USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 384 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 8 CYS SG : rot 165:sc= 0.521 USER MOD Set 1.2: A 32 HIS : no HD1:sc= -0.822 K(o=-0.3,f=-4.8!) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.991 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -136:sc= -0.127 (180deg=-0.806) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -171:sc=-0.00097 (180deg=-0.0756) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.525 K(o=0.52,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.00729 USER MOD Single : A 30 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.48) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 38 CYS SG : rot 180:sc= 0.836 USER MOD Single : A 40 LYS NZ :NH3+ 151:sc= 0.0999 (180deg=0.000443) USER MOD Single : A 41 CYS SG : rot 180:sc= 0.113 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -119:sc= 0.377 (180deg=-0.686) USER MOD Single : A 52 THR OG1 : rot 42:sc= 0.334 USER MOD Single : A 53 GLN : amide:sc= 0.244 K(o=0.24,f=-7.2!) USER MOD Single : A 54 ASN : amide:sc= -0.0586 X(o=-0.059,f=-0.059) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -1.91 USER MOD Single : A 60 GLN : amide:sc= -0.0591 K(o=-0.059,f=-1.9) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 170:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0862 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.559 -16.024 6.726 1.00 0.00 N ATOM 60 CA GLY A 7 -3.750 -15.691 7.487 1.00 0.00 C ATOM 61 C GLY A 7 -4.051 -14.195 7.502 1.00 0.00 C ATOM 62 O GLY A 7 -3.400 -13.406 6.827 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.603 -16.223 7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.629 -16.042 8.512 1.00 0.00 H new ATOM 66 N CYS A 8 -5.080 -13.799 8.263 1.00 0.00 N ATOM 67 CA CYS A 8 -5.481 -12.393 8.385 1.00 0.00 C ATOM 68 C CYS A 8 -4.289 -11.599 8.920 1.00 0.00 C ATOM 69 O CYS A 8 -4.006 -11.791 10.089 1.00 0.00 O ATOM 70 CB CYS A 8 -6.694 -12.227 9.352 1.00 0.00 C ATOM 71 SG CYS A 8 -7.474 -10.620 9.124 1.00 0.00 S ATOM 0 H CYS A 8 -5.655 -14.441 8.808 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.785 -12.025 7.405 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.421 -13.019 9.171 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.360 -12.331 10.384 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.648 -10.624 9.682 1.00 0.00 H new ATOM 76 N VAL A 9 -3.646 -10.693 8.181 1.00 0.00 N ATOM 77 CA VAL A 9 -2.501 -9.883 8.633 1.00 0.00 C ATOM 78 C VAL A 9 -2.675 -9.353 10.069 1.00 0.00 C ATOM 79 O VAL A 9 -1.720 -9.310 10.838 1.00 0.00 O ATOM 80 CB VAL A 9 -2.309 -8.691 7.660 1.00 0.00 C ATOM 81 CG1 VAL A 9 -1.257 -7.682 8.128 1.00 0.00 C ATOM 82 CG2 VAL A 9 -1.954 -9.129 6.242 1.00 0.00 C ATOM 0 H VAL A 9 -3.913 -10.492 7.217 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.623 -10.529 8.635 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.285 -8.205 7.655 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.176 -6.876 7.399 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.552 -7.270 9.093 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.293 -8.181 8.226 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.833 -8.250 5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.023 -9.695 6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.753 -9.755 5.844 1.00 0.00 H new ATOM 92 N ALA A 10 -3.898 -8.992 10.459 1.00 0.00 N ATOM 93 CA ALA A 10 -4.253 -8.456 11.764 1.00 0.00 C ATOM 94 C ALA A 10 -4.431 -9.479 12.901 1.00 0.00 C ATOM 95 O ALA A 10 -4.560 -9.047 14.041 1.00 0.00 O ATOM 96 CB ALA A 10 -5.573 -7.697 11.572 1.00 0.00 C ATOM 0 H ALA A 10 -4.704 -9.071 9.839 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.415 -7.839 12.089 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.889 -7.271 12.524 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.430 -6.897 10.846 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.338 -8.384 11.210 1.00 0.00 H new ATOM 102 N CYS A 11 -4.539 -10.790 12.637 1.00 0.00 N ATOM 103 CA CYS A 11 -4.745 -11.813 13.683 1.00 0.00 C ATOM 104 C CYS A 11 -4.188 -13.222 13.355 1.00 0.00 C ATOM 105 O CYS A 11 -4.334 -14.174 14.122 1.00 0.00 O ATOM 106 CB CYS A 11 -6.268 -11.912 13.939 1.00 0.00 C ATOM 107 SG CYS A 11 -7.148 -13.100 12.908 1.00 0.00 S ATOM 0 H CYS A 11 -4.486 -11.175 11.694 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.182 -11.488 14.558 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.427 -12.175 14.985 