USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 441 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 24 SER OG : rot 109:sc= 1.06 USER MOD Set 1.2: A 45 LYS NZ :NH3+ 180:sc= 2.15 (180deg=0.965) USER MOD Set 2.1: A 16 LYS NZ :NH3+ -126:sc= 1.88 (180deg=-0.187) USER MOD Set 2.2: A 18 TYR OH : rot -111:sc= 1.85 USER MOD Single : A 1 SER N :NH3+ -123:sc= 0.559 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.172 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 8 ASN : amide:sc= 0.371 K(o=0.37,f=-5!) USER MOD Single : A 9 THR OG1 : rot -77:sc= -0.994! USER MOD Single : A 11 SER OG : rot 180:sc= -0.0495 USER MOD Single : A 15 TYR OH : rot 90:sc= 0.696 USER MOD Single : A 21 GLN : amide:sc=-0.000319 K(o=-0.00032,f=-1.2) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 162:sc= -1.05! (180deg=-3.22!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.139 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 38 SER OG : rot -150:sc= -1.56! USER MOD Single : A 39 GLN : amide:sc= -0.0786 K(o=-0.079,f=-0.64) USER MOD Single : A 43 SER OG : rot 9:sc= 0.747 USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0.804 (180deg=0.303) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 53 ASN : amide:sc= 0.953 K(o=0.95,f=-6.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0088 USER MOD Single : A 56 ASN : amide:sc= 0.00447 K(o=0.0045,f=-3.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 62 ASN : amide:sc=-0.00586 K(o=-0.0059,f=-0.74) USER MOD Single : A 65 ASN : amide:sc= 0.49 K(o=0.49,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.202 6.861 3.444 1.00 0.00 N ATOM 2 CA SER A 1 16.685 5.521 3.099 1.00 0.00 C ATOM 3 C SER A 1 15.495 5.635 2.151 1.00 0.00 C ATOM 4 O SER A 1 14.340 5.463 2.551 1.00 0.00 O ATOM 5 CB SER A 1 16.273 4.797 4.378 1.00 0.00 C ATOM 6 OG SER A 1 16.263 5.695 5.477 1.00 0.00 O ATOM 0 H1 SER A 1 18.208 6.921 3.189 1.00 0.00 H new ATOM 0 H2 SER A 1 16.668 7.584 2.921 1.00 0.00 H new ATOM 0 H3 SER A 1 17.094 7.022 4.466 1.00 0.00 H new ATOM 0 HA SER A 1 17.468 4.953 2.596 1.00 0.00 H new ATOM 0 HB2 SER A 1 15.284 4.357 4.251 1.00 0.00 H new ATOM 0 HB3 SER A 1 16.963 3.977 4.577 1.00 0.00 H new ATOM 0 HG SER A 1 15.995 5.216 6.289 1.00 0.00 H new ATOM 14 N ALA A 2 15.778 5.935 0.892 1.00 0.00 N ATOM 15 CA ALA A 2 14.728 6.136 -0.089 1.00 0.00 C ATOM 16 C ALA A 2 14.408 4.845 -0.829 1.00 0.00 C ATOM 17 O ALA A 2 15.139 4.434 -1.732 1.00 0.00 O ATOM 18 CB ALA A 2 15.126 7.225 -1.071 1.00 0.00 C ATOM 0 H ALA A 2 16.725 6.044 0.529 1.00 0.00 H new ATOM 0 HA ALA A 2 13.828 6.449 0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 2 14.329 7.365 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 2 15.293 8.158 -0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 2 16.042 6.934 -1.585 1.00 0.00 H new ATOM 24 N THR A 3 13.330 4.193 -0.425 1.00 0.00 N ATOM 25 CA THR A 3 12.828 3.039 -1.145 1.00 0.00 C ATOM 26 C THR A 3 12.042 3.498 -2.364 1.00 0.00 C ATOM 27 O THR A 3 10.990 4.128 -2.234 1.00 0.00 O ATOM 28 CB THR A 3 11.926 2.171 -0.250 1.00 0.00 C ATOM 29 OG1 THR A 3 12.480 2.103 1.069 1.00 0.00 O ATOM 30 CG2 THR A 3 11.779 0.765 -0.818 1.00 0.00 C ATOM 0 H THR A 3 12.786 4.446 0.400 1.00 0.00 H new ATOM 0 HA THR A 3 13.681 2.437 -1.457 1.00 0.00 H new ATOM 0 HB THR A 3 10.938 2.629 -0.212 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.903 1.551 1.638 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.137 0.174 -0.165 1.00 0.00 H new ATOM 0 HG22 THR A 3 11.335 0.819 -1.812 1.00 0.00 H new ATOM 0 HG23 THR A 3 12.760 0.295 -0.884 1.00 0.00 H new ATOM 38 N THR A 4 12.558 3.201 -3.542 1.00 0.00 N ATOM 39 CA THR A 4 11.909 3.601 -4.772 1.00 0.00 C ATOM 40 C THR A 4 10.750 2.665 -5.078 1.00 0.00 C ATOM 41 O THR A 4 10.949 1.476 -5.338 1.00 0.00 O ATOM 42 CB THR A 4 12.907 3.592 -5.936 1.00 0.00 C ATOM 43 OG1 THR A 4 14.204 3.206 -5.456 1.00 0.00 O ATOM 44 CG2 THR A 4 12.989 4.960 -6.588 1.00 0.00 C ATOM 0 H THR A 4 13.427 2.683 -3.671 1.00 0.00 H new ATOM 0 HA THR A 4 11.528 4.615 -4.647 1.00 0.00 H new ATOM 0 HB THR A 4 12.563 2.875 -6.681 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.840 3.199 -6.202 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.703 4.929 -7.411 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.007 5.240 -6.970 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.315 5.695 -5.852 1.00 0.00 H new ATOM 52 N ILE A 5 9.542 3.205 -5.017 1.00 0.00 N ATOM 53 CA ILE A 5 8.337 2.408 -5.146 1.00 0.00 C ATOM 54 C ILE A 5 7.886 2.272 -6.601 1.00 0.00 C ATOM 55 O ILE A 5 7.823 3.253 -7.352 1.00 0.00 O ATOM 56 CB ILE A 5 7.190 3.011 -4.299 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.256 2.472 -2.861 1.00 0.00 C ATOM 58 CG2 ILE A 5 5.826 2.732 -4.926 1.00 0.00 C ATOM 59 CD1 ILE A 5 6.261 1.364 -2.566 1.00 0.00 C ATOM 0 H ILE A 5 9.373 4.201 -4.878 1.00 0.00 H new ATOM 0 HA ILE A 5 8.577 1.411 -4.776 1.00 0.00 H new ATOM 0 HB ILE A 5 7.318 4.093 -4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.263 2.101 -2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.082 3.295 -2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.044 3.169 -4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.787 3.172 -5.923 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.672 1.655 -4.998 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.373 1.040 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.248 1.734 -2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.447 0.521 -3.232 1.00 0.00 H new ATOM 71 N GLY A 6 7.613 1.034 -6.981 1.00 0.00 N ATOM 72 CA GLY A 6 6.918 0.749 -8.214 1.00 0.00 C ATOM 73 C GLY A 6 5.741 -0.161 -7.932 1.00 0.00 C ATOM 74 O GLY A 6 5.739 -0.843 -6.909 1.00 0.00 O ATOM 0 H GLY A 6 7.868 0.206 -6.442 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.573 1.676 -8.672 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.595 0.275 -8.925 1.00 0.00 H new ATOM 78 N PRO A 7 4.713 -0.176 -8.795 1.00 0.00 N ATOM 79 CA PRO A 7 3.535 -1.041 -8.619 1.00 0.00 C ATOM 80 C PRO A 7 3.894 -2.508 -8.379 1.00 0.00 C ATOM 81 O PRO A 7 3.142 -3.248 -7.745 1.00 0.00 O ATOM 82 CB PRO A 7 2.793 -0.897 -9.944 1.00 0.00 C ATOM 83 CG PRO A 7 3.188 0.439 -10.462 1.00 0.00 C ATOM 84 CD PRO A 7 4.595 0.680 -9.985 1.00 0.00 C ATOM 0 HA PRO A 7 2.957 -0.749 -7.743 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.071 -1.688 -10.640 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.714 -0.962 -9.802 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.137 0.464 -11.551 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.515 1.213 -10.093 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.327 0.410 -10.746 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.761 1.729 -9.741 1.00 0.00 H new ATOM 92 N ASN A 8 5.057 -2.910 -8.873 1.00 0.00 N ATOM 93 CA ASN