 14 CA ASN A 2 -2.434 6.300 4.577 1.00 0.00 C ATOM 15 C ASN A 2 -2.551 4.784 4.141 1.00 0.00 C ATOM 16 O ASN A 2 -1.676 3.985 4.484 1.00 0.00 O ATOM 17 CB ASN A 2 -3.740 6.938 5.162 1.00 0.00 C ATOM 18 CG ASN A 2 -4.846 7.335 4.159 1.00 0.00 C ATOM 19 OD1 ASN A 2 -5.539 6.497 3.588 1.00 0.00 O ATOM 20 ND2 ASN A 2 -5.056 8.611 3.938 1.00 0.00 N ATOM 0 H ASN A 2 -1.725 8.246 4.131 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.706 6.098 5.363 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.169 6.234 5.876 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.458 7.829 5.723 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.792 8.903 3.295 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.483 9.311 4.410 1.00 0.00 H new ATOM 21 N ARG A 3 -3.618 4.390 3.417 1.00 0.00 N ATOM 22 CA ARG A 3 -3.906 2.943 3.131 1.00 0.00 C ATOM 23 C ARG A 3 -2.842 2.213 2.234 1.00 0.00 C ATOM 24 O ARG A 3 -2.445 1.090 2.550 1.00 0.00 O ATOM 25 CB ARG A 3 -5.335 2.835 2.519 1.00 0.00 C ATOM 26 CG ARG A 3 -6.487 3.135 3.519 1.00 0.00 C ATOM 27 CD ARG A 3 -7.839 3.308 2.795 1.00 0.00 C ATOM 28 NE ARG A 3 -8.961 3.572 3.749 1.00 0.00 N ATOM 29 CZ ARG A 3 -9.263 4.780 4.247 1.00 0.00 C ATOM 30 NH1 ARG A 3 -8.532 5.849 4.032 1.00 0.00 N ATOM 31 NH2 ARG A 3 -10.331 4.898 4.984 1.00 0.00 N ATOM 0 H ARG A 3 -4.298 5.036 3.016 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.847 2.415 4.083 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.410 3.526 1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.470 1.830 2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.562 2.323 4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.256 4.041 4.080 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.766 4.132 2.085 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.058 2.409 2.219 1.00 0.00 H new ATOM 0 HE ARG A 3 -9.535 2.780 4.040 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.689 5.784 3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.807 6.745 4.435 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.915 4.083 5.170 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.583 5.806 5.375 1.00 0.00 H new ATOM 32 N LEU A 4 -2.369 2.849 1.144 1.00 0.00 N ATOM 33 CA LEU A 4 -1.211 2.313 0.355 1.00 0.00 C ATOM 34 C LEU A 4 0.185 2.373 1.089 1.00 0.00 C ATOM 35 O LEU A 4 1.055 1.545 0.809 1.00 0.00 O ATOM 36 CB LEU A 4 -1.146 3.081 -1.003 1.00 0.00 C ATOM 37 CG LEU A 4 -2.258 2.727 -2.034 1.00 0.00 C ATOM 38 CD1 LEU A 4 -2.387 3.831 -3.098 1.00 0.00 C ATOM 39 CD2 LEU A 4 -1.956 1.395 -2.746 1.00 0.00 C ATOM 0 H LEU A 4 -2.755 3.722 0.783 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.396 1.249 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.194 4.150 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.176 2.888 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.192 2.637 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.170 3.563 -3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.643 4.774 -2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.440 3.940 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.750 1.175 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.005 1.472 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.898 0.594 -2.009 1.00 0.00 H new ATOM 40 N CYS A 5 0.410 3.361 1.982 1.00 0.00 N ATOM 41 CA CYS A 5 1.765 3.634 2.542 1.00 0.00 C ATOM 42 C CYS A 5 2.127 2.991 3.922 1.00 0.00 C ATOM 43 O CYS A 5 3.317 2.796 4.199 1.00 0.00 O ATOM 44 CB CYS A 5 1.877 5.163 2.640 1.00 0.00 C ATOM 45 SG CYS A 5 3.604 5.611 2.720 1.00 0.00 S ATOM 0 H CYS A 5 -0.319 3.982 2.333 1.00 0.00 H new ATOM 0 HA CYS A 5 2.479 3.160 1.868 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.405 5.632 1.776 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.352 5.524 3.525 1.00 0.00 H new ATOM 46 N ILE A 6 1.139 2.712 4.797 1.00 0.00 N ATOM 47 CA ILE A 6 1.416 2.196 6.176 1.00 0.00 C ATOM 48 C ILE A 6 1.520 0.627 6.133 1.00 0.00 C ATOM 49 O ILE A 6 0.652 -0.060 5.585 1.00 0.00 O ATOM 50 CB ILE A 6 0.312 2.720 7.178 1.00 0.00 C ATOM 51 CG1 ILE A 6 0.296 4.284 7.282 1.00 0.00 C ATOM 52 CG2 ILE A 6 0.491 2.123 8.604 1.00 0.00 C ATOM 53 CD1 ILE A 6 -0.958 4.864 7.966 1.00 0.00 C ATOM 0 H ILE A 6 0.148 2.830 4.587 1.00 0.00 H new ATOM 0 HA ILE A 6 2.371 2.572 6.543 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.640 2.385 6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.179 4.608 7.833 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.375 4.704 6.279 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.288 2.509 9.261 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.419 1.036 8.555 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.468 2.404 8.996 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.886 5.951 7.996 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.846 4.574 7.404 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.030 4.477 8.983 1.00 0.00 H new ATOM 54 N LYS A 7 2.584 0.075 6.751 1.00 0.00 N ATOM 55 CA LYS A 7 2.767 -1.401 6.839 1.00 0.00 C ATOM 56 C LYS A 7 2.084 -1.984 8.139 1.00 0.00 C ATOM 57 O LYS A 7 2.563 -1.686 9.241 1.00 0.00 O ATOM 58 CB LYS A 7 4.297 -1.684 6.843 1.00 0.00 C ATOM 59 CG LYS A 7 4.653 -3.190 6.747 1.00 0.00 C ATOM 60 CD LYS A 7 6.166 -3.431 6.919 1.00 0.00 C ATOM 61 CE LYS A 7 6.513 -4.925 6.799 1.00 0.00 C ATOM 62 NZ LYS A 7 7.961 -5.123 7.065 1.00 0.00 N ATOM 0 H LYS A 7 3.326 0.616 7.194 1.00 0.00 H new ATOM 0 HA LYS A 7 2.292 -1.889 5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.757 -1.157 6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.731 -1.275 7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.107 -3.742 7.512 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.330 -3.579 5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.714 -2.867 6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.487 -3.058 7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.920 -5.504 7.507 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.263 -5.288 5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.178 -6.140 7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.518 -4.652 6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.203 -4.716 7.991 1.00 0.00 H new ATOM 63 N PRO A 8 1.023 -2.850 8.077 1.00 0.00 N ATOM 64 CA PRO A 8 0.492 -3.534 9.290 1.00 0.00 C ATOM 65 C PRO A 8 1.382 -4.750 9.751 1.00 0.00 C ATOM 66 O PRO A 8 2.262 -5.228 9.024 1.00 0.00 O ATOM 67 CB PRO A 8 -0.917 -3.932 8.805 1.00 