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.710 -10.927 13.787 1.00 0.00 H new ATOM 0 HG CYS A 11 -8.411 -13.092 13.218 1.00 0.00 H new ATOM 112 N SER A 12 -3.653 -13.395 12.154 1.00 0.00 N ATOM 113 CA SER A 12 -3.082 -14.588 11.542 1.00 0.00 C ATOM 114 C SER A 12 -4.046 -15.783 11.417 1.00 0.00 C ATOM 115 O SER A 12 -3.613 -16.861 11.011 1.00 0.00 O ATOM 116 CB SER A 12 -1.772 -14.968 12.224 1.00 0.00 C ATOM 117 OG SER A 12 -0.896 -13.860 12.323 1.00 0.00 O ATOM 0 H SER A 12 -3.603 -12.607 11.508 1.00 0.00 H new ATOM 0 HA SER A 12 -2.873 -14.316 10.507 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.980 -15.359 13.220 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.287 -15.767 11.663 1.00 0.00 H new ATOM 0 HG SER A 12 -0.067 -14.137 12.766 1.00 0.00 H new ATOM 123 N LYS A 13 -5.351 -15.628 11.707 1.00 0.00 N ATOM 124 CA LYS A 13 -6.292 -16.744 11.585 1.00 0.00 C ATOM 125 C LYS A 13 -6.301 -17.273 10.161 1.00 0.00 C ATOM 126 O LYS A 13 -6.066 -16.493 9.230 1.00 0.00 O ATOM 127 CB LYS A 13 -7.735 -16.384 11.954 1.00 0.00 C ATOM 128 CG LYS A 13 -8.037 -16.694 13.419 1.00 0.00 C ATOM 129 CD LYS A 13 -9.544 -16.747 13.680 1.00 0.00 C ATOM 130 CE LYS A 13 -10.245 -18.075 13.353 1.00 0.00 C ATOM 131 NZ LYS A 13 -10.564 -18.302 11.928 1.00 0.00 N ATOM 0 H LYS A 13 -5.768 -14.752 12.023 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.939 -17.493 12.294 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.906 -15.325 11.763 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.423 -16.938 11.315 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.585 -17.648 13.691 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.583 -15.934 14.054 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.717 -16.518 14.732 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.020 -15.957 13.099 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.612 -18.892 13.698 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.171 -18.125 13.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.529 -18.682 11.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.500 -17.402 11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.888 -18.982 11.525 1.00 0.00 H new ATOM 145 N PRO A 14 -6.637 -18.559 9.994 1.00 0.00 N ATOM 146 CA PRO A 14 -6.668 -19.173 8.691 1.00 0.00 C ATOM 147 C PRO A 14 -7.854 -18.613 7.921 1.00 0.00 C ATOM 148 O PRO A 14 -8.981 -18.606 8.438 1.00 0.00 O ATOM 149 CB PRO A 14 -6.746 -20.681 8.948 1.00 0.00 C ATOM 150 CG PRO A 14 -7.392 -20.805 10.325 1.00 0.00 C ATOM 151 CD PRO A 14 -6.958 -19.526 11.039 1.00 0.00 C ATOM 0 HA PRO A 14 -5.791 -18.967 8.078 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.341 -21.183 8.185 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.756 -21.137 8.932 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.477 -20.877 10.254 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.047 -21.695 10.851 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.754 -19.152 11.683 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.093 -19.711 11.676 1.00 0.00 H new ATOM 159 N ILE A 15 -7.595 -18.030 6.752 1.00 0.00 N ATOM 160 CA ILE A 15 -8.651 -17.490 5.907 1.00 0.00 C ATOM 161 C ILE A 15 -9.330 -18.722 5.299 1.00 0.00 C ATOM 162 O ILE A 15 -8.676 -19.740 5.052 1.00 0.00 O ATOM 163 CB ILE A 15 -8.077 -16.522 4.845 1.00 0.00 C ATOM 164 CG1 ILE A 15 -7.326 -15.321 5.467 1.00 0.00 C ATOM 165 CG2 ILE A 15 -9.171 -15.994 3.898 1.00 0.00 C ATOM 166 CD1 ILE A 15 -8.102 -14.458 6.454 1.00 0.00 C ATOM 0 H ILE A 15 -6.656 -17.921 6.369 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.370 -16.886 6.460 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.361 -17.115 4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.439 -15.701 5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.980 -14.681 4.656 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.725 -15.318 3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.638 -16.831 3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.925 -15.459 4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.462 -13.653 6.815 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.975 -14.033 5.958 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.425 -15.070 7.296 1.00 0.00 H new ATOM 178 N SER A 16 -10.647 -18.663 5.118 1.00 0.00 N ATOM 179 CA SER A 16 -11.420 -19.754 4.548 1.00 0.00 C ATOM 180 C SER A 16 -11.009 -20.012 3.092 1.00 0.00 C ATOM 181 O SER A 16 -10.241 -19.241 2.508 1.00 0.00 O ATOM 182 CB SER