A 8 5.502 -4.296 -8.795 1.00 0.00 C ATOM 94 C ASN A 8 6.290 -4.573 -7.512 1.00 0.00 C ATOM 95 O ASN A 8 7.220 -5.381 -7.507 1.00 0.00 O ATOM 96 CB ASN A 8 6.357 -4.647 -10.021 1.00 0.00 C ATOM 97 CG ASN A 8 7.606 -3.784 -10.153 1.00 0.00 C ATOM 98 OD1 ASN A 8 7.654 -2.648 -9.679 1.00 0.00 O ATOM 99 ND2 ASN A 8 8.625 -4.319 -10.804 1.00 0.00 N ATOM 0 H ASN A 8 5.717 -2.287 -9.338 1.00 0.00 H new ATOM 0 HA ASN A 8 4.612 -4.925 -8.779 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.652 -5.694 -9.961 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.752 -4.537 -10.921 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.487 -3.788 -10.927 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.549 -5.263 -11.183 1.00 0.00 H new ATOM 106 N THR A 9 5.920 -3.908 -6.428 1.00 0.00 N ATOM 107 CA THR A 9 6.543 -4.157 -5.136 1.00 0.00 C ATOM 108 C THR A 9 5.920 -5.385 -4.487 1.00 0.00 C ATOM 109 O THR A 9 6.555 -6.432 -4.355 1.00 0.00 O ATOM 110 CB THR A 9 6.375 -2.955 -4.194 1.00 0.00 C ATOM 111 OG1 THR A 9 5.321 -2.116 -4.676 1.00 0.00 O ATOM 112 CG2 THR A 9 7.668 -2.157 -4.086 1.00 0.00 C ATOM 0 H THR A 9 5.193 -3.193 -6.417 1.00 0.00 H new ATOM 0 HA THR A 9 7.607 -4.322 -5.307 1.00 0.00 H new ATOM 0 HB THR A 9 6.125 -3.326 -3.200 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.646 -1.585 -5.433 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.519 -1.313 -3.413 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.459 -2.797 -3.696 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.952 -1.789 -5.072 1.00 0.00 H new ATOM 120 N CYS A 10 4.668 -5.246 -4.087 1.00 0.00 N ATOM 121 CA CYS A 10 3.906 -6.358 -3.557 1.00 0.00 C ATOM 122 C CYS A 10 3.136 -7.012 -4.694 1.00 0.00 C ATOM 123 O CYS A 10 2.566 -6.321 -5.538 1.00 0.00 O ATOM 124 CB CYS A 10 2.964 -5.869 -2.460 1.00 0.00 C ATOM 125 SG CYS A 10 3.692 -4.596 -1.377 1.00 0.00 S ATOM 0 H CYS A 10 4.156 -4.365 -4.121 1.00 0.00 H new ATOM 0 HA CYS A 10 4.576 -7.096 -3.115 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.062 -5.467 -2.921 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.659 -6.720 -1.851 1.00 0.00 H new ATOM 130 N SER A 11 3.124 -8.339 -4.725 1.00 0.00 N ATOM 131 CA SER A 11 2.628 -9.063 -5.888 1.00 0.00 C ATOM 132 C SER A 11 2.477 -10.538 -5.554 1.00 0.00 C ATOM 133 O SER A 11 2.779 -11.414 -6.365 1.00 0.00 O ATOM 134 CB SER A 11 3.591 -8.889 -7.072 1.00 0.00 C ATOM 135 OG SER A 11 4.885 -8.488 -6.635 1.00 0.00 O ATOM 0 H SER A 11 3.450 -8.933 -3.962 1.00 0.00 H new ATOM 0 HA SER A 11 1.654 -8.659 -6.165 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.666 -9.827 -7.623 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.192 -8.145 -7.761 1.00 0.00 H new ATOM 0 HG SER A 11 5.475 -8.387 -7.411 1.00 0.00 H new ATOM 141 N ILE A 12 2.019 -10.801 -4.343 1.00 0.00 N ATOM 142 CA ILE A 12 1.878 -12.162 -3.858 1.00 0.00 C ATOM 143 C ILE A 12 0.414 -12.471 -3.587 1.00 0.00 C ATOM 144 O ILE A 12 -0.307 -12.957 -4.454 1.00 0.00 O ATOM 145 CB ILE A 12 2.685 -12.390 -2.556 1.00 0.00 C ATOM 146 CG1 ILE A 12 3.933 -11.502 -2.521 1.00 0.00 C ATOM 147 CG2 ILE A 12 3.069 -13.853 -2.415 1.00 0.00 C ATOM 148 CD1 ILE A 12 4.024 -10.632 -1.288 1.00 0.00 C ATOM 0 H ILE A 12 1.737 -10.085 -3.674 1.00 0.00 H new ATOM 0 HA ILE A 12 2.267 -12.825 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 12 2.050 -12.115 -1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.820 -12.134 -2.576 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.940 -10.865 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.635 -13.993 -1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.167 -14.464 -2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.680 -14.152 -3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.933 -10.031 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.156 -9.974 -1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.049 -11.262 -0.399 1.00 0.00 H new ATOM 160 N ASP A 13 -0.017 -12.144 -2.384 1.00 0.00 N ATOM 161 CA ASP A 13 -1.368 -12.435 -1.940 1.00 0.00 C ATOM 162 C ASP A 13 -2.251 -11.194 -2.044 1.00 0.00 C ATOM 163 O ASP A 13 -2.713 -10.660 -1.036 1.00 0.00 O ATOM 164 CB ASP A 13 -1.313 -12.938 -0.502 1.00 0.00 C ATOM 165 CG ASP A 13 -2.675 -13.304 0.064 1.00 0.00 C ATOM 166 OD1 ASP A 13 -3.508 -13.866 -0.675 1.00 0.00 O ATOM 167 OD2 ASP A 13 -2.923 -13.020 1.254 1.00 0.00 O ATOM 0 H ASP A 13 0.558 -11.670 -1.687 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.804 -13.203 -2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.662 -13.811 -0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.862 -12.170 0.126 1.00 0.00 H new ATOM 172 N ASP A 14 -2.443 -10.722 -3.275 1.00 0.00 N ATOM 173 CA ASP A 14 -3.293 -9.556 -3.551 1.00 0.00 C ATOM 174 C ASP A 14 -2.833 -8.335 -2.762 1.00 0.00 C ATOM 175 O ASP A 14 -3.630 -7.457 -2.429 1.00 0.00 O ATOM 176 CB ASP A 14 -4.759 -9.860 -3.220 1.00 0.00 C ATOM 177 CG ASP A 14 -5.411 -10.773 -4.233 1.00 0.00 C ATOM 178 OD1 ASP A 14 -5.525 -10.382 -5.413 1.00 0.00 O ATOM 179 OD2 ASP A 14 -5.821 -11.892 -3.856 1.00 0.00 O ATOM 0 H ASP A 14 -2.018 -11.131 -4.107 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.205 -9.335 -4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.816 -10.320 -2.233 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.317 -8.925 -3.169 1.00 0.00 H new ATOM 184 N TYR A 15 -1.548 -8.289 -2.461 1.00 0.00 N ATOM 185 CA TYR A 15 -0.990 -7.203 -1.676 1.00 0.00 C ATOM 186 C TYR A 15 -0.518 -6.087 -2.590 1.00 0.00 C ATOM 187 O TYR A 15 0.136 -6.337 -3.601 1.00 0.00 O ATOM 188 CB TYR A 15 0.165 -7.702 -0.808 1.00 0.00 C ATOM 189 CG TYR A 15 -0.269 -8.673 0.264 1.00 0.00 C ATOM 190 CD1 TYR A 15 -1.455 -8.480 0.961 1.00 0.00 C ATOM 191 CD2 TYR A 15 0.495 -9.791 0.565 1.00 0.00 C ATOM 192 CE1 TYR A 15 -1.868 -9.379 1.922 1.00 0.00 C ATOM 193 CE2 TYR A 15 0.091 -10.689 1.529 1.00 0.00 C ATOM 194 CZ TYR A 15 -1.092 -10.480 2.202 1.00 0.00 C ATOM 195 OH TYR A 15 -1.513 -11.386 3.141 1.00 0.00 O ATOM 0 H TYR A 15 -0.869 -8.994 -2.749 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.769 -6.816 -1.019 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.907 -8.183 -1.445 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.653 -6.848 -0.339 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.063 -7.613 0.747 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.421 -9.960 0.036 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.796 -9.220 2.452 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.699 -11.552 1.756 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.048 -12.083 2.707 1.00 0.00 H new ATOM 205 N LYS A 16 -0.857 -4.864 -2.230 1.00 0.00 N ATOM 206 CA LYS A 16 -0.500 -3.706 -3.033 1.00 0.00 C ATOM 207 C LYS A 16 0.465 -2.813 -2.267 1.00 0.00 C ATOM 208 O LYS A 16 0.481 -2.829 -1.034 1.00 0.00 O ATOM 209 CB LYS A 16 -1.761 -2.923 -3.418 1.00 0.00 C ATOM 210 CG LYS A 16 -2.964 -3.813 -3.687 1.00 0.00 C ATOM 211 CD LYS A 16 -4.257 -3.021 -3.727 1.00 0.00 C ATOM 212 CE LYS A 16 -5.359 -3.729 -2.959 1.00 0.00 C ATOM 213 NZ LYS A 16 -6.091 -2.802 -2.062 1.00 0.00 N ATOM 0 H LYS A 16 -1.381 -4.644 -1.383 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.009 -4.047 -3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.006 -2.226 -2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.553 -2.327 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.827 -4.332 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.030 -4.577 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.093 -2.031 -3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.566 -2.877 -4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.058 -4.182 -3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.929 -4.539 -2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.088 -3.181 -1.