0.00 C ATOM 68 CG PRO A 8 -0.763 -4.174 7.302 1.00 0.00 C ATOM 69 CD PRO A 8 0.280 -3.155 6.836 1.00 0.00 C ATOM 0 HA PRO A 8 0.484 -2.919 10.190 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.272 -4.828 9.315 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.641 -3.143 9.006 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.435 -5.194 7.099 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.710 -4.034 6.782 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.932 -3.568 6.066 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.186 -2.264 6.415 1.00 0.00 H new ATOM 70 N ARG A 9 1.157 -5.232 10.991 1.00 0.00 N ATOM 71 CA ARG A 9 2.055 -6.264 11.607 1.00 0.00 C ATOM 72 C ARG A 9 1.921 -7.694 10.974 1.00 0.00 C ATOM 73 O ARG A 9 2.901 -8.216 10.435 1.00 0.00 O ATOM 74 CB ARG A 9 1.866 -6.289 13.156 1.00 0.00 C ATOM 75 CG ARG A 9 2.345 -5.001 13.883 1.00 0.00 C ATOM 76 CD ARG A 9 2.276 -5.088 15.428 1.00 0.00 C ATOM 77 NE ARG A 9 0.873 -5.157 15.950 1.00 0.00 N ATOM 78 CZ ARG A 9 0.098 -4.089 16.188 1.00 0.00 C ATOM 79 NH1 ARG A 9 0.491 -2.856 15.969 1.00 0.00 N ATOM 80 NH2 ARG A 9 -1.102 -4.282 16.656 1.00 0.00 N ATOM 0 H ARG A 9 0.381 -4.939 11.585 1.00 0.00 H new ATOM 0 HA ARG A 9 3.077 -5.960 11.380 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.811 -6.446 13.378 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.408 -7.143 13.562 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.372 -4.789 13.587 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.737 -4.160 13.549 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.825 -5.969 15.761 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.775 -4.219 15.858 1.00 0.00 H new ATOM 0 HE ARG A 9 0.481 -6.080 16.137 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.425 -2.676 15.601 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.138 -2.078 16.167 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.434 -5.230 16.834 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.710 -3.485 16.845 1.00 0.00 H new ATOM 81 N ASP A 10 0.731 -8.332 11.041 1.00 0.00 N ATOM 82 CA ASP A 10 0.538 -9.695 10.462 1.00 0.00 C ATOM 83 C ASP A 10 0.169 -9.586 8.943 1.00 0.00 C ATOM 84 O ASP A 10 -1.002 -9.443 8.579 1.00 0.00 O ATOM 85 CB ASP A 10 -0.532 -10.416 11.326 1.00 0.00 C ATOM 86 CG ASP A 10 -0.727 -11.892 10.966 1.00 0.00 C ATOM 87 OD1 ASP A 10 0.195 -12.693 10.853 1.00 0.00 O ATOM 88 OD2 ASP A 10 -2.039 -12.211 10.792 1.00 0.00 O ATOM 0 H ASP A 10 -0.101 -7.939 11.481 1.00 0.00 H new ATOM 0 HA ASP A 10 1.451 -10.290 10.491 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.247 -10.342 12.376 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.484 -9.896 11.217 1.00 0.00 H new ATOM 89 N TRP A 11 1.199 -9.614 8.072 1.00 0.00 N ATOM 90 CA TRP A 11 1.000 -9.295 6.620 1.00 0.00 C ATOM 91 C TRP A 11 1.821 -10.169 5.595 1.00 0.00 C ATOM 92 O TRP A 11 1.447 -10.205 4.422 1.00 0.00 O ATOM 93 CB TRP A 11 1.285 -7.770 6.449 1.00 0.00 C ATOM 94 CG TRP A 11 0.634 -7.162 5.199 1.00 0.00 C ATOM 95 CD1 TRP A 11 -0.748 -6.919 5.031 1.00 0.00 C ATOM 96 CD2 TRP A 11 1.225 -6.801 4.014 1.00 0.00 C ATOM 97 NE1 TRP A 11 -1.026 -6.382 3.754 1.00 0.00 N ATOM 98 CE2 TRP A 11 0.223 -6.334 3.147 1.00 0.00 C ATOM 99 CE3 TRP A 11 2.569 -6.908 3.582 1.00 0.00 C ATOM 100 CZ2 TRP A 11 0.542 -5.955 1.827 1.00 0.00 C ATOM 101 CZ3 TRP A 11 2.873 -6.532 2.271 1.00 0.00 C ATOM 102 CH2 TRP A 11 1.873 -6.052 1.408 1.00 0.00 C ATOM 0 H TRP A 11 2.159 -9.847 8.328 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.027 -9.554 6.363 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.925 -7.240 7.331 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.363 -7.613 6.401 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.497 -7.118 5.783 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.927 -6.098 3.370 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.338 -7.270 4.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.224 -5.598 1.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.890 -6.611 1.916 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.137 -5.753 0.404 1.00 0.00 H new ATOM 103 N ILE A 12 2.925 -10.843 6.009 1.00 0.00 N ATOM 104 CA ILE A 12 3.797 -11.656 5.082 1.00 0.00 C ATOM 105 C ILE A 12 4.616 -10.705 4.125 1.00 0.00 C ATOM 106 O ILE A 12 4.138 -10.254 3.081 1.00 0.00 O ATOM 107 CB ILE A 12 3.052 -12.875 4.399 1.00 0.00 C ATOM 108 CG1 ILE A 12 2.594 -13.915 5.476 1.00 0.00 C ATOM 109 CG2 ILE A 12 3.937 -13.593 3.341 1.00 0.00 C ATOM 110 CD1 ILE A 12 1.551 -14.938 4.990 1.00 0.00 C ATOM 0 H ILE A 12 3.244 -10.847 6.978 1.00 0.00 H new ATOM 0 HA ILE A 12 4.543 -12.179 5.680 1.00 0.00 H new ATOM 0 HB ILE A 12 2.183 -12.461 3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.471 -14.455 5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.182 -13.375 6.328 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.380 -14.421 2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.214 -12.887 2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.838 -13.975 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.297 -15.615 5.806 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.654 -14.414 4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.963 -15.510 4.159 1.00 0.00 H new ATOM 111 N ASP A 13 5.868 -10.412 4.529 1.00 0.00 N ATOM 112 CA ASP A 13 6.743 -9.423 3.817 1.00 0.00 C ATOM 113 C ASP A 13 8.057 -9.989 3.148 1.00 0.00 C ATOM 114 O ASP A 13 8.820 -9.212 2.561 1.00 0.00 O ATOM 115 CB ASP A 13 7.058 -8.296 4.855 1.00 0.00 C ATOM 116 CG ASP A 13 8.072 -8.595 5.985 1.00 0.00 C ATOM 117 OD1 ASP A 13 8.097 -9.909 6.356 1.00 0.00 O ATOM 118 OD2 ASP A 13 8.779 -7.726 6.487 1.00 0.00 O ATOM 0 H ASP A 13 6.308 -10.840 5.344 1.00 0.00 H new ATOM 0 HA ASP A 13 6.195 -9.061 2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.423 -7.430 4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.118 -8.004 5.322 1.00 0.00 H new ATOM 119 N GLU A 14 8.340 -11.306 3.255 1.00 0.00 N ATOM 120 CA GLU A 14 9.644 -11.894 2.805 1.00 0.00 C ATOM 121 C GLU A 14 9.415 -13.112 1.839 1.00 0.00 C ATOM 122 O GLU A 14 9.788 -14.253 2.121 1.00 0.00 O ATOM 123 CB GLU A 14 10.459 -12.255 4.089 1.00 0.00 C ATOM 124 CG GLU A 14 11.073 -11.016 4.806 1.00 0.00 C ATOM 125 CD GLU A 14 11.283 -11.211 6.305 1.00 0.00 C ATOM 126 OE1 GLU A 14 12.488 -11.777 6.592 1.00 0.00 O ATOM 127 OE2 GLU A 14 10.456 -10.878 7.152 1.00 0.00 O ATOM 0 H GLU A 14 7.692 -11.989 3.647 1.00 0.00 H new ATOM 