A 16 -12.899 -19.391 4.665 1.00 0.00 C ATOM 183 OG SER A 16 -13.213 -19.063 6.008 1.00 0.00 O ATOM 0 H SER A 16 -11.209 -17.848 5.366 1.00 0.00 H new ATOM 0 HA SER A 16 -11.229 -20.680 5.090 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.128 -18.548 4.013 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.515 -20.227 4.333 1.00 0.00 H new ATOM 0 HG SER A 16 -14.163 -18.830 6.074 1.00 0.00 H new ATOM 246 N LYS A 22 -15.923 -12.965 2.936 1.00 0.00 N ATOM 247 CA LYS A 22 -15.804 -11.547 2.608 1.00 0.00 C ATOM 248 C LYS A 22 -14.495 -11.059 3.209 1.00 0.00 C ATOM 249 O LYS A 22 -14.383 -10.728 4.393 1.00 0.00 O ATOM 250 CB LYS A 22 -17.054 -10.753 3.021 1.00 0.00 C ATOM 251 CG LYS A 22 -16.952 -9.294 2.538 1.00 0.00 C ATOM 252 CD LYS A 22 -18.288 -8.532 2.586 1.00 0.00 C ATOM 253 CE LYS A 22 -19.265 -8.845 1.449 1.00 0.00 C ATOM 254 NZ LYS A 22 -18.749 -8.486 0.109 1.00 0.00 N ATOM 0 HA LYS A 22 -15.763 -11.385 1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.944 -11.220 2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.165 -10.776 4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.221 -8.768 3.152 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.575 -9.285 1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.778 -8.752 3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.077 -7.463 2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.500 -9.909 1.466 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -20.198 -8.310 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.511 -8.580 -0.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.408 -7.504 0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.965 -9.122 -0.143 1.00 0.00 H new ATOM 268 N PHE A 23 -13.474 -11.068 2.367 1.00 0.00 N ATOM 269 CA PHE A 23 -12.112 -10.669 2.662 1.00 0.00 C ATOM 270 C PHE A 23 -11.651 -9.686 1.597 1.00 0.00 C ATOM 271 O PHE A 23 -12.281 -9.537 0.548 1.00 0.00 O ATOM 272 CB PHE A 23 -11.204 -11.909 2.693 1.00 0.00 C ATOM 273 CG PHE A 23 -11.346 -12.789 1.463 1.00 0.00 C ATOM 274 CD1 PHE A 23 -10.769 -12.416 0.231 1.00 0.00 C ATOM 275 CD2 PHE A 23 -12.134 -13.951 1.538 1.00 0.00 C ATOM 276 CE1 PHE A 23 -10.992 -13.197 -0.917 1.00 0.00 C ATOM 277 CE2 PHE A 23 -12.360 -14.728 0.390 1.00 0.00 C ATOM 278 CZ PHE A 23 -11.795 -14.346 -0.835 1.00 0.00 C ATOM 0 H PHE A 23 -13.584 -11.374 1.400 1.00 0.00 H new ATOM 0 HA PHE A 23 -12.061 -10.188 3.639 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.166 -11.589 2.784 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.435 -12.498 3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.155 -11.530 0.169 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -12.567 -14.247 2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -10.547 -12.914 -1.859 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.968 -15.618 0.451 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.978 -14.938 -1.719 1.00 0.00 H new ATOM 288 N ILE A 24 -10.557 -9.003 1.888 1.00 0.00 N ATOM 289 CA ILE A 24 -9.897 -8.030 1.046 1.00 0.00 C ATOM 290 C ILE A 24 -8.515 -8.637 0.751 1.00 0.00 C ATOM 291 O ILE A 24 -7.999 -9.467 1.519 1.00 0.00 O ATOM 292 CB ILE A 24 -9.825 -6.656 1.764 1.00 0.00 C ATOM 293 CG1 ILE A 24 -11.115 -6.240 2.517 1.00 0.00 C ATOM 294 CG2 ILE A 24 -9.420 -5.545 0.781 1.00 0.00 C ATOM 295 CD1 ILE A 24 -12.354 -6.011 1.641 1.00 0.00 C ATOM 0 H ILE A 24 -10.077 -9.125 2.780 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.430 -7.831 0.116 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.061 -6.787 2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.349 -7.011 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.910 -5.324 3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.376 -4.592 1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.441 -5.772 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.155 -5.483 -0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.197 -5.725 2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.150 -5.216 0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.596 -6.929 1.106 1.00 0.00 H new ATOM 307 N CYS A 25 -7.961 -8.282 -0.403 1.00 0.00 N ATOM 308 CA CYS A 25 -6.664 -8.693 -0.905 1.00 0.00 C ATOM 309 C CYS A 25 -6.015 -7.394 -1.339 1.00 0.00 C ATOM 310 O CYS A 25 -6.565 -6.704 -2.199 1.00 0.00 O ATOM 311 CB CYS A 25 -6.804 -9.639 -2.103 1.00 0.00 C ATOM 312 SG CYS A 25 -7.276 -11.305 -1.564 1.00 0.00 S ATOM 0 H CYS A 25 -8.441 -7.658 -1.052 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.086 -9.236 -0.157 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.553 -9.250 -2.792 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.861 -9.683 -2.648 1.00 0.00 H new ATOM 0 HG CYS A 25 -7.389 -12.081 -2.601 1.00 0.00 H new ATOM 318 N PHE A 26 -4.901 -7.035 -0.717 1.00 0.00 N ATOM 319 CA PHE A 26 -4.177 -5.823 -1.030 1.00 0.00 C ATOM 320 C PHE A 26 -2.711 -6.143 -0.843 1.00 0.00 C ATOM 321 O PHE A 26 -2.352 -6.711 0.188 1.00 0.00 O ATOM 322 CB PHE A 26 -4.634 -4.715 -0.084 1.00 0.00 C ATOM 323 CG PHE A 26 -4.022 -3.365 -0.362 1.00 0.00 C ATOM 324 CD1 PHE A 26 -4.644 -2.494 -1.274 1.00 0.00 C ATOM 325 CD2 PHE A 26 -2.845 -2.967 0.302 1.00 0.00 C ATOM 326 CE1 PHE A 26 -4.102 -1.222 -1.507 1.00 0.00 C ATOM 327 CE2 PHE A 26 -2.300 -1.695 0.061 1.00 0.00 C ATOM 328 CZ PHE A 26 -2.933 -0.822 -0.839 1.00 0.00 C ATOM 0 H PHE A 26 -4.474 -7.587 0.027 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.357 -5.479 -2.049 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.719 -4.628 -0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.394 -5.005 0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.538 -2.804 -1.794 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.362 -3.639 0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.584 -0.549 -2.201 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.396 -1.389 0.567 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.520 0.160 -1.018 1.00 0.00 H new ATOM 338 N GLN A 27 -1.875 -5.807 -1.830 1.00 0.00 N ATOM 339 CA GLN A 27 -0.432 -6.055 -1.783 1.00 0.00 C ATOM 340 C GLN A 27 -0.129 -7.549 -1.533 1.00 0.00 C ATOM 341 O GLN A 27 0.930 -7.912 -1.020 1.00 0.00 O ATOM 342 CB GLN A 27 0.137 -5.105 -0.722 1.00 0.00 C ATOM 343 CG GLN A 27 1.591 -4.664 -0.878 1.00 0.00 C ATOM 344 CD GLN A 27 1.860 -3.610 0.188 1.00 0.00 C ATOM 345 OE1 GLN A 27 2.298 -3.927 1.290 1.00 0.00 O ATOM 346 NE2 GLN A 27 1.512 -2.357 -0.063 1.00 0.00 N ATOM 0 H GLN A 27 -2.183 -5.352 -2.689 1.00 0.00 H new ATOM 0 HA GLN A 27 0.053 -5.848 -2.737 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.486 -4.211 -0.703 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.034 -5.586 0.251 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.265 -5.512 -0.759 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.765 -4.257 -1.874 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.149 -2.103 -0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.607 -1.646 0.662 1.00 0.00 H new ATOM 355 N ASP A 28 -1.090 -8.408 -1.881 1.00 0.00 N ATOM 356 CA ASP A 28 -1.133 -9.862 -1.771 1.00 0.00 C ATOM 357 C ASP A 28 -1.303 -10.359 -0.337 1.00 0.00 C ATOM 358 O ASP A 28 -1.397 -11.571 -0.113 1.00 0.00 O ATOM 359 CB ASP A 28 -0.023 -10.543 -2.581 1.00 0.00 C ATOM 360 CG ASP A 28 -0.339 -10.385 -4.060 1.00 0.00 C ATOM 361 OD1 ASP A 28 -0.206 -9.261 -4.597 1.00 0.00 O ATOM 362 OD2 ASP A 28 -0.855 -11.342 -4.668 1.00 0.00 O ATOM 0 H ASP A 28 -1.954 -8.057 -2.294 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.055 -10.188 -2.253 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.944 -10.095 -2.350 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.044 -11.599 -2.319 1.00 0.00 H new ATOM 367 N SER A 29 -1.379 -9.460 0.644 1.00 0.00 N ATOM 368 CA SER A 29 -1.593 -9.820 2.037 1.00 0.00 C ATOM 369 C SER A 29 -3.119 -10.042 2.215 1.00 0.00 C ATOM 370 O SER A 29 -3.905 -9.631 1.345 1.00 0.00 O ATOM 371 CB SER A 29 -0.961 -8.780 2.974 1.00 0.00 C ATOM 372 OG SER A 29 -0.023 -7.903 2.346 1.00 0.00 O ATOM 0 H SER A 29 -1.293 -8.456 0.489 1.00 0.00 H new ATOM 0 HA SER A 29 -1.090 -10.747 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.756 -8.181 3.419 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.460 -9.302 3.789 1.00 0.00 H new ATOM 0 HG SER A 29 0.330 -7.273 3.009 1.00 0.00 H new ATOM 378 N GLN A 30 -3.580 -10.686 3.294 1.00 0.00 N ATOM 379 CA GLN A 30 -5.004 -10.968 3.510 1.00 0.00 C ATOM 380 C GLN A 30 -5.631 -10.177 4.657 1.00 0.00 C ATOM 381 O GLN A 30 -5.112 -10.140 5.778 1.00 0.00 O ATOM 382 CB GLN A 30 -5.213 -12.472 3.763 1.00 0.00 C ATOM 383 CG GLN A 30 -4.636 -13.362 2.655 1.00 0.00 C ATOM 384 CD GLN A 30 -5.098 -14.811 2.782 1.00 0.00 C ATOM 385 OE1 GLN A 30 -4.673 -15.555 3.668 1.00 0.00 O ATOM 386 NE2 GLN A 30 -5.991 -15.251 1.911 1.00 0.00 N ATOM 0 H GLN A 30 -2.976 -11.026 4.042 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.508 -10.650 2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.750 -12.741 4.713 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.280 -12.672 3.860 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.936 -12.970 1.683 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.547 -13.325 2.691 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.339 -14.631 1.180 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.332 -16.211 1.970 1.00 0.00 H new ATOM 395 N TRP A 31 -6.823 -9.626 4.422 1.00 0.00 N ATOM 396 CA TRP A 31 -7.556 -8.858 5.416 1.00 0.00 C ATOM 397 C TRP A 31 -9.011 -9.305 5.502 1.00 0.00 C ATOM 398 O TRP A 31 -9.696 -9.440 4.494 1.00 0.00 O ATOM 399 CB TRP A 31 -7.442 -7.355 5.123 1.00 0.00 C ATOM 400 CG TRP A 31 -6.277 -6.663 5.766 1.00 0.00 C ATOM 401 CD1 TRP A 31 -6.291 -6.111 7.000 1.00 0.00 C ATOM 402 CD2 TRP A 31 -4.940 -6.398 5.238 1.00 0.00 C ATOM 403 NE1 TRP A 31 -5.039 -5.639 7.318 1.00 0.00 N ATOM 404 CE2 TRP A 31 -4.188 -5.728 6.249 1.00 0.00 C ATOM 405 CE3 TRP A 31 -4.291 -6.618 4.006 1.00 0.00 C ATOM 406 CZ2 TRP A 31 -2.872 -5.298 6.058 1.00 0.00 C ATOM 407 CZ3 TRP A 31 -2.979 -6.157 3.789 1.00 0.00 C ATOM 408 CH2 TRP A 31 -2.262 -5.524 4.821 1.00 0.00 C ATOM 0 H TRP A 31 -7.306 -9.704 3.527 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.107 -9.046 6.391 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.376 -7.216 4.044 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -8.360 -6.867 5.451 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.158 -6.050 7.642 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.778 -5.270 8.232 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.807 -7.147 3.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -2.336 -4.800 6.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.518 -6.290 2.821 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.241 -5.213 4.657 1.00 0.00 H new ATOM 419 N HIS A 32 -9.467 -9.652 6.707 1.00 0.00 N ATOM 420 CA HIS A 32 -10.863 -10.037 6.931 1.00 0.00 C ATOM 421 C HIS A 32 -11.643 -8.719 6.855 1.00 0.00 C ATOM 422 O HIS A 32 -11.061 -7.692 7.215 1.00 0.00 O ATOM 423 CB HIS A 32 -11.074 -10.586 8.352 1.00 0.00 C ATOM 424 CG HIS A 32 -10.549 -11.964 8.676 1.00 0.00 C ATOM 425 ND1 HIS A 32 -9.938 -12.318 9.893 1.00 0.00 N ATOM 426 CD2 HIS A 32 -10.799 -13.089 7.947 1.00 0.00 C ATOM 427 CE1 HIS A 32 -9.908 -13.666 9.883 1.00 0.00 C ATOM 428 NE2 HIS A 32 -10.399 -14.146 8.731 1.00 0.00 N ATOM 0 H HIS A 32 -8.888 -9.674 7.546 1.00 0.00 H new ATOM 0 HA HIS A 32 -11.168 -10.798 6.213 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.617 -9.884 9.050 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.145 -10.583 8.553 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.225 -13.140 6.956 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.538 -14.277 10.693 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -10.465 -15.132 8.478 1.00 0.00 H new ATOM 436 N SER A 33 -12.937 -8.735 6.509 1.00 0.00 N ATOM 437 CA SER A 33 -13.758 -7.521 6.438 1.00 0.00 C ATOM 438 C SER A 33 -13.588 -6.720 7.738 1.00 0.00 C ATOM 439 O SER A 33 -13.095 -5.594 7.731 1.00 0.00 O ATOM 440 CB SER A 33 -15.227 -7.918 6.181 1.00 0.00 C ATOM 441 OG SER A 33 -16.075 -6.811 5.953 1.00 0.00 O ATOM 0 H SER A 33 -13.442 -9.588 6.271 1.00 0.00 H new ATOM 0 HA SER A 33 -13.439 -6.883 5.614 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.270 -8.583 5.319 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.599 -8.481 7.037 1.00 0.00 H new ATOM 0 HG SER A 33 -16.989 -7.126 5.795 1.00 0.00 H new ATOM 447 N GLU A 34 -13.843 -7.371 8.874 1.00 0.00 N ATOM 448 CA GLU A 34 -13.766 -6.809 10.222 1.00 0.00 C ATOM 449 C GLU A 34 -12.360 -6.395 10.689 1.00 0.00 C ATOM 450 O GLU A 34 -12.189 -5.915 11.814 1.00 0.00 O ATOM 451 CB GLU A 34 -14.310 -7.854 11.206 1.00 0.00 C ATOM 452 CG GLU A 34 -15.622 -8.567 10.841 1.00 0.00 C ATOM 453 CD GLU A 34 -16.806 -7.634 10.594 1.00 0.00 C ATOM 454 OE1 GLU A 34 -16.698 -6.406 10.778 1.00 0.00 O ATOM 455 OE2 GLU A 34 -17.873 -8.135 10.183 1.00 0.00 O ATOM 0 H GLU A 34 -14.122 -8.352 8.878 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.351 -5.890 10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.542 -8.615 11.344 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.451 -7.365 12.170 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.457 -9.168 9.947 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.881 -9.256 11.645 1.00 0.00 H new ATOM 462 N CYS A 35 -11.328 -6.634 9.880 1.00 0.00 N ATOM 463 CA CYS A 35 -9.955 -6.300 10.212 1.00 0.00 C ATOM 464 C CYS A 35 -9.296 -5.311 9.250 1.00 