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.627 -1.871 -2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.072 -2.703 -2.391 1.00 0.00 H new ATOM 227 N PRO A 17 1.300 -2.047 -2.988 1.00 0.00 N ATOM 228 CA PRO A 17 2.239 -1.105 -2.372 1.00 0.00 C ATOM 229 C PRO A 17 1.528 -0.014 -1.578 1.00 0.00 C ATOM 230 O PRO A 17 0.716 0.740 -2.124 1.00 0.00 O ATOM 231 CB PRO A 17 2.982 -0.493 -3.565 1.00 0.00 C ATOM 232 CG PRO A 17 2.112 -0.756 -4.746 1.00 0.00 C ATOM 233 CD PRO A 17 1.402 -2.045 -4.457 1.00 0.00 C ATOM 0 HA PRO A 17 2.895 -1.602 -1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.141 0.576 -3.423 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.965 -0.947 -3.691 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.401 0.056 -4.895 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.704 -0.833 -5.658 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.420 -2.079 -4.929 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.962 -2.905 -4.824 1.00 0.00 H new ATOM 241 N TYR A 18 1.824 0.056 -0.292 1.00 0.00 N ATOM 242 CA TYR A 18 1.225 1.051 0.577 1.00 0.00 C ATOM 243 C TYR A 18 2.280 1.721 1.441 1.00 0.00 C ATOM 244 O TYR A 18 3.044 1.053 2.138 1.00 0.00 O ATOM 245 CB TYR A 18 0.169 0.404 1.467 1.00 0.00 C ATOM 246 CG TYR A 18 -1.145 0.150 0.768 1.00 0.00 C ATOM 247 CD1 TYR A 18 -1.930 1.203 0.319 1.00 0.00 C ATOM 248 CD2 TYR A 18 -1.601 -1.144 0.563 1.00 0.00 C ATOM 249 CE1 TYR A 18 -3.133 0.974 -0.316 1.00 0.00 C ATOM 250 CE2 TYR A 18 -2.803 -1.382 -0.069 1.00 0.00 C ATOM 251 CZ TYR A 18 -3.565 -0.321 -0.506 1.00 0.00 C ATOM 252 OH TYR A 18 -4.766 -0.561 -1.125 1.00 0.00 O ATOM 0 H TYR A 18 2.480 -0.570 0.175 1.00 0.00 H new ATOM 0 HA TYR A 18 0.755 1.809 -0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.557 -0.541 1.846 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.008 1.045 2.330 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.593 2.218 0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.005 -1.978 0.904 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.732 1.803 -0.662 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.145 -2.395 -0.221 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.402 -0.927 -0.475 1.00 0.00 H new ATOM 262 N CYS A 19 2.328 3.038 1.378 1.00 0.00 N ATOM 263 CA CYS A 19 3.197 3.805 2.250 1.00 0.00 C ATOM 264 C CYS A 19 2.375 4.385 3.391 1.00 0.00 C ATOM 265 O CYS A 19 1.738 5.431 3.249 1.00 0.00 O ATOM 266 CB CYS A 19 3.901 4.923 1.478 1.00 0.00 C ATOM 267 SG CYS A 19 5.697 5.021 1.787 1.00 0.00 S ATOM 0 H CYS A 19 1.775 3.600 0.731 1.00 0.00 H new ATOM 0 HA CYS A 19 3.966 3.145 2.652 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.734 4.775 0.411 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.445 5.877 1.743 1.00 0.00 H new ATOM 272 N CYS A 20 2.373 3.684 4.511 1.00 0.00 N ATOM 273 CA CYS A 20 1.554 4.068 5.652 1.00 0.00 C ATOM 274 C CYS A 20 2.236 5.146 6.482 1.00 0.00 C ATOM 275 O CYS A 20 3.354 4.960 6.972 1.00 0.00 O ATOM 276 CB CYS A 20 1.242 2.847 6.519 1.00 0.00 C ATOM 277 SG CYS A 20 0.548 1.443 5.589 1.00 0.00 S ATOM 0 H CYS A 20 2.931 2.843 4.657 1.00 0.00 H new ATOM 0 HA CYS A 20 0.619 4.478 5.271 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.156 2.524 7.018 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.538 3.137 7.299 1.00 0.00 H new ATOM 282 N GLN A 21 1.555 6.273 6.627 1.00 0.00 N ATOM 283 CA GLN A 21 2.066 7.390 7.408 1.00 0.00 C ATOM 284 C GLN A 21 1.918 7.108 8.900 1.00 0.00 C ATOM 285 O GLN A 21 1.326 6.097 9.285 1.00 0.00 O ATOM 286 CB GLN A 21 1.329 8.678 7.037 1.00 0.00 C ATOM 287 CG GLN A 21 1.394 9.013 5.555 1.00 0.00 C ATOM 288 CD GLN A 21 2.631 9.811 5.191 1.00 0.00 C ATOM 289 OE1 GLN A 21 3.568 9.925 5.979 1.00 0.00 O ATOM 290 NE2 GLN A 21 2.640 10.373 3.993 1.00 0.00 N ATOM 0 H GLN A 21 0.639 6.439 6.210 1.00 0.00 H new ATOM 0 HA GLN A 21 3.125 7.515 7.182 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.284 8.587 7.335 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.752 9.505 7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.379 8.089 4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.506 9.579 5.275 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.843 10.255 3.368 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.444 10.925 3.694 1.00 0.00 H new ATOM 299 N SER A 22 2.457 8.003 9.726 1.00 0.00 N ATOM 300 CA SER A 22 2.437 7.839 11.178 1.00 0.00 C ATOM 301 C SER A 22 3.184 6.565 11.587 1.00 0.00 C ATOM 302 O SER A 22 4.411 6.497 11.479 1.00 0.00 O ATOM 303 CB SER A 22 0.994 7.831 11.702 1.00 0.00 C ATOM 304 OG SER A 22 0.218 8.843 11.078 1.00 0.00 O ATOM 0 H SER A 22 2.917 8.857 9.410 1.00 0.00 H new ATOM 0 HA SER A 22 2.951 8.688 11.629 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.542 6.856 11.518 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.995 7.983 12.781 1.00 0.00 H new ATOM 0 HG SER A 22 -0.697 8.816 11.428 1.00 0.00 H new ATOM 310 N MET A 23 2.448 5.553 12.028 1.00 0.00 N ATOM 311 CA MET A 23 3.047 4.308 12.486 1.00 0.00 C ATOM 312 C MET A 23 2.131 3.140 12.165 1.00 0.00 C ATOM 313 O MET A 23 0.945 3.331 11.911 1.00 0.00 O ATOM 314 CB MET A 23 3.297 4.366 13.995 1.00 0.00 C ATOM 315 CG MET A 23 4.705 4.801 14.371 1.00 0.00 C ATOM 316 SD MET A 23 4.738 6.275 15.417 1.00 0.00 S ATOM 317 CE MET A 23 3.212 6.094 16.340 1.00 0.00 C ATOM 0 H MET A 23 1.429 5.572 12.078 1.00 0.00 H new ATOM 0 HA MET A 23 3.998 4.169 11.972 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.582 5.055 14.445 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.105 3.382 14.423 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.205 3.983 14.890 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.273 4.996 13.462 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.245 6.728 17.226 