0 HA GLU A 14 10.219 -11.180 2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.808 -12.782 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.261 -12.943 3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.030 -10.778 4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.420 -10.157 4.649 1.00 0.00 H new ATOM 128 N CYS A 15 8.830 -12.825 0.662 1.00 0.00 N ATOM 129 CA CYS A 15 8.533 -13.868 -0.374 1.00 0.00 C ATOM 130 C CYS A 15 9.610 -14.068 -1.512 1.00 0.00 C ATOM 131 O CYS A 15 9.373 -14.851 -2.434 1.00 0.00 O ATOM 132 CB CYS A 15 7.189 -13.389 -0.966 1.00 0.00 C ATOM 133 SG CYS A 15 6.558 -14.465 -2.259 1.00 0.00 S ATOM 0 H CYS A 15 8.548 -11.883 0.391 1.00 0.00 H new ATOM 0 HA CYS A 15 8.522 -14.854 0.089 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.451 -13.322 -0.167 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.315 -12.384 -1.369 1.00 0.00 H new ATOM 134 N ASP A 16 10.769 -13.365 -1.461 1.00 0.00 N ATOM 135 CA ASP A 16 11.773 -13.326 -2.578 1.00 0.00 C ATOM 136 C ASP A 16 11.228 -12.790 -3.962 1.00 0.00 C ATOM 137 O ASP A 16 10.034 -12.536 -4.147 1.00 0.00 O ATOM 138 CB ASP A 16 12.658 -14.619 -2.630 1.00 0.00 C ATOM 139 CG ASP A 16 12.029 -15.868 -3.256 1.00 0.00 C ATOM 140 OD1 ASP A 16 11.828 -15.998 -4.460 1.00 0.00 O ATOM 141 OD2 ASP A 16 11.735 -16.820 -2.325 1.00 0.00 O ATOM 0 H ASP A 16 11.042 -12.808 -0.652 1.00 0.00 H new ATOM 0 HA ASP A 16 12.471 -12.529 -2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.568 -14.385 -3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 16 12.958 -14.865 -1.611 1.00 0.00 H new ATOM 142 N SER A 17 12.140 -12.589 -4.931 1.00 0.00 N ATOM 143 CA SER A 17 11.758 -12.105 -6.293 1.00 0.00 C ATOM 144 C SER A 17 10.992 -13.128 -7.200 1.00 0.00 C ATOM 145 O SER A 17 10.090 -12.734 -7.944 1.00 0.00 O ATOM 146 CB SER A 17 13.041 -11.591 -6.997 1.00 0.00 C ATOM 147 OG SER A 17 14.026 -12.623 -7.157 1.00 0.00 O ATOM 0 H SER A 17 13.140 -12.749 -4.809 1.00 0.00 H new ATOM 0 HA SER A 17 11.027 -11.311 -6.143 1.00 0.00 H new ATOM 0 HB2 SER A 17 12.779 -11.187 -7.975 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.467 -10.772 -6.418 1.00 0.00 H new ATOM 0 HG SER A 17 13.786 -13.188 -7.921 1.00 0.00 H new ATOM 148 N ASN A 18 11.386 -14.414 -7.171 1.00 0.00 N ATOM 149 CA ASN A 18 10.907 -15.423 -8.168 1.00 0.00 C ATOM 150 C ASN A 18 9.741 -16.347 -7.665 1.00 0.00 C ATOM 151 O ASN A 18 8.962 -16.831 -8.492 1.00 0.00 O ATOM 152 CB ASN A 18 12.127 -16.270 -8.641 1.00 0.00 C ATOM 153 CG ASN A 18 13.197 -15.479 -9.427 1.00 0.00 C ATOM 154 OD1 ASN A 18 13.724 -14.464 -8.977 1.00 0.00 O ATOM 155 ND2 ASN A 18 13.554 -15.925 -10.608 1.00 0.00 N ATOM 0 H ASN A 18 12.031 -14.790 -6.477 1.00 0.00 H new ATOM 0 HA ASN A 18 10.470 -14.867 -8.997 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.598 -16.723 -7.768 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.765 -17.086 -9.267 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.265 -15.430 -11.147 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.121 -16.767 -10.988 1.00 0.00 H new ATOM 156 N GLU A 19 9.601 -16.599 -6.343 1.00 0.00 N ATOM 157 CA GLU A 19 8.482 -17.428 -5.799 1.00 0.00 C ATOM 158 C GLU A 19 7.140 -16.607 -5.733 1.00 0.00 C ATOM 159 O GLU A 19 6.704 -16.155 -4.669 1.00 0.00 O ATOM 160 CB GLU A 19 8.967 -17.936 -4.411 1.00 0.00 C ATOM 161 CG GLU A 19 8.056 -19.003 -3.756 1.00 0.00 C ATOM 162 CD GLU A 19 8.532 -19.366 -2.348 1.00 0.00 C ATOM 163 OE1 GLU A 19 9.631 -19.857 -2.106 1.00 0.00 O ATOM 164 OE2 GLU A 19 7.604 -19.071 -1.396 1.00 0.00 O ATOM 0 H GLU A 19 10.241 -16.246 -5.631 1.00 0.00 H new ATOM 0 HA GLU A 19 8.247 -18.275 -6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.968 -18.352 -4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.048 -17.084 -3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.033 -18.629 -3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.040 -19.899 -4.377 1.00 0.00 H new ATOM 165 N GLY A 20 6.513 -16.375 -6.905 1.00 0.00 N ATOM 166 CA GLY A 20 5.393 -15.392 -7.001 1.00 0.00 C ATOM 167 C GLY A 20 5.862 -13.926 -7.184 1.00 0.00 C ATOM 168 O GLY A 20 5.553 -13.289 -8.193 1.00 0.00 O ATOM 0 H GLY A 20 6.749 -16.838 -7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.752 -15.666 -7.839 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.785 -15.459 -6.099 1.00 0.00 H new ATOM 169 N GLY A 21 6.594 -13.398 -6.188 1.00 0.00 N ATOM 170 CA GLY A 21 7.153 -12.025 -6.266 1.00 0.00 C ATOM 171 C GLY A 21 6.234 -10.985 -5.602 1.00 0.00 C ATOM 172 O GLY A 21 6.019 -11.038 -4.387 1.00 0.00 O ATOM 0 H GLY A 21 6.815 -13.892 -5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.130 -12.004 -5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.308 -11.756 -7.311 1.00 0.00 H new ATOM 173 N GLU A 22 5.722 -10.026 -6.411 1.00 0.00 N ATOM 174 CA GLU A 22 4.830 -8.916 -5.920 1.00 0.00 C ATOM 175 C GLU A 22 5.575 -7.938 -4.947 1.00 0.00 C ATOM 176 O GLU A 22 5.914 -8.314 -3.823 1.00 0.00 O ATOM 177 CB GLU A 22 3.519 -9.447 -5.276 1.00 0.00 C ATOM 178 CG GLU A 22 2.554 -10.191 -6.235 1.00 0.00 C ATOM 179 CD GLU A 22 1.611 -11.139 -5.495 1.00 0.00 C ATOM 180 OE1 GLU A 22 1.037 -10.565 -4.393 1.00 0.00 O ATOM 181 OE2 GLU A 22 1.430 -12.300 -5.840 1.00 0.00 O ATOM 0 H GLU A 22 5.905 -9.988 -7.414 1.00 0.00 H new ATOM 0 HA GLU A 22 4.550 -8.347 -6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.783 -10.121 -4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.986 -8.605 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.967 -9.461 -6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.135 -10.757 -6.963 1.00 0.00 H new ATOM 182 N ARG A 23 5.849 -6.691 -5.382 1.00 0.00 N ATOM 183 CA ARG A 23 6.758 -5.788 -4.615 1.00 0.00 C ATOM 184 C ARG A 23 5.976 -4.616 -3.922 1.00 0.00 C ATOM 185 O ARG A 23 5.352 -3.783 -4.584 1.00 0.00 O ATOM 186 CB ARG A 23 7.875 -5.313 -5.588 1.00 0.00 C ATOM 187 CG ARG A 23 9.186 -4.934 -4.859 1.00 0.00 C ATOM 188 CD ARG A 23 10.346 -4.715 -5.848 1.00 0.00 C ATOM 189 NE ARG A 23 11.601 -4.460 -5.086 1.00 0.00 N ATOM 190 CZ ARG A 23 12.782 -4.194 -5.646 1.00 0.00 C ATOM 191 NH1 ARG A 23 12.985 -4.227 -6.941 1.00 0.00 N ATOM 192 NH2 ARG A 23 13.775 -3.888 -4.864 1.00 0.00 N ATOM 0 H ARG A 23 5.469 -6.286 -6.237 1.00 0.00 H new ATOM 0 HA ARG A 23 7.221 -6.320 -3.784 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.082 -6.103 -6.310 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.517 -4.452 -6.152 