0.00 C ATOM 465 O CYS A 35 -8.159 -4.944 9.533 1.00 0.00 O ATOM 466 CB CYS A 35 -9.155 -7.579 10.554 1.00 0.00 C ATOM 467 SG CYS A 35 -9.253 -7.913 12.325 1.00 0.00 S ATOM 0 H CYS A 35 -11.430 -7.071 8.964 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.958 -5.710 11.128 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -9.550 -8.426 9.993 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -8.114 -7.457 10.256 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.580 -8.990 12.601 1.00 0.00 H new ATOM 472 N PHE A 36 -9.968 -4.881 8.176 1.00 0.00 N ATOM 473 CA PHE A 36 -9.460 -3.926 7.190 1.00 0.00 C ATOM 474 C PHE A 36 -9.860 -2.510 7.629 1.00 0.00 C ATOM 475 O PHE A 36 -11.034 -2.138 7.485 1.00 0.00 O ATOM 476 CB PHE A 36 -10.055 -4.281 5.821 1.00 0.00 C ATOM 477 CG PHE A 36 -9.558 -3.427 4.672 1.00 0.00 C ATOM 478 CD1 PHE A 36 -8.179 -3.336 4.401 1.00 0.00 C ATOM 479 CD2 PHE A 36 -10.478 -2.748 3.846 1.00 0.00 C ATOM 480 CE1 PHE A 36 -7.731 -2.565 3.317 1.00 0.00 C ATOM 481 CE2 PHE A 36 -10.025 -1.984 2.760 1.00 0.00 C ATOM 482 CZ PHE A 36 -8.649 -1.889 2.502 1.00 0.00 C ATOM 0 H PHE A 36 -10.913 -5.201 7.964 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.373 -3.968 7.117 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.831 -5.325 5.603 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.140 -4.193 5.878 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.469 -3.858 5.025 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.536 -2.817 4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.674 -2.492 3.110 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.732 -1.471 2.125 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.296 -1.293 1.673 1.00 0.00 H new ATOM 492 N ASN A 37 -8.939 -1.727 8.199 1.00 0.00 N ATOM 493 CA ASN A 37 -9.234 -0.377 8.684 1.00 0.00 C ATOM 494 C ASN A 37 -8.022 0.569 8.718 1.00 0.00 C ATOM 495 O ASN A 37 -6.889 0.165 8.477 1.00 0.00 O ATOM 496 CB ASN A 37 -9.891 -0.468 10.071 1.00 0.00 C ATOM 497 CG ASN A 37 -9.295 -1.474 11.032 1.00 0.00 C ATOM 498 OD1 ASN A 37 -8.098 -1.467 11.291 1.00 0.00 O ATOM 499 ND2 ASN A 37 -10.127 -2.320 11.615 1.00 0.00 N ATOM 0 H ASN A 37 -7.969 -2.012 8.337 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.918 0.068 7.962 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.846 0.517 10.536 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.945 -0.708 9.935 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.777 -2.990 12.300 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.119 -2.303 11.380 1.00 0.00 H new ATOM 506 N CYS A 38 -8.266 1.864 8.999 1.00 0.00 N ATOM 507 CA CYS A 38 -7.237 2.908 9.067 1.00 0.00 C ATOM 508 C CYS A 38 -6.280 2.654 10.220 1.00 0.00 C ATOM 509 O CYS A 38 -6.732 2.768 11.355 1.00 0.00 O ATOM 510 CB CYS A 38 -7.843 4.310 9.330 1.00 0.00 C ATOM 511 SG CYS A 38 -6.612 5.595 8.992 1.00 0.00 S ATOM 0 H CYS A 38 -9.205 2.216 9.188 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.731 2.880 8.102 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.719 4.460 8.699 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.179 4.381 10.364 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.134 6.765 9.215 1.00 0.00 H new ATOM 516 N GLY A 39 -4.978 2.538 9.983 1.00 0.00 N ATOM 517 CA GLY A 39 -4.036 2.291 11.084 1.00 0.00 C ATOM 518 C GLY A 39 -4.036 3.398 12.152 1.00 0.00 C ATOM 519 O GLY A 39 -3.811 3.149 13.332 1.00 0.00 O ATOM 0 H GLY A 39 -4.551 2.608 9.060 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.284 1.341 11.557 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.030 2.191 10.676 1.00 0.00 H new ATOM 523 N LYS A 40 -4.387 4.637 11.776 1.00 0.00 N ATOM 524 CA LYS A 40 -4.403 5.781 12.689 1.00 0.00 C ATOM 525 C LYS A 40 -5.570 5.849 13.671 1.00 0.00 C ATOM 526 O LYS A 40 -5.544 6.655 14.595 1.00 0.00 O ATOM 527 CB LYS A 40 -4.321 7.058 11.844 1.00 0.00 C ATOM 528 CG LYS A 40 -2.839 7.351 11.602 1.00 0.00 C ATOM 529 CD LYS A 40 -2.556 8.439 10.561 1.00 0.00 C ATOM 530 CE LYS A 40 -1.070 8.835 10.480 1.00 0.00 C ATOM 531 NZ LYS A 40 -0.129 7.729 10.161 1.00 0.00 N ATOM 0 H LYS A 40 -4.669 4.871 10.824 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.540 5.663 13.344 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.846 6.927 10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.798 7.891 12.360 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.383 7.646 12.547 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.349 6.430 11.286 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.885 8.090 9.582 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.148 9.323 10.800 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.960 9.612 9.723 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.777 9.275 11.