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.371 6.390 15.713 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.091 5.054 16.642 1.00 0.00 H new ATOM 327 N SER A 24 2.683 1.934 12.165 1.00 0.00 N ATOM 328 CA SER A 24 1.877 0.739 11.966 1.00 0.00 C ATOM 329 C SER A 24 1.194 0.344 13.272 1.00 0.00 C ATOM 330 O SER A 24 0.224 -0.414 13.275 1.00 0.00 O ATOM 331 CB SER A 24 2.736 -0.416 11.443 1.00 0.00 C ATOM 332 OG SER A 24 3.627 0.028 10.431 1.00 0.00 O ATOM 0 H SER A 24 3.679 1.759 12.300 1.00 0.00 H new ATOM 0 HA SER A 24 1.113 0.959 11.220 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.303 -0.853 12.265 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.093 -1.201 11.047 1.00 0.00 H new ATOM 0 HG SER A 24 4.543 0.026 10.778 1.00 0.00 H new ATOM 338 N GLY A 25 1.707 0.868 14.380 1.00 0.00 N ATOM 339 CA GLY A 25 1.085 0.645 15.670 1.00 0.00 C ATOM 340 C GLY A 25 -0.038 1.627 15.920 1.00 0.00 C ATOM 341 O GLY A 25 0.071 2.507 16.778 1.00 0.00 O ATOM 0 H GLY A 25 2.547 1.446 14.406 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.697 -0.373 15.717 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.833 0.738 16.457 1.00 0.00 H new ATOM 345 N SER A 26 -1.101 1.498 15.145 1.00 0.00 N ATOM 346 CA SER A 26 -2.265 2.362 15.268 1.00 0.00 C ATOM 347 C SER A 26 -3.506 1.630 14.762 1.00 0.00 C ATOM 348 O SER A 26 -3.412 0.483 14.322 1.00 0.00 O ATOM 349 CB SER A 26 -2.056 3.659 14.477 1.00 0.00 C ATOM 350 OG SER A 26 -0.847 4.299 14.854 1.00 0.00 O ATOM 0 H SER A 26 -1.183 0.792 14.413 1.00 0.00 H new ATOM 0 HA SER A 26 -2.404 2.618 16.318 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.037 3.438 13.410 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.896 4.332 14.648 1.00 0.00 H new ATOM 0 HG SER A 26 -0.737 5.122 14.334 1.00 0.00 H new ATOM 356 N ALA A 27 -4.658 2.281 14.828 1.00 0.00 N ATOM 357 CA ALA A 27 -5.891 1.680 14.349 1.00 0.00 C ATOM 358 C ALA A 27 -6.030 1.884 12.849 1.00 0.00 C ATOM 359 O ALA A 27 -6.038 0.926 12.079 1.00 0.00 O ATOM 360 CB ALA A 27 -7.089 2.267 15.080 1.00 0.00 C ATOM 0 H ALA A 27 -4.763 3.222 15.207 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.856 0.610 14.551 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.004 1.805 14.709 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.993 2.074 16.149 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.129 3.342 14.907 1.00 0.00 H new ATOM 366 N SER A 28 -6.123 3.141 12.447 1.00 0.00 N ATOM 367 CA SER A 28 -6.224 3.492 11.041 1.00 0.00 C ATOM 368 C SER A 28 -4.923 4.127 10.567 1.00 0.00 C ATOM 369 O SER A 28 -4.494 5.151 11.106 1.00 0.00 O ATOM 370 CB SER A 28 -7.389 4.461 10.827 1.00 0.00 C ATOM 371 OG SER A 28 -7.861 4.982 12.066 1.00 0.00 O ATOM 0 H SER A 28 -6.131 3.940 13.080 1.00 0.00 H new ATOM 0 HA SER A 28 -6.406 2.587 10.462 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.070 5.281 10.183 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.202 3.949 10.312 1.00 0.00 H new ATOM 0 HG SER A 28 -8.604 5.599 11.900 1.00 0.00 H new ATOM 377 N LEU A 29 -4.293 3.523 9.574 1.00 0.00 N ATOM 378 CA LEU A 29 -3.036 4.037 9.055 1.00 0.00 C ATOM 379 C LEU A 29 -3.249 4.682 7.696 1.00 0.00 C ATOM 380 O LEU A 29 -3.983 4.158 6.856 1.00 0.00 O ATOM 381 CB LEU A 29 -1.991 2.923 8.947 1.00 0.00 C ATOM 382 CG LEU A 29 -2.390 1.582 9.569 1.00 0.00 C ATOM 383 CD1 LEU A 29 -2.256 0.465 8.548 1.00 0.00 C ATOM 384 CD2 LEU A 29 -1.543 1.293 10.797 1.00 0.00 C ATOM 0 H LEU A 29 -4.630 2.678 9.112 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.667 4.789 9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.765 2.762 7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.071 3.264 9.422 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.433 1.639 9.880 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.543 -0.482 9.005 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.906 0.669 7.698 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.222 0.405 8.208 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.840 0.336 11.227 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.492 1.253 10.512 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.689 2.083 11.534 1.00 0.00 H new ATOM 396 N GLY A 30 -2.617 5.828 7.488 1.00 0.00 N ATOM 397 CA GLY A 30 -2.721 6.508 6.217 1.00 0.00 C ATOM 398 C GLY A 30 -1.774 5.931 5.188 1.00 0.00 C ATOM 399 O GLY A 30 -0.732 6.515 4.895 1.00 0.00 O ATOM 0 H GLY A 30 -2.033 6.299 8.180 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.745 6.435 5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.506 7.568 6.354 1.00 0.00 H new ATOM 403 N CYS A 31 -2.122 4.769 4.667 1.00 0.00 N ATOM 404 CA CYS A 31 -1.324 4.113 3.650 1.00 0.00 C ATOM 405 C CYS A 31 -1.677 4.635 2.265 1.00 0.00 C ATOM 406 O CYS A 31 -2.698 4.263 1.684 1.00 0.00 O ATOM 407 CB CYS A 31 -1.536 2.601 3.713 1.00 0.00 C ATOM 408 SG CYS A 31 -1.419 1.908 5.392 1.00 0.00 S ATOM 0 H CYS A 31 -2.962 4.256 4.936 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.274 4.334 3.841 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.517 2.364 3.301 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.797 2.114 3.077 1.00 0.00 H new ATOM 413 N VAL A 32 -0.836 5.506 1.735 1.00 0.00 N ATOM 414 CA VAL A 32 -1.043 6.023 0.394 1.00 0.00 C ATOM 415 C VAL A 32 -0.582 4.998 -0.633 1.00 0.00 C ATOM 416 O VAL A 32 0.310 4.191 -0.352 1.00 0.00 O ATOM 417 CB VAL A 32 -0.308 7.361 0.164 1.00 0.00 C ATOM 418 CG1 VAL A 32 -0.958 8.470 0.974 1.00 0.00 C ATOM 419 CG2 VAL A 32 1.167 7.239 0.506 1.00 0.00 C ATOM 0 H VAL A 32 -0.009 5.868 2.209 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.110 6.211 0.278 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.386 7.614 -0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.428 9.406 0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.999 8.581 0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.915 8.220 2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.661 8.196 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.276 6.957 1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.625 6.477 -0.124 1.00 0.00 H new ATOM 429 N VAL A 33 -1.210 5.014 -1.801 1.00 0.00 N ATOM 430 CA VAL A 33 -0.883 4.069 -2.857 1.00 0.00 C ATOM 431 C VAL A 33 0.561 4.246 -3.301 1.00 0.00 C ATOM 432 O VAL A 33 1.037 5.372 -3.445 1.00 0.00 O ATOM 433 CB VAL A 33 -1.826 4.229 -4.075 1.00 0.00 C ATOM 434 CG1 VAL A 33 -1.266 3.532 -5.311 1.00 0.00 C ATOM 435 CG2 VAL A 33 -3.210 3.692 -3.742 1.00 0.00 C ATOM 0 H VAL A 33 -1.951 5.673 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.016 3.066 -2.451 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.903 5.292 -4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.953 3.665 -6.146 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.298 3.964 -5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.146 2.468 -5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.864 3.810 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.138 2.636 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.621 4.245 -2.898 1.00 0.00 H new ATOM 445 N GLY A 34 1.257 3.130 -3.470 1.00 0.00 N ATOM 446 CA GLY A 34 2.602 3.164 -3.989 1.00 0.00 C ATOM 447 C GLY A 34 2.640 3.665 -5.416 1.00 0.00 C ATOM 448 O GLY A 34 2.547 2.883 -6.364 1.00 0.00 O ATOM 0 H GLY A 34 0.907 2.197 -3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.218 3.808 -3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.035 2.165 -3.943 1.00 0.00 H new ATOM 452 N VAL A 35 2.772 4.972 -5.561 1.00 0.00 N ATOM 453 CA VAL A 35 2.796 5.604 -6.864 1.00 0.00 C ATOM 454 C VAL A 35 4.174 5.454 -7.499 1.00 0.00 C ATOM 455 O VAL A 35 5.193 5.522 -6.812 1.00 0.00 O ATOM 456 CB VAL A 35 2.418 7.103 -6.749 1.00 0.00 C ATOM 457 CG1 VAL A 35 2.702 7.859 -8.041 1.00 0.00 C ATOM 458 CG2 VAL A 35 0.955 7.249 -6.357 1.00 0.00 C ATOM 0 H VAL A 35 2.865 5.621 -4.780 1.00 0.00 H new ATOM 0 HA VAL A 35 2.061 5.110 -7.500 1.00 0.00 H new ATOM 0 HB VAL A 35 3.041 7.542 -5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.423 8.906 -7.919 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.764 7.791 -8.276 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.122 7.422 -8.854 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.703 8.307 -6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.327 6.781 -7.115 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.786 6.764 -5.395 1.00 0.00 H new ATOM 468 N ILE A 36 4.194 5.224 -8.805 1.00 0.00 N ATOM 469 CA ILE A 36 5.439 5.074 -9.540 1.00 0.00 C ATOM 470 C ILE A 36 6.279 6.339 -9.427 1.00 0.00 C ATOM 471 O ILE A 36 6.004 7.341 -10.088 1.00 0.00 O ATOM 472 CB ILE A 36 5.186 4.766 -11.032 1.00 0.00 C ATOM 473 CG1 ILE A 36 3.967 3.857 -11.201 1.00 0.00 C ATOM 474 CG2 ILE A 36 6.415 4.120 -11.649 1.00 0.00 C ATOM 475 CD1 ILE A 36 2.825 4.503 -11.954 1.00 0.00 C ATOM 0 H ILE A 36 3.355 5.137 -9.379 1.00 0.00 H new ATOM 0 HA ILE A 36 5.975 4.234 -9.098 1.00 0.00 H new ATOM 0 HB ILE A 36 4.984 5.705 -11.547 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.270 2.951 -11.726 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.614 3.551 -10.216 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.225 3.907 -12.701 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.264 4.798 -11.564 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.639 3.190 -11.126 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.997 3.798 -12.034 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.494 5.393 -11.419 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.160 4.784 -12.952 1.00 0.00 H new ATOM 487 N GLY A 37 7.287 6.294 -8.570 1.00 0.00 N ATOM 488 CA GLY A 37 8.148 7.440 -8.373 1.00 0.00 C ATOM 489 C GLY A 37 8.185 7.886 -6.927 1.00 0.00 C ATOM 490 O GLY A 37 9.044 8.679 -6.536 1.00 0.00 O ATOM 0 H GLY A 37 7.525 5.479 -8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.158 7.194 -8.701 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.802 8.264 -8.997 1.00 0.00 H new ATOM 494 N SER A 38 7.253 7.382 -6.132 1.00 0.00 N ATOM 495 CA SER A 38 7.195 7.719 -4.721 1.00 0.00 C ATOM 496 C SER A 38 8.326 7.037 -3.953 1.00 0.00 C ATOM 497 O SER A 38 8.549 5.832 -4.088 1.00 0.00 O ATOM 498 CB SER A 38 5.834 7.319 -4.139 1.00 0.00 C ATOM 499 OG SER A 38 4.779 7.997 -4.803 1.00 0.00 O ATOM 0 H SER A 38 6.526 6.737 -6.442 1.00 0.00 H new ATOM 0 HA SER A 38 7.318 8.797 -4.618 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.696 6.242 -4.234 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.807 7.551 -3.074 1.00 0.00 H new ATOM 0 HG SER A 38 4.032 8.127 -4.182 1.00 0.00 H new ATOM 505 N GLN A 39 9.058 7.822 -3.175 1.00 0.00 N ATOM 506 CA GLN A 39 10.116 7.286 -2.337 1.00 0.00 C ATOM 507 C GLN A 39 9.578 7.038 -0.936 1.00 0.00 C ATOM 508 O GLN A 39 9.328 7.977 -0.178 1.00 0.00 O ATOM 509 CB GLN A 39 11.311 8.241 -2.293 1.00 0.00 C ATOM 510 CG GLN A 39 12.364 7.939 -3.347 1.00 0.00 C ATOM 511 CD GLN A 39 12.084 8.633 -4.665 1.00 0.00 C ATOM 512 OE1 GLN A 39 11.855 7.988 -5.689 1.00 0.00 O ATOM 513 NE2 GLN A 39 12.105 9.955 -4.650 1.00 0.00 N ATOM 0 H GLN A 39 8.937 8.833 -3.108 1.00 0.00 H new ATOM 0 HA GLN A 39 10.459 6.342 -2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.955 9.263 -2.428 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.771 8.191 -1.306 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.342 8.249 -2.978 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.411 6.862 -3.510 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.299 10.452 -3.781 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.927 10.478 -5.508 1.00 0.00 H new ATOM 522 N CYS A 40 9.386 5.773 -0.605 1.00 0.00 N ATOM 523 CA CYS A 40 8.799 5.394 0.672 1.00 0.00 C ATOM 524 C CYS A 40 9.798 5.558 1.810 1.00 0.00 C ATOM 525 O CYS A 40 10.739 4.777 1.944 1.00 0.00 O ATOM 526 CB CYS A 40 8.300 3.950 0.619 1.00 0.00 C ATOM 527 SG CYS A 40 6.498 3.787 0.386 1.00 0.00 S ATOM 0 H CYS A 40 9.629 4.985 -1.206 1.00 0.00 H new ATOM 0 HA CYS A 40 7.955 6.058 0.862 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.808 3.432 -0.194 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.582 3.446 1.543 1.00 0.00 H new ATOM 532 N GLY A 41 9.592 6.590 2.615 1.00 0.00 N ATOM 533 CA GLY A 41 10.435 6.811 3.770 1.00 0.00 C ATOM 534 C GLY A 41 9.697 6.551 5.067 1.00 0.00 C ATOM 535 O GLY A 41 10.281 6.606 6.148 1.00 0.00 O ATOM 0 H GLY A 41 8.852 7.281 2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.308 6.160 3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.802 7.837 3.761 1.00 0.00 H new ATOM 539 N ALA A 42 8.404 6.265 4.961 1.00 0.00 N ATOM 540 CA ALA A 42 7.590 5.995 6.134 1.00 0.00 C ATOM 541 C ALA A 42 7.609 4.507 6.457 1.00 0.00 C ATOM 542 O ALA A 42 8.386 4.054 7.296 1.00 0.00 O ATOM 543 CB ALA A 42 6.168 6.490 5.914 1.00 0.00 C ATOM 0 H ALA A 42 7.900 6.215 4.075 1.00 0.00 H new ATOM 0 HA ALA A 42 8.007 6.532 6.986 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.569 6.281 6.800 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.181 7.564 5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.734 5.979 5.054 1.00 0.00 H new ATOM 549 N SER A 43 6.766 3.746 5.776 1.00 0.00 N ATOM 550 CA SER A 43 6.727 2.306 5.949 1.00 0.00 C ATOM 551 C SER A 43 6.167 1.642 4.700 1.00 0.00 C ATOM 552 O SER A 43 5.039 1.930 4.294 1.00 0.00 O ATOM 553 CB SER A 43 5.875 1.935 7.167 1.00 0.00 C ATOM 554 OG SER A 43 6.541 2.273 8.372 1.00 0.00 O ATOM 0 H SER A 43 6.097 4.106 5.095 1.00 0.00 H new ATOM 0 HA SER A 43 7.744 1.950 6.114 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.918 2.454 7.118 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.659 