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.029 -4.026 -4.276 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.452 -5.723 -4.155 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.466 -5.591 -6.486 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.127 -3.872 -6.503 1.00 0.00 H new ATOM 0 HE ARG A 23 11.554 -4.491 -4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.219 -4.465 -7.571 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.909 -4.015 -7.318 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.638 -3.857 -3.854 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.691 -3.679 -5.261 1.00 0.00 H new ATOM 193 N ALA A 24 6.032 -4.577 -2.577 1.00 0.00 N ATOM 194 CA ALA A 24 5.356 -3.532 -1.763 1.00 0.00 C ATOM 195 C ALA A 24 6.348 -2.420 -1.312 1.00 0.00 C ATOM 196 O ALA A 24 7.338 -2.694 -0.628 1.00 0.00 O ATOM 197 CB ALA A 24 4.789 -4.235 -0.515 1.00 0.00 C ATOM 0 H ALA A 24 6.543 -5.262 -2.020 1.00 0.00 H new ATOM 0 HA ALA A 24 4.578 -3.054 -2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.282 -3.504 0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.080 -5.004 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.603 -4.694 0.045 1.00 0.00 H new ATOM 198 N TYR A 25 6.061 -1.163 -1.671 1.00 0.00 N ATOM 199 CA TYR A 25 6.951 -0.018 -1.324 1.00 0.00 C ATOM 200 C TYR A 25 6.330 0.820 -0.158 1.00 0.00 C ATOM 201 O TYR A 25 5.528 1.733 -0.377 1.00 0.00 O ATOM 202 CB TYR A 25 7.184 0.812 -2.619 1.00 0.00 C ATOM 203 CG TYR A 25 8.188 0.171 -3.592 1.00 0.00 C ATOM 204 CD1 TYR A 25 7.753 -0.721 -4.577 1.00 0.00 C ATOM 205 CD2 TYR A 25 9.544 0.498 -3.508 1.00 0.00 C ATOM 206 CE1 TYR A 25 8.662 -1.253 -5.489 1.00 0.00 C ATOM 207 CE2 TYR A 25 10.449 -0.035 -4.424 1.00 0.00 C ATOM 208 CZ TYR A 25 10.005 -0.896 -5.421 1.00 0.00 C ATOM 209 OH TYR A 25 10.887 -1.364 -6.356 1.00 0.00 O ATOM 0 H TYR A 25 5.228 -0.901 -2.198 1.00 0.00 H new ATOM 0 HA TYR A 25 7.918 -0.363 -0.958 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.231 0.946 -3.130 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.541 1.805 -2.344 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.711 -0.998 -4.631 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.891 1.165 -2.732 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.324 -1.942 -6.249 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.496 0.221 -4.359 1.00 0.00 H new ATOM 0 HH TYR A 25 11.783 -1.018 -6.162 1.00 0.00 H new ATOM 210 N PHE A 26 6.723 0.500 1.090 1.00 0.00 N ATOM 211 CA PHE A 26 6.171 1.187 2.301 1.00 0.00 C ATOM 212 C PHE A 26 7.128 2.318 2.807 1.00 0.00 C ATOM 213 O PHE A 26 8.354 2.187 2.748 1.00 0.00 O ATOM 214 CB PHE A 26 5.954 0.137 3.432 1.00 0.00 C ATOM 215 CG PHE A 26 4.829 -0.889 3.180 1.00 0.00 C ATOM 216 CD1 PHE A 26 3.498 -0.469 3.101 1.00 0.00 C ATOM 217 CD2 PHE A 26 5.120 -2.255 3.110 1.00 0.00 C ATOM 218 CE1 PHE A 26 2.474 -1.398 2.963 1.00 0.00 C ATOM 219 CE2 PHE A 26 4.093 -3.184 2.964 1.00 0.00 C ATOM 220 CZ PHE A 26 2.770 -2.755 2.892 1.00 0.00 C ATOM 0 H PHE A 26 7.414 -0.221 1.298 1.00 0.00 H new ATOM 0 HA PHE A 26 5.222 1.650 2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 26 6.888 -0.404 3.585 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.737 0.667 4.359 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.264 0.584 3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.145 -2.591 3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.448 -1.066 2.911 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.323 -4.238 2.907 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.974 -3.476 2.781 1.00 0.00 H new ATOM 221 N ARG A 27 6.568 3.420 3.355 1.00 0.00 N ATOM 222 CA ARG A 27 7.407 4.533 3.908 1.00 0.00 C ATOM 223 C ARG A 27 8.234 4.097 5.170 1.00 0.00 C ATOM 224 O ARG A 27 7.690 3.564 6.141 1.00 0.00 O ATOM 225 CB ARG A 27 6.479 5.759 4.189 1.00 0.00 C ATOM 226 CG ARG A 27 7.163 6.956 4.910 1.00 0.00 C ATOM 227 CD ARG A 27 6.321 8.249 4.907 1.00 0.00 C ATOM 228 NE ARG A 27 7.111 9.310 5.601 1.00 0.00 N ATOM 229 CZ ARG A 27 7.061 10.616 5.320 1.00 0.00 C ATOM 230 NH1 ARG A 27 6.273 11.142 4.414 1.00 0.00 N ATOM 231 NH2 ARG A 27 7.848 11.406 5.986 1.00 0.00 N ATOM 0 H ARG A 27 5.562 3.571 3.431 1.00 0.00 H new ATOM 0 HA ARG A 27 8.159 4.815 3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.072 6.111 3.241 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.636 5.425 4.794 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.375 6.674 5.941 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.121 7.157 4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.089 8.552 3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.370 8.087 5.415 1.00 0.00 H new ATOM 0 HE ARG A 27 7.739 9.014 6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.648 10.545 3.873 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.285 12.149 4.250 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.474 11.023 6.694 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.840 12.409 5.801 1.00 0.00 H new ATOM 232 N ASN A 28 9.552 4.386 5.149 1.00 0.00 N ATOM 233 CA ASN A 28 10.435 4.141 6.332 1.00 0.00 C ATOM 234 C ASN A 28 10.151 5.073 7.572 1.00 0.00 C ATOM 235 O ASN A 28 9.987 4.582 8.691 1.00 0.00 O ATOM 236 CB ASN A 28 11.928 4.129 5.865 1.00 0.00 C ATOM 237 CG ASN A 28 12.531 5.419 5.257 1.00 0.00 C ATOM 238 OD1 ASN A 28 11.972 6.511 5.293 1.00 0.00 O ATOM 239 ND2 ASN A 28 13.704 5.317 4.680 1.00 0.00 N ATOM 0 H ASN A 28 10.033 4.784 4.342 1.00 0.00 H new ATOM 0 HA ASN A 28 10.192 3.156 6.731 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.540 3.852 6.723 1.00 0.00 H new ATOM 0 HB3 ASN A 28 12.036 3.335 5.127 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.143 6.140 4.267 1.00 0.00 H new ATOM 0 HD22 ASN A 28 14.178 4.415 4.644 1.00 0.00 H new ATOM 240 N GLY A 29 10.094 6.399 7.362 1.00 0.00 N ATOM 241 CA GLY A 29 9.880 7.365 8.467 1.00 0.00 C ATOM 242 C GLY A 29 10.133 8.805 7.985 1.00 0.00 C ATOM 243 O GLY A 29 9.193 9.529 7.644 1.00 0.00 O ATOM 0 H GLY A 29 10.192 6.831 6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.861 7.276 8.843 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.548 7.131 9.296 1.00 0.00 H new ATOM 244 N LYS A 30 11.415 9.206 7.931 1.00 0.00 N ATOM 245 CA LYS A 30 11.804 10.558 7.420 1.00 0.00 C ATOM 246 C LYS A 30 11.725 10.668 5.855 1.00 0.00 C ATOM 247 O LYS A 30 11.065 11.579 5.343 1.00 0.00 O ATOM 248 CB LYS A 30 13.210 10.902 8.011 1.00 0.00 C ATOM 249 CG LYS A 30 13.629 12.399 