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.699 8.111 9.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.180 7.271 11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.607 7.030 9.557 1.00 0.00 H new ATOM 545 N CYS A 41 -6.673 5.160 13.391 1.00 0.00 N ATOM 546 CA CYS A 41 -7.826 5.160 14.268 1.00 0.00 C ATOM 547 C CYS A 41 -8.726 3.918 14.276 1.00 0.00 C ATOM 548 O CYS A 41 -9.616 3.858 15.115 1.00 0.00 O ATOM 549 CB CYS A 41 -8.673 6.365 13.907 1.00 0.00 C ATOM 550 SG CYS A 41 -9.945 6.139 12.646 1.00 0.00 S ATOM 0 H CYS A 41 -6.786 4.591 12.552 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.407 5.178 15.274 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.159 6.719 14.816 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.005 7.159 13.573 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.576 7.260 12.460 1.00 0.00 H new ATOM 555 N SER A 42 -8.585 3.004 13.314 1.00 0.00 N ATOM 556 CA SER A 42 -9.361 1.765 13.189 1.00 0.00 C ATOM 557 C SER A 42 -10.700 1.905 12.442 1.00 0.00 C ATOM 558 O SER A 42 -11.452 0.934 12.394 1.00 0.00 O ATOM 559 CB SER A 42 -9.462 0.980 14.511 1.00 0.00 C ATOM 560 OG SER A 42 -8.162 0.764 15.045 1.00 0.00 O ATOM 0 H SER A 42 -7.898 3.110 12.568 1.00 0.00 H new ATOM 0 HA SER A 42 -8.767 1.143 12.520 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.072 1.532 15.226 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.958 0.025 14.340 1.00 0.00 H new ATOM 0 HG SER A 42 -8.232 0.266 15.886 1.00 0.00 H new ATOM 566 N VAL A 43 -10.990 3.035 11.777 1.00 0.00 N ATOM 567 CA VAL A 43 -12.240 3.180 11.015 1.00 0.00 C ATOM 568 C VAL A 43 -12.160 2.199 9.845 1.00 0.00 C ATOM 569 O VAL A 43 -11.132 2.169 9.150 1.00 0.00 O ATOM 570 CB VAL A 43 -12.507 4.629 10.537 1.00 0.00 C ATOM 571 CG1 VAL A 43 -11.453 5.181 9.557 1.00 0.00 C ATOM 572 CG2 VAL A 43 -13.880 4.772 9.863 1.00 0.00 C ATOM 0 H VAL A 43 -10.382 3.854 11.751 1.00 0.00 H new ATOM 0 HA VAL A 43 -13.088 2.953 11.661 1.00 0.00 H new ATOM 0 HB VAL A 43 -12.462 5.211 11.458 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.718 6.200 9.274 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.474 5.180 10.037 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.421 4.554 8.666 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.023 5.805 9.544 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.930 4.114 8.995 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.663 4.499 10.571 1.00 0.00 H new ATOM 582 N SER A 44 -13.216 1.420 9.629 1.00 0.00 N ATOM 583 CA SER A 44 -13.307 0.433 8.571 1.00 0.00 C ATOM 584 C SER A 44 -13.080 1.057 7.201 1.00 0.00 C ATOM 585 O SER A 44 -13.598 2.137 6.900 1.00 0.00 O ATOM 586 CB SER A 44 -14.690 -0.212 8.623 1.00 0.00 C ATOM 587 OG SER A 44 -14.909 -0.762 9.902 1.00 0.00 O ATOM 0 H SER A 44 -14.056 1.464 10.207 1.00 0.00 H new ATOM 0 HA SER A 44 -12.530 -0.316 8.723 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.457 0.530 8.399 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.768 -0.990 7.864 1.00 0.00 H new ATOM 0 HG SER A 44 -15.798 -1.174 9.933 1.00 0.00 H new ATOM 593 N LEU A 45 -12.290 0.387 6.365 1.00 0.00 N ATOM 594 CA LEU A 45 -12.014 0.834 5.001 1.00 0.00 C ATOM 595 C LEU A 45 -12.844 -0.016 4.030 1.00 0.00 C ATOM 596 O LEU A 45 -12.781 0.201 2.824 1.00 0.00 O ATOM 597 CB LEU A 45 -10.505 0.834 4.702 1.00 0.00 C ATOM 598 CG LEU A 45 -9.711 1.879 5.513 1.00 0.00 C ATOM 599 CD1 LEU A 45 -8.228 1.827 5.139 1.00 0.00 C ATOM 600 CD2 LEU A 45 -10.223 3.318 5.352 1.00 0.00 C ATOM 0 H LEU A 45 -11.822 -0.484 6.615 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.318 1.873 4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.102 -0.157 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.354 1.022 3.639 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.856 1.609 6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.680 2.570 5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.833 0.834 5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.113 2.040 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.612 3.991 5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.161 3.611 4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.260 3.375 5.684 1.00 0.00 H new