0.867 7.153 1.00 0.00 H new ATOM 0 HG SER A 43 7.341 2.801 8.167 1.00 0.00 H new ATOM 560 N VAL A 44 6.964 0.779 4.087 1.00 0.00 N ATOM 561 CA VAL A 44 6.524 0.027 2.920 1.00 0.00 C ATOM 562 C VAL A 44 5.723 -1.181 3.374 1.00 0.00 C ATOM 563 O VAL A 44 6.285 -2.177 3.829 1.00 0.00 O ATOM 564 CB VAL A 44 7.710 -0.449 2.051 1.00 0.00 C ATOM 565 CG1 VAL A 44 7.237 -0.806 0.648 1.00 0.00 C ATOM 566 CG2 VAL A 44 8.807 0.607 2.005 1.00 0.00 C ATOM 0 H VAL A 44 7.921 0.582 4.379 1.00 0.00 H new ATOM 0 HA VAL A 44 5.910 0.691 2.311 1.00 0.00 H new ATOM 0 HB VAL A 44 8.129 -1.346 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.086 -1.139 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.498 -1.606 0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.787 0.071 0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.631 0.249 1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.408 1.528 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.168 0.801 3.015 1.00 0.00 H new ATOM 576 N LYS A 45 4.411 -1.075 3.280 1.00 0.00 N ATOM 577 CA LYS A 45 3.531 -2.128 3.745 1.00 0.00 C ATOM 578 C LYS A 45 2.780 -2.756 2.584 1.00 0.00 C ATOM 579 O LYS A 45 2.295 -2.063 1.693 1.00 0.00 O ATOM 580 CB LYS A 45 2.539 -1.578 4.774 1.00 0.00 C ATOM 581 CG LYS A 45 3.182 -0.714 5.844 1.00 0.00 C ATOM 582 CD LYS A 45 3.229 -1.429 7.182 1.00 0.00 C ATOM 583 CE LYS A 45 4.661 -1.693 7.614 1.00 0.00 C ATOM 584 NZ LYS A 45 4.735 -2.135 9.028 1.00 0.00 N ATOM 0 H LYS A 45 3.931 -0.267 2.884 1.00 0.00 H new ATOM 0 HA LYS A 45 4.142 -2.897 4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.779 -0.993 4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.027 -2.412 5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.193 -0.446 5.538 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.623 0.216 5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.724 -0.827 7.937 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.688 -2.372 7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.100 -2.456 6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.253 -0.787 7.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.728 -2.306 9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.339 -1.397 9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.191 -3.013 9.146 1.00 0.00 H new ATOM 598 N CYS A 46 2.707 -4.073 2.594 1.00 0.00 N ATOM 599 CA CYS A 46 1.923 -4.795 1.609 1.00 0.00 C ATOM 600 C CYS A 46 0.598 -5.216 2.224 1.00 0.00 C ATOM 601 O CYS A 46 0.516 -6.231 2.920 1.00 0.00 O ATOM 602 CB CYS A 46 2.686 -6.021 1.106 1.00 0.00 C ATOM 603 SG CYS A 46 4.261 -5.629 0.275 1.00 0.00 S ATOM 0 H CYS A 46 3.182 -4.666 3.274 1.00 0.00 H new ATOM 0 HA CYS A 46 1.734 -4.140 0.759 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.887 -6.682 1.949 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.050 -6.573 0.414 1.00 0.00 H new ATOM 608 N CYS A 47 -0.429 -4.417 1.989 1.00 0.00 N ATOM 609 CA CYS A 47 -1.749 -4.692 2.532 1.00 0.00 C ATOM 610 C CYS A 47 -2.716 -5.058 1.415 1.00 0.00 C ATOM 611 O CYS A 47 -2.433 -4.823 0.236 1.00 0.00 O ATOM 612 CB CYS A 47 -2.263 -3.486 3.320 1.00 0.00 C ATOM 613 SG CYS A 47 -1.117 -2.909 4.617 1.00 0.00 S ATOM 0 H CYS A 47 -0.374 -3.570 1.424 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.676 -5.540 3.213 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.455 -2.667 2.627 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.217 -3.744 3.780 1.00 0.00 H new ATOM 618 N LYS A 48 -3.842 -5.649 1.788 1.00 0.00 N ATOM 619 CA LYS A 48 -4.821 -6.117 0.816 1.00 0.00 C ATOM 620 C LYS A 48 -6.089 -5.270 0.851 1.00 0.00 C ATOM 621 O LYS A 48 -6.671 -4.979 -0.195 1.00 0.00 O ATOM 622 CB LYS A 48 -5.166 -7.579 1.106 1.00 0.00 C ATOM 623 CG LYS A 48 -5.998 -8.244 0.020 1.00 0.00 C ATOM 624 CD LYS A 48 -6.394 -9.664 0.406 1.00 0.00 C ATOM 625 CE LYS A 48 -5.196 -10.486 0.858 1.00 0.00 C ATOM 626 NZ LYS A 48 -5.435 -11.946 0.721 1.00 0.00 N ATOM 0 H LYS A 48 -4.101 -5.816 2.760 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.386 -6.028 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.241 -8.141 1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.708 -7.634 2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.895 -7.653 -0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.432 -8.264 -0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.133 -9.630 1.206 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.869 -10.152 -0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.322 -10.206 0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.969 -10.253 1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.688 -12.469 1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.360 -12.186 1.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.424 -12.207 -0.286 1.00 0.00 H new ATOM 640 N ASP A 49 -6.479 -4.864 2.062 1.00 0.00 N ATOM 641 CA ASP A 49 -7.754 -4.185 2.327 1.00 0.00 C ATOM 642 C ASP A 49 -8.913 -4.815 1.544 1.00 0.00 C ATOM 643 O ASP A 49 -9.427 -5.862 1.947 1.00 0.00 O ATOM 644 CB ASP A 49 -7.676 -2.655 2.118 1.00 0.00 C ATOM 645 CG ASP A 49 -7.186 -2.219 0.752 1.00 0.00 C ATOM 646 OD1 ASP A 49 -5.962 -2.112 0.559 1.00 0.00 O ATOM 647 OD2 ASP A 49 -8.027 -1.975 -0.136 1.00 0.00 O ATOM 0 H ASP A 49 -5.912 -4.999 2.899 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.963 -4.334 3.386 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.666 -2.230 2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.016 -2.233 2.876 1.00 0.00 H new ATOM 652 N ASP A 50 -9.314 -4.199 0.438 1.00 0.00 N ATOM 653 CA ASP A 50 -10.447 -4.682 -0.342 1.00 0.00 C ATOM 654 C ASP A 50 -10.533 -3.967 -1.689 1.00 0.00 C ATOM 655 O ASP A 50 -10.878 -4.575 -2.700 1.00 0.00 O ATOM 656 CB ASP A 50 -11.750 -4.478 0.438 1.00 0.00 C ATOM 657 CG ASP A 50 -12.987 -4.752 -0.391 1.00 0.00 C ATOM 658 OD1 ASP A 50 -13.155 -5.895 -0.865 1.00 0.00 O ATOM 659 OD2 ASP A 50 -13.807 -3.826 -0.555 1.00 0.00 O ATOM 0 H ASP A 50 -8.870 -3.362 0.061 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.299 -5.746 -0.527 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.751 -5.133 1.309 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.788 -3.454 0.809 1.00 0.00 H new ATOM 664 N VAL A 51 -10.198 -2.679 -1.701 1.00 0.00 N ATOM 665 CA VAL A 51 -10.322 -1.859 -2.906 1.00 0.00 C ATOM 666 C VAL A 51 -9.338 -2.317 -3.977 1.00 0.00 C ATOM 667 O VAL A 51 -8.129 -2.339 -3.752 1.00 0.00 O ATOM 668 CB VAL A 51 -10.083 -0.363 -2.606 1.00 0.00 C ATOM 669 CG1 VAL A 51 -10.489 0.494 -3.797 1.00 0.00 C ATOM 670 CG2 VAL A 51 -10.838 0.062 -1.355 1.00 0.00 C ATOM 0 H VAL A 51 -9.838 -2.179 -0.888 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.342 -1.983 -3.270 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.018 -0.216 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.313 