7.967 1.00 0.00 C ATOM 250 CD LYS A 30 14.147 12.887 6.593 1.00 0.00 C ATOM 251 CE LYS A 30 14.646 14.343 6.649 1.00 0.00 C ATOM 252 NZ LYS A 30 15.123 14.765 5.303 1.00 0.00 N ATOM 0 H LYS A 30 12.202 8.629 8.229 1.00 0.00 H new ATOM 0 HA LYS A 30 11.086 11.305 7.757 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.235 10.570 9.049 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.959 10.321 7.472 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.773 13.010 8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.406 12.567 8.713 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.957 12.239 6.260 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.349 12.805 5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.843 15.000 6.983 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.453 14.433 7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.459 15.748 5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.902 14.146 5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.342 14.696 4.620 1.00 0.00 H new ATOM 253 N GLY A 31 12.403 9.775 5.105 1.00 0.00 N ATOM 254 CA GLY A 31 12.422 9.860 3.622 1.00 0.00 C ATOM 255 C GLY A 31 12.952 8.568 2.966 1.00 0.00 C ATOM 256 O GLY A 31 14.079 8.142 3.234 1.00 0.00 O ATOM 0 H GLY A 31 12.938 8.997 5.490 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.414 10.061 3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.045 10.701 3.317 1.00 0.00 H new ATOM 257 N GLY A 32 12.132 7.953 2.098 1.00 0.00 N ATOM 258 CA GLY A 32 12.508 6.674 1.431 1.00 0.00 C ATOM 259 C GLY A 32 11.408 5.594 1.540 1.00 0.00 C ATOM 260 O GLY A 32 10.756 5.435 2.579 1.00 0.00 O ATOM 0 H GLY A 32 11.212 8.308 1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.718 6.867 0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.428 6.295 1.876 1.00 0.00 H new ATOM 261 N CYS A 33 11.230 4.824 0.455 1.00 0.00 N ATOM 262 CA CYS A 33 10.298 3.666 0.464 1.00 0.00 C ATOM 263 C CYS A 33 11.084 2.316 0.527 1.00 0.00 C ATOM 264 O CYS A 33 11.923 2.016 -0.331 1.00 0.00 O ATOM 265 CB CYS A 33 9.405 3.726 -0.783 1.00 0.00 C ATOM 266 SG CYS A 33 8.361 5.191 -0.759 1.00 0.00 S ATOM 0 H CYS A 33 11.709 4.973 -0.433 1.00 0.00 H new ATOM 0 HA CYS A 33 9.671 3.718 1.354 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.026 3.732 -1.679 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.783 2.832 -0.832 1.00 0.00 H new ATOM 267 N ASP A 34 10.779 1.497 1.546 1.00 0.00 N ATOM 268 CA ASP A 34 11.412 0.158 1.709 1.00 0.00 C ATOM 269 C ASP A 34 10.626 -0.921 0.892 1.00 0.00 C ATOM 270 O ASP A 34 9.405 -1.063 1.033 1.00 0.00 O ATOM 271 CB ASP A 34 11.426 -0.217 3.216 1.00 0.00 C ATOM 272 CG ASP A 34 12.398 0.565 4.104 1.00 0.00 C ATOM 273 OD1 ASP A 34 13.129 1.473 3.716 1.00 0.00 O ATOM 274 OD2 ASP A 34 12.360 0.124 5.392 1.00 0.00 O ATOM 0 H ASP A 34 10.101 1.728 2.273 1.00 0.00 H new ATOM 0 HA ASP A 34 12.434 0.194 1.332 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.419 -0.082 3.611 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.663 -1.278 3.302 1.00 0.00 H new ATOM 275 N SER A 35 11.344 -1.678 0.038 1.00 0.00 N ATOM 276 CA SER A 35 10.688 -2.639 -0.891 1.00 0.00 C ATOM 277 C SER A 35 10.571 -4.076 -0.284 1.00 0.00 C ATOM 278 O SER A 35 11.583 -4.770 -0.126 1.00 0.00 O ATOM 279 CB SER A 35 11.469 -2.649 -2.227 1.00 0.00 C ATOM 280 OG SER A 35 12.632 -3.486 -2.171 1.00 0.00 O ATOM 0 H SER A 35 12.361 -1.649 -0.033 1.00 0.00 H new ATOM 0 HA SER A 35 9.664 -2.310 -1.066 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.813 -2.995 -3.026 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.768 -1.631 -2.478 1.00 0.00 H new ATOM 0 HG SER A 35 12.678 -3.924 -1.296 1.00 0.00 H new ATOM 281 N PHE A 36 9.340 -4.516 0.009 1.00 0.00 N ATOM 282 CA PHE A 36 9.085 -5.869 0.596 1.00 0.00 C ATOM 283 C PHE A 36 8.396 -6.812 -0.447 1.00 0.00 C ATOM 284 O PHE A 36 7.739 -6.362 -1.388 1.00 0.00 O ATOM 285 CB PHE A 36 8.216 -5.694 1.877 1.00 0.00 C ATOM 286 CG PHE A 36 8.966 -5.026 3.048 1.00 0.00 C ATOM 287 CD1 PHE A 36 9.839 -5.774 3.846 1.00 0.00 C ATOM 288 CD2 PHE A 36 8.820 -3.656 3.287 1.00 0.00 C ATOM 289 CE1 PHE A 36 10.563 -5.154 4.863 1.00 0.00 C ATOM 290 CE2 PHE A 36 9.526 -3.044 4.318 1.00 0.00 C ATOM 291 CZ PHE A 36 10.406 -3.790 5.099 1.00 0.00 C ATOM 0 H PHE A 36 8.495 -3.966 -0.145 1.00 0.00 H new ATOM 0 HA PHE A 36 10.030 -6.342 0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.338 -5.096 1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.856 -6.672 2.198 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.952 -6.834 3.673 1.00 0.00 H new ATOM 0 HD2 PHE A 36 8.156 -3.070 2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 36 11.246 -5.731 5.468 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.392 -1.990 4.513 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.967 -3.311 5.888 1.00 0.00 H new ATOM 292 N TRP A 37 8.553 -8.137 -0.279 1.00 0.00 N ATOM 293 CA TRP A 37 8.006 -9.126 -1.262 1.00 0.00 C ATOM 294 C TRP A 37 6.753 -9.854 -0.660 1.00 0.00 C ATOM 295 O TRP A 37 6.807 -10.405 0.443 1.00 0.00 O ATOM 296 CB TRP A 37 9.137 -10.111 -1.669 1.00 0.00 C ATOM 297 CG TRP A 37 10.275 -9.488 -2.502 1.00 0.00 C ATOM 298 CD1 TRP A 37 11.609 -9.298 -2.075 1.00 0.00 C ATOM 299 CD2 TRP A 37 10.250 -9.106 -3.825 1.00 0.00 C ATOM 300 NE1 TRP A 37 12.418 -8.798 -3.127 1.00 0.00 N ATOM 301 CE2 TRP A 37 11.540 -8.701 -4.198 1.00 0.00 C ATOM 302 CE3 TRP A 37 9.197 -9.129 -4.767 1.00 0.00 C ATOM 303 CZ2 TRP A 37 11.815 -8.327 -5.533 1.00 0.00 C ATOM 304 CZ3 TRP A 37 9.475 -8.753 -6.084 1.00 0.00 C ATOM 305 CH2 TRP A 37 10.770 -8.362 -6.466 1.00 0.00 C ATOM 0 H TRP A 37 9.044 -8.556 0.511 1.00 0.00 H new ATOM 0 HA TRP A 37 7.664 -8.619 -2.164 1.00 0.00 H new ATOM 0 HB2 TRP A 37 9.564 -10.544 -0.764 1.00 0.00 H new ATOM 0 HB3 TRP A 37 8.697 -10.930 -2.238 1.00 0.00 H new ATOM 0 HD1 TRP A 37 11.966 -9.507 -1.077 1.00 0.00 H new ATOM 0 HE1 TRP A 37 13.411 -8.565 -3.103 1.00 0.00 H new ATOM 0 HE3 TRP A 37 8.201 -9.430 -4.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 12.808 -8.021 -5.