1.545 -3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.898 0.210 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.547 0.342 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.656 1.119 -1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.906 -0.102 -1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.494 -0.527 -0.505 1.00 0.00 H new ATOM 680 N THR A 52 -9.859 -2.677 -5.143 1.00 0.00 N ATOM 681 CA THR A 52 -9.027 -3.188 -6.225 1.00 0.00 C ATOM 682 C THR A 52 -8.388 -2.059 -7.036 1.00 0.00 C ATOM 683 O THR A 52 -7.337 -2.242 -7.652 1.00 0.00 O ATOM 684 CB THR A 52 -9.849 -4.086 -7.166 1.00 0.00 C ATOM 685 OG1 THR A 52 -11.240 -3.994 -6.826 1.00 0.00 O ATOM 686 CG2 THR A 52 -9.391 -5.535 -7.070 1.00 0.00 C ATOM 0 H THR A 52 -10.853 -2.625 -5.364 1.00 0.00 H new ATOM 0 HA THR A 52 -8.231 -3.772 -5.763 1.00 0.00 H new ATOM 0 HB THR A 52 -9.698 -3.745 -8.190 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.762 -4.565 -7.427 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.987 -6.150 -7.744 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.340 -5.604 -7.350 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.518 -5.890 -6.047 1.00 0.00 H new ATOM 694 N ASN A 53 -9.025 -0.894 -7.026 1.00 0.00 N ATOM 695 CA ASN A 53 -8.555 0.247 -7.809 1.00 0.00 C ATOM 696 C ASN A 53 -7.292 0.852 -7.199 1.00 0.00 C ATOM 697 O ASN A 53 -7.308 1.345 -6.071 1.00 0.00 O ATOM 698 CB ASN A 53 -9.653 1.314 -7.904 1.00 0.00 C ATOM 699 CG ASN A 53 -9.456 2.256 -9.081 1.00 0.00 C ATOM 700 OD1 ASN A 53 -8.363 2.770 -9.307 1.00 0.00 O ATOM 701 ND2 ASN A 53 -10.513 2.488 -9.842 1.00 0.00 N ATOM 0 H ASN A 53 -9.870 -0.713 -6.484 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.314 -0.110 -8.810 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.623 0.824 -7.994 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.673 1.892 -6.980 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.436 3.111 -10.646 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.405 2.044 -9.625 1.00 0.00 H new ATOM 708 N THR A 54 -6.205 0.814 -7.957 1.00 0.00 N ATOM 709 CA THR A 54 -4.928 1.355 -7.506 1.00 0.00 C ATOM 710 C THR A 54 -4.789 2.837 -7.863 1.00 0.00 C ATOM 711 O THR A 54 -3.722 3.427 -7.700 1.00 0.00 O ATOM 712 CB THR A 54 -3.748 0.572 -8.123 1.00 0.00 C ATOM 713 OG1 THR A 54 -4.199 -0.716 -8.576 1.00 0.00 O ATOM 714 CG2 THR A 54 -2.623 0.395 -7.110 1.00 0.00 C ATOM 0 H THR A 54 -6.181 0.411 -8.894 1.00 0.00 H new ATOM 0 HA THR A 54 -4.904 1.251 -6.421 1.00 0.00 H new ATOM 0 HB THR A 54 -3.365 1.142 -8.969 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.447 -1.207 -8.968 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.804 -0.159 -7.569 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.264 1.373 -6.790 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.995 -0.156 -6.246 1.00 0.00 H new ATOM 722 N GLY A 55 -5.870 3.435 -8.351 1.00 0.00 N ATOM 723 CA GLY A 55 -5.842 4.838 -8.727 1.00 0.00 C ATOM 724 C GLY A 55 -6.237 5.747 -7.583 1.00 0.00 C ATOM 725 O GLY A 55 -6.439 6.949 -7.770 1.00 0.00 O ATOM 0 H GLY A 55 -6.768 2.973 -8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.841 5.101 -9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.517 5.000 -9.567 1.00 0.00 H new ATOM 729 N ASN A 56 -6.346 5.170 -6.396 1.00 0.00 N ATOM 730 CA ASN A 56 -6.717 5.922 -5.202 1.00 0.00 C ATOM 731 C ASN A 56 -5.584 6.849 -4.776 1.00 0.00 C ATOM 732 O ASN A 56 -4.417 6.599 -5.081 1.00 0.00 O ATOM 733 CB ASN A 56 -7.061 4.965 -4.057 1.00 0.00 C ATOM 734 CG ASN A 56 -8.139 5.512 -3.138 1.00 0.00 C ATOM 735 OD1 ASN A 56 -7.952 6.536 -2.479 1.00 0.00 O ATOM 736 ND2 ASN A 56 -9.272 4.827 -3.081 1.00 0.00 N ATOM 0 H ASN A 56 -6.182 4.177 -6.231 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.593 6.526 -5.439 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.392 4.013 -4.472 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.162 4.763 -3.475 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.029 5.143 -2.475 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.387 3.984 -3.643 1.00 0.00 H new ATOM 743 N SER A 57 -5.931 7.919 -4.079 1.00 0.00 N ATOM 744 CA SER A 57 -4.941 8.866 -3.588 1.00 0.00 C ATOM 745 C SER A 57 -4.274 8.335 -2.323 1.00 0.00 C ATOM 746 O SER A 57 -3.057 8.427 -2.162 1.00 0.00 O ATOM 747 CB SER A 57 -5.611 10.210 -3.313 1.00 0.00 C ATOM 748 OG SER A 57 -6.797 10.346 -4.083 1.00 0.00 O ATOM 0 H SER A 57 -6.894 8.155 -3.840 1.00 0.00 H new ATOM 0 HA SER A 57 -4.171 9.000 -4.347 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.848 10.294 -2.252 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.922 11.021 -3.550 1.00 0.00 H new ATOM 0 HG SER A 57 -7.213 11.212 -3.892 1.00 0.00 H new ATOM 754 N GLY A 58 -5.077 7.756 -1.441 1.00 0.00 N ATOM 755 CA GLY A 58 -4.564 7.222 -0.198 1.00 0.00 C ATOM 756 C GLY A 58 -5.607 6.406 0.526 1.00 0.00 C ATOM 757 O GLY A 58 -6.755 6.830 0.642 1.00 0.00 O ATOM 0 H GLY A 58 -6.083 7.647 -1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.691 6.601 -0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.232 8.040 0.441 1.00 0.00 H new ATOM 761 N LEU A 59 -5.221 5.236 1.006 1.00 0.00 N ATOM 762 CA LEU A 59 -6.164 4.341 1.652 1.00 0.00 C ATOM 763 C LEU A 59 -5.905 4.262 3.149 1.00 0.00 C ATOM 764 O LEU A 59 -4.852 3.798 3.591 1.00 0.00 O ATOM 765 CB LEU A 59 -6.090 2.948 1.030 1.00 0.00 C ATOM 766 CG LEU A 59 -7.356 2.505 0.296 1.00 0.00 C ATOM 767 CD1 LEU A 59 -7.026 2.082 -1.126 1.00 0.00 C ATOM 768 CD2 LEU A 59 -8.035 1.371 1.046 1.00 0.00 C ATOM 0 H LEU A 59 -4.264 4.885 0.961 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.166 4.742 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.254 2.922 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.871 2.226 1.816 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.044 3.350 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.939 1.770 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.582 2.921 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.321 1.251 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.934 1.068 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.353 0.524 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.305 1.707 2.047 1.00 0.00 H new ATOM 780 N ILE A 60 -6.867 4.732 3.924 1.00 0.00 N ATOM 781 CA ILE A 60 -6.776 4.665 5.374 1.00 0.00 C ATOM 782 C ILE A 60 -7.179 3.278 5.857 1.00 0.00 C ATOM 783 O ILE A 60 -8.280 3.076 6.369 1.00 0.00 O ATOM 784 CB ILE A 60 -7.668 5.725 6.061 1.00 0.00 C ATOM 785 CG1 ILE A 60 -7.827 6.962 5.174 1.00 0.00 C ATOM 786 CG2 ILE A 60 -7.084 6.111 7.415 1.00 0.00 C ATOM 787 CD1 ILE A 60 -9.178 7.051 4.496 1.00 0.00 C ATOM 0 H ILE A 60 -7.722 5.165 3.574 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.740 4.870 5.644 