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 8.684 -8.763 -6.819 1.00 0.00 H new ATOM 0 HH2 TRP A 37 10.962 -8.085 -7.492 1.00 0.00 H new ATOM 306 N ILE A 38 5.617 -9.844 -1.385 1.00 0.00 N ATOM 307 CA ILE A 38 4.276 -10.168 -0.773 1.00 0.00 C ATOM 308 C ILE A 38 3.872 -11.694 -0.849 1.00 0.00 C ATOM 309 O ILE A 38 3.271 -12.199 0.104 1.00 0.00 O ATOM 310 CB ILE A 38 3.131 -9.253 -1.386 1.00 0.00 C ATOM 311 CG1 ILE A 38 3.492 -7.734 -1.481 1.00 0.00 C ATOM 312 CG2 ILE A 38 1.804 -9.402 -0.586 1.00 0.00 C ATOM 313 CD1 ILE A 38 2.479 -6.876 -2.271 1.00 0.00 C ATOM 0 H ILE A 38 5.581 -9.621 -2.380 1.00 0.00 H new ATOM 0 HA ILE A 38 4.387 -9.947 0.289 1.00 0.00 H new ATOM 0 HB ILE A 38 3.011 -9.617 -2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.578 -7.332 -0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.472 -7.636 -1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.039 -8.764 -1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.474 -10.440 -0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.969 -9.106 0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.813 -5.838 -2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.408 -7.246 -3.294 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.501 -6.937 -1.794 1.00 0.00 H new ATOM 314 N CYS A 39 4.099 -12.390 -1.996 1.00 0.00 N ATOM 315 CA CYS A 39 3.385 -13.675 -2.338 1.00 0.00 C ATOM 316 C CYS A 39 1.848 -13.441 -2.704 1.00 0.00 C ATOM 317 O CYS A 39 1.292 -12.376 -2.397 1.00 0.00 O ATOM 318 CB CYS A 39 3.598 -14.828 -1.297 1.00 0.00 C ATOM 319 SG CYS A 39 5.186 -15.675 -1.480 1.00 0.00 S ATOM 0 H CYS A 39 4.768 -12.092 -2.706 1.00 0.00 H new ATOM 0 HA CYS A 39 3.870 -14.035 -3.245 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.528 -14.416 -0.290 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.793 -15.555 -1.401 1.00 0.00 H new ATOM 320 N PRO A 40 1.108 -14.396 -3.362 1.00 0.00 N ATOM 321 CA PRO A 40 -0.315 -14.161 -3.789 1.00 0.00 C ATOM 322 C PRO A 40 -1.443 -13.908 -2.724 1.00 0.00 C ATOM 323 O PRO A 40 -2.589 -13.672 -3.117 1.00 0.00 O ATOM 324 CB PRO A 40 -0.607 -15.434 -4.614 1.00 0.00 C ATOM 325 CG PRO A 40 0.753 -15.886 -5.143 1.00 0.00 C ATOM 326 CD PRO A 40 1.705 -15.601 -3.985 1.00 0.00 C ATOM 0 HA PRO A 40 -0.361 -13.195 -4.293 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.067 -16.206 -3.998 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.298 -15.225 -5.431 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.749 -16.944 -5.407 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.037 -15.335 -6.040 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.754 -16.436 -3.286 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.721 -15.416 -4.332 1.00 0.00 H new ATOM 327 N GLU A 41 -1.150 -13.961 -1.408 1.00 0.00 N ATOM 328 CA GLU A 41 -2.214 -13.939 -0.356 1.00 0.00 C ATOM 329 C GLU A 41 -2.967 -12.566 -0.196 1.00 0.00 C ATOM 330 O GLU A 41 -4.184 -12.511 -0.397 1.00 0.00 O ATOM 331 CB GLU A 41 -1.642 -14.582 0.952 1.00 0.00 C ATOM 332 CG GLU A 41 -0.810 -13.712 1.940 1.00 0.00 C ATOM 333 CD GLU A 41 0.387 -12.944 1.372 1.00 0.00 C ATOM 334 OE1 GLU A 41 1.406 -13.754 0.981 1.00 0.00 O ATOM 335 OE2 GLU A 41 0.411 -11.723 1.283 1.00 0.00 O ATOM 0 H GLU A 41 -0.200 -14.019 -1.041 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.047 -14.562 -0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.485 -14.991 1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.017 -15.424 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.484 -12.990 2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.446 -14.362 2.735 1.00 0.00 H new ATOM 336 N ASP A 42 -2.258 -11.459 0.116 1.00 0.00 N ATOM 337 CA ASP A 42 -2.880 -10.108 0.149 1.00 0.00 C ATOM 338 C ASP A 42 -2.778 -9.469 -1.274 1.00 0.00 C ATOM 339 O ASP A 42 -1.835 -8.737 -1.594 1.00 0.00 O ATOM 340 CB ASP A 42 -2.185 -9.266 1.254 1.00 0.00 C ATOM 341 CG ASP A 42 -2.871 -7.925 1.540 1.00 0.00 C ATOM 342 OD1 ASP A 42 -2.491 -6.947 0.669 1.00 0.00 O ATOM 343 OD2 ASP A 42 -3.645 -7.745 2.473 1.00 0.00 O ATOM 0 H ASP A 42 -1.265 -11.468 0.347 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.939 -10.157 0.401 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.152 -9.849 2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.153 -9.079 0.958 1.00 0.00 H new ATOM 344 N HIS A 43 -3.772 -9.762 -2.130 1.00 0.00 N ATOM 345 CA HIS A 43 -3.834 -9.137 -3.484 1.00 0.00 C ATOM 346 C HIS A 43 -5.307 -8.746 -3.874 1.00 0.00 C ATOM 347 O HIS A 43 -5.800 -9.084 -4.953 1.00 0.00 O ATOM 348 CB HIS A 43 -3.110 -10.104 -4.472 1.00 0.00 C ATOM 349 CG HIS A 43 -2.616 -9.410 -5.737 1.00 0.00 C ATOM 350 ND1 HIS A 43 -1.358 -8.836 -5.856 1.00 0.00 N ATOM 351 CD2 HIS A 43 -3.345 -9.232 -6.931 1.00 0.00 C ATOM 352 CE1 HIS A 43 -1.425 -8.353 -7.134 1.00 0.00 C ATOM 353 NE2 HIS A 43 -2.575 -8.535 -7.858 1.00 0.00 N ATOM 0 H HIS A 43 -4.532 -10.411 -1.926 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.312 -8.181 -3.516 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -2.263 -10.565 -3.964 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -3.792 -10.908 -4.749 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.352 -9.584 -7.101 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.582 -7.835 -7.567 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -2.802 -8.242 -8.808 1.00 0.00 H new ATOM 354 N THR A 44 -5.979 -7.986 -2.985 1.00 0.00 N ATOM 355 CA THR A 44 -7.340 -7.417 -3.252 1.00 0.00 C ATOM 356 C THR A 44 -7.405 -6.016 -2.556 1.00 0.00 C ATOM 357 O THR A 44 -6.914 -5.843 -1.432 1.00 0.00 O ATOM 358 CB THR A 44 -8.512 -8.324 -2.743 1.00 0.00 C ATOM 359 OG1 THR A 44 -8.440 -8.511 -1.334 1.00 0.00 O ATOM 360 CG2 THR A 44 -8.581 -9.717 -3.389 1.00 0.00 C ATOM 0 H THR A 44 -5.608 -7.744 -2.066 1.00 0.00 H new ATOM 0 HA THR A 44 -7.475 -7.345 -4.331 1.00 0.00 H new ATOM 0 HB THR A 44 -9.409 -7.778 -3.035 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.183 -9.079 -1.041 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.423 -10.270 -2.973 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.712 -9.613 -4.466 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.657 -10.258 -3.187 1.00 0.00 H new ATOM 361 N GLY A 45 -7.975 -4.992 -3.227 1.00 0.00 N ATOM 362 CA GLY A 45 -8.013 -3.611 -2.640 1.00 0.00 C ATOM 363 C GLY A 45 -6.728 -2.756 -2.826 1.00 0.00 C ATOM 364 O GLY A 45 -6.816 -1.593 -3.220 1.00 0.00 O ATOM 0 H GLY A 45 -8.406 -5.077 -4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.851 -3.073 -3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.217 -3.697 -1.573 1.00 0.00 H new ATOM 365 N ALA A 46 -5.555 -3.348 -2.517 1.00 0.00 N ATOM 366 CA ALA A 46 -4.215 -2.710 -2.686 1.00 0.00 C ATOM 367 C ALA A 46 -3.816 -1.800 -1.480 1.00 0.00 C ATOM 368 O ALA A 46 -4.092 -0.598 -1.454 1.00 0.00 O ATOM 369 CB ALA A 46 -3.997 -2.040 -4.066 1.00 0.00 C ATOM 0 