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.656 5.291 6.217 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.674 7.855 5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.047 6.956 4.412 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.722 6.858 7.887 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.027 5.228 8.052 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.085 6.524 7.276 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.219 7.952 3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.326 6.176 3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.963 7.089 5.252 1.00 0.00 H new ATOM 799 N ILE A 61 -6.289 2.320 5.656 1.00 0.00 N ATOM 800 CA ILE A 61 -6.544 0.944 6.051 1.00 0.00 C ATOM 801 C ILE A 61 -6.291 0.768 7.540 1.00 0.00 C ATOM 802 O ILE A 61 -5.442 1.442 8.121 1.00 0.00 O ATOM 803 CB ILE A 61 -5.656 -0.055 5.269 1.00 0.00 C ATOM 804 CG1 ILE A 61 -5.504 0.388 3.814 1.00 0.00 C ATOM 805 CG2 ILE A 61 -6.239 -1.462 5.334 1.00 0.00 C ATOM 806 CD1 ILE A 61 -4.194 -0.029 3.189 1.00 0.00 C ATOM 0 H ILE A 61 -5.379 2.471 5.220 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.588 0.732 5.820 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.670 -0.069 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.325 -0.027 3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.593 1.473 3.762 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.599 -2.147 4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.298 -1.784 6.374 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.237 -1.463 4.897 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.156 0.319 2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.368 0.408 3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.111 -1.116 3.208 1.00 0.00 H new ATOM 818 N ASN A 62 -7.053 -0.112 8.159 1.00 0.00 N ATOM 819 CA ASN A 62 -6.826 -0.455 9.548 1.00 0.00 C ATOM 820 C ASN A 62 -5.782 -1.562 9.639 1.00 0.00 C ATOM 821 O ASN A 62 -5.625 -2.352 8.707 1.00 0.00 O ATOM 822 CB ASN A 62 -8.136 -0.881 10.223 1.00 0.00 C ATOM 823 CG ASN A 62 -8.516 -2.323 9.944 1.00 0.00 C ATOM 824 OD1 ASN A 62 -8.662 -2.733 8.791 1.00 0.00 O ATOM 825 ND2 ASN A 62 -8.691 -3.099 11.001 1.00 0.00 N ATOM 0 H ASN A 62 -7.834 -0.602 7.722 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.453 0.424 10.074 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.044 -0.739 11.300 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.940 -0.229 9.883 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -8.957 -4.076 10.878 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -8.560 -2.720 11.939 1.00 0.00 H new ATOM 832 N ALA A 63 -5.055 -1.600 10.747 1.00 0.00 N ATOM 833 CA ALA A 63 -4.015 -2.602 10.945 1.00 0.00 C ATOM 834 C ALA A 63 -4.619 -3.999 11.069 1.00 0.00 C ATOM 835 O ALA A 63 -5.027 -4.415 12.154 1.00 0.00 O ATOM 836 CB ALA A 63 -3.188 -2.265 12.178 1.00 0.00 C ATOM 0 H ALA A 63 -5.166 -0.948 11.524 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.361 -2.595 10.073 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.415 -3.021 12.315 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.722 -1.288 12.048 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.835 -2.244 13.055 1.00 0.00 H new ATOM 842 N ALA A 64 -4.686 -4.708 9.948 1.00 0.00 N ATOM 843 CA ALA A 64 -5.251 -6.049 9.920 1.00 0.00 C ATOM 844 C ALA A 64 -4.619 -6.893 8.815 1.00 0.00 C ATOM 845 O ALA A 64 -3.723 -7.699 9.071 1.00 0.00 O ATOM 846 CB ALA A 64 -6.762 -5.978 9.734 1.00 0.00 C ATOM 0 H ALA A 64 -4.354 -4.373 9.043 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.032 -6.529 10.874 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.174 -6.987 9.714 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.205 -5.421 10.560 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.990 -5.475 8.794 1.00 0.00 H new ATOM 852 N ASN A 65 -5.067 -6.679 7.579 1.00 0.00 N ATOM 853 CA ASN A 65 -4.605 -7.470 6.440 1.00 0.00 C ATOM 854 C ASN A 65 -3.309 -6.902 5.869 1.00 0.00 C ATOM 855 O ASN A 65 -3.211 -6.612 4.673 1.00 0.00 O ATOM 856 CB ASN A 65 -5.678 -7.528 5.343 1.00 0.00 C ATOM 857 CG ASN A 65 -6.408 -6.212 5.160 1.00 0.00 C ATOM 858 OD1 ASN A 65 -5.824 -5.215 4.737 1.00 0.00 O ATOM 859 ND2 ASN A 65 -7.693 -6.204 5.473 1.00 0.00 N ATOM 0 H ASN A 65 -5.752 -5.962 7.340 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.414 -8.482 6.797 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.211 -7.813 4.400 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.400 -8.307 5.589 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.238 -5.349 5.367 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.139 -7.053 5.821 1.00 0.00 H new ATOM 866 N CYS A 66 -2.322 -6.748 6.732 1.00 0.00 N ATOM 867 CA CYS A 66 -1.009 -6.276 6.330 1.00 0.00 C ATOM 868 C CYS A 66 0.050 -7.264 6.799 1.00 0.00 C ATOM 869 O CYS A 66 -0.049 -7.805 7.903 1.00 0.00 O ATOM 870 CB CYS A 66 -0.743 -4.881 6.902 1.00 0.00 C ATOM 871 SG CYS A 66 -1.929 -3.615 6.342 1.00 0.00 S ATOM 0 H CYS A 66 -2.407 -6.946 7.729 1.00 0.00 H new ATOM 0 HA CYS A 66 -0.969 -6.205 5.243 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -0.770 -4.934 7.990 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.264 -4.570 6.623 1.00 0.00 H new ATOM 876 N VAL A 67 1.042 -7.513 5.952 1.00 0.00 N ATOM 877 CA VAL A 67 2.066 -8.520 6.236 1.00 0.00 C ATOM 878 C VAL A 67 2.806 -8.245 7.547 1.00 0.00 C ATOM 879 O VAL A 67 2.884 -9.116 8.413 1.00 0.00 O ATOM 880 CB VAL A 67 3.099 -8.633 5.094 1.00 0.00 C ATOM 881 CG1 VAL A 67 2.638 -9.648 4.060 1.00 0.00 C ATOM 882 CG2 VAL A 67 3.350 -7.279 4.443 1.00 0.00 C ATOM 0 H VAL A 67 1.162 -7.032 5.060 1.00 0.00 H new ATOM 0 HA VAL A 67 1.528 -9.463 6.327 1.00 0.00 H new ATOM 0 HB VAL A 67 4.040 -8.976 5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.377 -9.716 3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.524 -10.623 4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.681 -9.334 3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.082 -7.390 3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.417 -6.895 4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.731 -6.582 5.189 1.00 0.00 H new ATOM 892 N ALA A 68 3.338 -7.042 7.697 1.00 0.00 N ATOM 893 CA ALA A 68 4.127 -6.706 8.868 1.00 0.00 C ATOM 894 C ALA A 68 3.739 -5.341 9.409 1.00 0.00 C ATOM 895 O ALA A 68 3.445 -4.446 8.594 1.00 0.00 O ATOM 896 CB ALA A 68 5.609 -6.738 8.530 1.00 0.00 C ATOM 897 OXT ALA A 68 3.729 -5.174 10.646 1.00 0.00 O ATOM 0 H ALA A 68 3.237 -6.284 7.022 1.00 0.00 H new ATOM 0 HA ALA A 68 3.925 -7.448 9.641 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.190 -6.484 9.417 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.883 -7.737 8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.818 -6.016 7.741 1.00 0.00 H new TER 903 ALA A 68