H ALA A 46 -5.502 -4.294 -2.138 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.508 -3.539 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.000 -1.602 -4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.095 -2.788 -4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.743 -1.259 -4.213 1.00 0.00 H new ATOM 370 N ASP A 47 -3.114 -2.398 -0.499 1.00 0.00 N ATOM 371 CA ASP A 47 -2.504 -1.639 0.637 1.00 0.00 C ATOM 372 C ASP A 47 -0.928 -1.717 0.596 1.00 0.00 C ATOM 373 O ASP A 47 -0.299 -2.173 1.554 1.00 0.00 O ATOM 374 CB ASP A 47 -3.137 -2.173 1.965 1.00 0.00 C ATOM 375 CG ASP A 47 -2.764 -3.616 2.365 1.00 0.00 C ATOM 376 OD1 ASP A 47 -2.974 -4.601 1.656 1.00 0.00 O ATOM 377 OD2 ASP A 47 -2.143 -3.666 3.580 1.00 0.00 O ATOM 0 H ASP A 47 -2.949 -3.404 -0.460 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.725 -0.574 0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.845 -1.506 2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.222 -2.111 1.877 1.00 0.00 H new ATOM 378 N TYR A 48 -0.284 -1.322 -0.531 1.00 0.00 N ATOM 379 CA TYR A 48 1.166 -1.659 -0.741 1.00 0.00 C ATOM 380 C TYR A 48 2.027 -0.720 -1.655 1.00 0.00 C ATOM 381 O TYR A 48 3.216 -0.580 -1.371 1.00 0.00 O ATOM 382 CB TYR A 48 1.324 -3.163 -1.139 1.00 0.00 C ATOM 383 CG TYR A 48 0.670 -3.651 -2.450 1.00 0.00 C ATOM 384 CD1 TYR A 48 1.351 -3.548 -3.669 1.00 0.00 C ATOM 385 CD2 TYR A 48 -0.580 -4.278 -2.414 1.00 0.00 C ATOM 386 CE1 TYR A 48 0.774 -4.040 -4.839 1.00 0.00 C ATOM 387 CE2 TYR A 48 -1.150 -4.774 -3.584 1.00 0.00 C ATOM 388 CZ TYR A 48 -0.476 -4.651 -4.795 1.00 0.00 C ATOM 389 OH TYR A 48 -1.045 -5.136 -5.943 1.00 0.00 O ATOM 0 H TYR A 48 -0.716 -0.790 -1.287 1.00 0.00 H new ATOM 0 HA TYR A 48 1.607 -1.465 0.237 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.391 -3.379 -1.200 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.923 -3.765 -0.324 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.327 -3.086 -3.703 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.105 -4.378 -1.475 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.297 -3.947 -5.779 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.117 -5.255 -3.551 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.917 -5.532 -5.734 1.00 0.00 H new ATOM 390 N TYR A 49 1.488 -0.150 -2.760 1.00 0.00 N ATOM 391 CA TYR A 49 2.313 0.545 -3.815 1.00 0.00 C ATOM 392 C TYR A 49 3.188 -0.453 -4.653 1.00 0.00 C ATOM 393 O TYR A 49 4.111 -1.085 -4.130 1.00 0.00 O ATOM 394 CB TYR A 49 3.219 1.720 -3.320 1.00 0.00 C ATOM 395 CG TYR A 49 2.506 2.975 -2.799 1.00 0.00 C ATOM 396 CD1 TYR A 49 1.740 3.760 -3.667 1.00 0.00 C ATOM 397 CD2 TYR A 49 2.741 3.422 -1.497 1.00 0.00 C ATOM 398 CE1 TYR A 49 1.230 4.984 -3.240 1.00 0.00 C ATOM 399 CE2 TYR A 49 2.232 4.647 -1.074 1.00 0.00 C ATOM 400 CZ TYR A 49 1.475 5.427 -1.945 1.00 0.00 C ATOM 401 OH TYR A 49 0.990 6.641 -1.542 1.00 0.00 O ATOM 0 H TYR A 49 0.487 -0.150 -2.957 1.00 0.00 H new ATOM 0 HA TYR A 49 1.544 0.995 -4.443 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.862 1.341 -2.526 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.870 2.016 -4.143 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.543 3.416 -4.672 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.319 2.815 -0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.644 5.589 -3.915 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.424 4.993 -0.069 1.00 0.00 H new ATOM 0 HH TYR A 49 0.161 6.839 -2.026 1.00 0.00 H new ATOM 402 N SER A 50 2.918 -0.548 -5.969 1.00 0.00 N ATOM 403 CA SER A 50 3.697 -1.447 -6.878 1.00 0.00 C ATOM 404 C SER A 50 5.138 -0.966 -7.284 1.00 0.00 C ATOM 405 O SER A 50 6.019 -1.810 -7.475 1.00 0.00 O ATOM 406 CB SER A 50 2.831 -1.718 -8.134 1.00 0.00 C ATOM 407 OG SER A 50 2.529 -0.513 -8.847 1.00 0.00 O ATOM 0 H SER A 50 2.177 -0.024 -6.434 1.00 0.00 H new ATOM 0 HA SER A 50 3.899 -2.353 -6.306 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.356 -2.408 -8.794 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.903 -2.206 -7.836 1.00 0.00 H new ATOM 0 HG SER A 50 1.983 -0.726 -9.633 1.00 0.00 H new ATOM 408 N SER A 51 5.375 0.356 -7.450 1.00 0.00 N ATOM 409 CA SER A 51 6.728 0.883 -7.817 1.00 0.00 C ATOM 410 C SER A 51 7.234 1.983 -6.822 1.00 0.00 C ATOM 411 O SER A 51 6.456 2.624 -6.102 1.00 0.00 O ATOM 412 CB SER A 51 6.697 1.405 -9.281 1.00 0.00 C ATOM 413 OG SER A 51 5.996 2.647 -9.399 1.00 0.00 O ATOM 0 H SER A 51 4.662 1.077 -7.339 1.00 0.00 H new ATOM 0 HA SER A 51 7.444 0.065 -7.743 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.718 1.531 -9.641 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.223 0.660 -9.920 1.00 0.00 H new ATOM 0 HG SER A 51 5.066 2.475 -9.656 1.00 0.00 H new ATOM 414 N TYR A 52 8.561 2.246 -6.845 1.00 0.00 N ATOM 415 CA TYR A 52 9.150 3.409 -6.105 1.00 0.00 C ATOM 416 C TYR A 52 8.613 4.810 -6.593 1.00 0.00 C ATOM 417 O TYR A 52 8.338 5.681 -5.766 1.00 0.00 O ATOM 418 CB TYR A 52 10.704 3.308 -6.190 1.00 0.00 C ATOM 419 CG TYR A 52 11.447 4.145 -5.128 1.00 0.00 C ATOM 420 CD1 TYR A 52 11.730 5.497 -5.357 1.00 0.00 C ATOM 421 CD2 TYR A 52 11.856 3.555 -3.927 1.00 0.00 C ATOM 422 CE1 TYR A 52 12.394 6.249 -4.390 1.00 0.00 C ATOM 423 CE2 TYR A 52 12.520 4.309 -2.963 1.00 0.00 C ATOM 424 CZ TYR A 52 12.780 5.656 -3.189 1.00 0.00 C ATOM 425 OH TYR A 52 13.411 6.397 -2.227 1.00 0.00 O ATOM 0 H TYR A 52 9.242 1.685 -7.356 1.00 0.00 H new ATOM 0 HA TYR A 52 8.831 3.352 -5.064 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.996 2.263 -6.084 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.025 3.630 -7.181 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.432 5.959 -6.287 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.656 2.509 -3.747 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.610 7.292 -4.571 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.833 3.847 -2.039 1.00 0.00 H new ATOM 0 HH TYR A 52 12.956 7.259 -2.127 1.00 0.00 H new ATOM 426 N ARG A 53 8.422 5.003 -7.920 1.00 0.00 N ATOM 427 CA ARG A 53 7.691 6.192 -8.462 1.00 0.00 C ATOM 428 C ARG A 53 6.225 6.377 -7.914 1.00 0.00 C ATOM 429 O ARG A 53 5.845 7.501 -7.573 1.00 0.00 O ATOM 430 CB ARG A 53 7.771 6.098 -10.019 1.00 0.00 C ATOM 431 CG ARG A 53 7.041 7.206 -10.836 1.00 0.00 C ATOM 432 CD ARG A 53 7.334 8.665 -10.424 1.00 0.00 C ATOM 433 NE ARG A 53 8.761 9.041 -10.638 1.00 0.00 N ATOM 434 CZ ARG A 53 9.338 10.115 -10.082 1.00 0.00 C ATOM 435 NH1 ARG A 53 8.704 10.936 -9.273 1.00 0.00 N ATOM 436 NH2 ARG A 53 10.586 10.360 -10.357 1.00 0.00 N ATOM 0 H ARG A 53 8.758 4.360 -8.637 1.00 0.00 H new ATOM 0 HA ARG A 53 8.174 7.103 -8.107 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.823 6.105 -10.305 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.365 5.132 -10.321 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.306 7.087 -11.887 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.967 7.037 -10.757 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.694 9.337 -10.997 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.079 8.801 -9.373 1.00 0.00 H new ATOM 0 HE ARG A 53 9.330 8.447 -11.242 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.725 10.769 -9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.192 11.740 -8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.101 9.741 -10.983 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.049 11.171 -9.947 1.00 0.00 H new ATOM 437 N ASP A 54 5.427 5.293 -7.788 1.00 0.00 N ATOM 438 CA ASP A 54 4.110 5.366 -7.072 1.00 0.00 C ATOM 439 C ASP A 54 4.242 5.803 -5.564 1.00 0.00 C ATOM 440 O ASP A 54 3.545 6.721 -5.127 1.00 0.00 O ATOM 441 CB ASP A 54 3.353 4.009 -7.172 1.00 0.00 C ATOM 442 CG ASP A 54 2.987 3.548 -8.580 1.00 0.00 C ATOM 443 OD1 ASP A 54 2.054 4.353 -9.161 1.00 0.00 O ATOM 444 OD2 ASP A 54 3.474 2.553 -9.115 1.00 0.00 O ATOM 0 H ASP A 54 5.655 4.371 -8.160 1.00 0.00 H new ATOM 0 HA ASP A 54 3.535 6.144 -7.575 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.968 3.238 -6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.437 4.083 -6.586 1.00 0.00 H new ATOM 445 N CYS A 55 5.138 5.161 -4.787 1.00 0.00 N ATOM 446 CA CYS A 55 5.350 5.514 -3.355 1.00 0.00 C ATOM 447 C CYS A 55 6.020 6.903 -3.065 1.00 0.00 C ATOM 448 O CYS A 55 5.629 7.578 -2.109 1.00 0.00 O ATOM 449 CB CYS A 55 6.166 4.354 -2.758 1.00 0.00 C ATOM 450 SG CYS A 55 6.466 4.609 -1.000 1.00 0.00 S ATOM 0 H CYS A 55 5.728 4.398 -5.119 1.00 0.00 H new ATOM 0 HA CYS A 55 4.373 5.641 -2.889 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.632 3.415 -2.906 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.117 4.266 -3.283 1.00 0.00 H new ATOM 451 N PHE A 56 7.037 7.330 -3.842 1.00 0.00 N ATOM 452 CA PHE A 56 7.836 8.539 -3.484 1.00 0.00 C ATOM 453 C PHE A 56 7.054 9.899 -3.582 1.00 0.00 C ATOM 454 O PHE A 56 7.038 10.659 -2.609 1.00 0.00 O ATOM 455 CB PHE A 56 9.164 8.515 -4.292 1.00 0.00 C ATOM 456 CG PHE A 56 10.263 9.394 -3.672 1.00 0.00 C ATOM 457 CD1 PHE A 56 11.007 8.917 -2.587 1.00 0.00 C ATOM 458 CD2 PHE A 56 10.522 10.671 -4.177 1.00 0.00 C ATOM 459 CE1 PHE A 56 12.002 9.707 -2.018 1.00 0.00 C ATOM 460 CE2 PHE A 56 11.517 11.461 -3.604 1.00 0.00 C ATOM 461 CZ PHE A 56 12.255 10.979 -2.525 1.00 0.00 C ATOM 0 H PHE A 56 7.327 6.872 -4.706 1.00 0.00 H new ATOM 0 HA PHE A 56 8.067 8.487 -2.420 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.523 7.488 -4.359 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.969 8.852 -5.310 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.809 7.933 -2.190 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.950 11.046 -5.013 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.577 9.334 -1.184 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.716 12.447 -3.997 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.025 11.593 -2.081 1.00 0.00 H new ATOM 462 N ASN A 57 6.395 10.202 -4.718 1.00 0.00 N ATOM 463 CA ASN A 57 5.542 11.433 -4.821 1.00 0.00 C ATOM 464 C ASN A 57 4.132 11.346 -4.125 1.00 0.00 C ATOM 465 O ASN A 57 3.661 12.366 -3.617 1.00 0.00 O ATOM 466 CB ASN A 57 5.486 11.970 -6.285 1.00 0.00 C ATOM 467 CG ASN A 57 5.155 10.985 -7.415 1.00 0.00 C ATOM 468 OD1 ASN A 57 6.015 10.637 -8.219 1.00 0.00 O ATOM 469 ND2 ASN A 57 3.927 10.538 -7.523 1.00 0.00 N ATOM 0 H ASN A 57 6.426 9.635 -5.566 1.00 0.00 H new ATOM 0 HA ASN A 57 6.054 12.182 -4.218 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.747 12.771 -6.316 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.453 12.420 -6.510 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.682 9.898 -8.278 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.217 10.831 -6.852 1.00 0.00 H new ATOM 470 N ALA A 58 3.468 10.169 -4.069 1.00 0.00 N ATOM 471 CA ALA A 58 2.176 10.035 -3.318 1.00 0.00 C ATOM 472 C ALA A 58 2.277 9.774 -1.762 1.00 0.00 C ATOM 473 O ALA A 58 1.248 9.810 -1.073 1.00 0.00 O ATOM 474 CB ALA A 58 1.368 8.923 -4.010 1.00 0.00 C ATOM 0 H ALA A 58 3.787 9.311 -4.520 1.00 0.00 H new ATOM 0 HA ALA A 58 1.688 11.009 -3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.416 8.790 -3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.183 9.200 -5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.931 7.990 -3.978 1.00 0.00 H new ATOM 475 N CYS A 59 3.481 9.509 -1.207 1.00 0.00 N ATOM 476 CA CYS A 59 3.666 9.312 0.264 1.00 0.00 C ATOM 477 C CYS A 59 4.920 10.021 0.873 1.00 0.00 C ATOM 478 O CYS A 59 4.830 10.514 2.002 1.00 0.00 O ATOM 479 CB CYS A 59 3.691 7.807 0.575 1.00 0.00 C ATOM 480 SG CYS A 59 3.746 7.555 2.355 1.00 0.00 S ATOM 0 H CYS A 59 4.342 9.425 -1.747 1.00 0.00 H new ATOM 0 HA CYS A 59 2.815 9.795 0.744 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.807 7.325 0.157 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.559 7.343 0.106 1.00 0.00 H new ATOM 481 N ILE A 60 6.083 10.053 0.179 1.00 0.00 N ATOM 482 CA ILE A 60 7.297 10.755 0.707 1.00 0.00 C ATOM 483 C ILE A 60 7.206 12.280 0.394 1.00 0.00 C ATOM 484 O ILE A 60 7.205 13.136 1.278 1.00 0.00 O ATOM 485 CB ILE A 60 8.644 10.104 0.208 1.00 0.00 C ATOM 486 CG1 ILE A 60 8.750 8.561 0.425 1.00 0.00 C ATOM 487 CG2 ILE A 60 9.876 10.804 0.837 1.00 0.00 C ATOM 488 CD1 ILE A 60 8.575 8.074 1.871 1.00 0.00 C ATOM 489 OXT ILE A 60 7.142 12.559 -0.952 1.00 0.00 O ATOM 0 H ILE A 60 6.214 9.612 -0.732 1.00 0.00 H new ATOM 0 HA ILE A 60 7.315 10.635 1.790 1.00 0.00 H new ATOM 0 HB ILE A 60 8.633 10.259 -0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.998 8.074 -0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.724 8.229 0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.788 10.332 0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.877 11.858 0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.830 10.715 1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.668 6.988 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.343 8.523 2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.590 8.365 2.236 1.00 0.00 H new TER 490 ILE A 60