ATOM 612 N VAL A 46 -13.618 -0.981 4.539 1.00 0.00 N ATOM 613 CA VAL A 46 -14.472 -1.820 3.720 1.00 0.00 C ATOM 614 C VAL A 46 -15.595 -0.913 3.214 1.00 0.00 C ATOM 615 O VAL A 46 -16.066 -0.039 3.948 1.00 0.00 O ATOM 616 CB VAL A 46 -15.047 -2.982 4.560 1.00 0.00 C ATOM 617 CG1 VAL A 46 -15.864 -3.942 3.686 1.00 0.00 C ATOM 618 CG2 VAL A 46 -13.946 -3.805 5.239 1.00 0.00 C ATOM 0 H VAL A 46 -13.663 -1.195 5.535 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.921 -2.266 2.892 1.00 0.00 H new ATOM 0 HB VAL A 46 -15.678 -2.518 5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -16.257 -4.750 4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -16.691 -3.401 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.225 -4.358 2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.398 -4.610 5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -13.288 -4.229 4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.368 -3.162 5.902 1.00 0.00 H new ATOM 628 N GLY A 47 -16.018 -1.107 1.966 1.00 0.00 N ATOM 629 CA GLY A 47 -17.098 -0.319 1.400 1.00 0.00 C ATOM 630 C GLY A 47 -16.760 1.149 1.170 1.00 0.00 C ATOM 631 O GLY A 47 -17.676 1.978 1.104 1.00 0.00 O ATOM 0 H GLY A 47 -15.626 -1.804 1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -17.395 -0.763 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.961 -0.380 2.063 1.00 0.00 H new ATOM 635 N LYS A 48 -15.478 1.513 1.082 1.00 0.00 N ATOM 636 CA LYS A 48 -15.081 2.889 0.832 1.00 0.00 C ATOM 637 C LYS A 48 -13.731 2.916 0.143 1.00 0.00 C ATOM 638 O LYS A 48 -12.904 2.047 0.408 1.00 0.00 O ATOM 639 CB LYS A 48 -15.053 3.696 2.143 1.00 0.00 C ATOM 640 CG LYS A 48 -13.820 3.549 3.046 1.00 0.00 C ATOM 641 CD LYS A 48 -13.783 4.592 4.179 1.00 0.00 C ATOM 642 CE LYS A 48 -14.060 6.042 3.744 1.00 0.00 C ATOM 643 NZ LYS A 48 -13.301 6.460 2.545 1.00 0.00 N ATOM 0 H LYS A 48 -14.697 0.864 1.182 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.815 3.356 0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.159 4.751 1.890 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -15.931 3.418 2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.809 2.549 3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.918 3.644 2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.516 4.310 4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.803 4.553 4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.126 6.155 3.546 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.817 6.712 4.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.683 7.261 2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.722 5.665 2.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.964 6.748 1.797 1.00 0.00 H new ATOM 657 N GLY A 49 -13.493 3.909 -0.710 1.00 0.00 N ATOM 658 CA GLY A 49 -12.205 4.041 -1.368 1.00 0.00 C ATOM 659 C GLY A 49 -11.259 4.577 -0.293 1.00 0.00 C ATOM 660 O GLY A 49 -11.702 5.307 0.610 1.00 0.00 O ATOM 0 H GLY A 49 -14.173 4.628 -0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.860 3.082 -1.754 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.264 4.723 -2.216 1.00 0.00 H new ATOM 664 N PHE A 50 -9.963 4.302 -0.383 1.00 0.00 N ATOM 665 CA PHE A 50 -8.977 4.736 0.603 1.00 0.00 C ATOM 666 C PHE A 50 -7.722 5.287 -0.062 1.00 0.00 C ATOM 667 O PHE A 50 -7.606 5.323 -1.286 1.00 0.00 O ATOM 668 CB PHE A 50 -8.693 3.562 1.561 1.00 0.00 C ATOM 669 CG PHE A 50 -8.229 2.281 0.891 1.00 0.00 C ATOM 670 CD1 PHE A 50 -9.170 1.401 0.321 1.00 0.00 C ATOM 671 CD2 PHE A 50 -6.859 1.965 0.829 1.00 0.00 C ATOM 672 CE1 PHE A 50 -8.742 0.249 -0.359 1.00 0.00 C ATOM 673 CE2 PHE A 50 -6.441 0.787 0.186 1.00 0.00 C ATOM 674 CZ PHE A 50 -7.376 -0.056 -0.434 1.00 0.00 C ATOM 0 H PHE A 50 -9.561 3.765 -1.151 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.374 5.566 1.187 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -7.934 3.874 2.278 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.599 3.349 2.128 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -10.225 1.613 0.407 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.130 2.626 1.274 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.466 -0.403 -0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.392 0.529 0.169 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.045 -0.935 -0.966 1.00 0.00 H new ATOM 684 N LEU A 51 -6.844 5.864 0.757 1.00 0.00 N ATOM 685 CA LEU A 51 -5.593 6.448 0.300 1.00 0.00 C ATOM 686 C LEU A 51 -4.526 5.378 0.445 1.00 0.00 C ATOM 687 O LEU A 51 -4.562 4.606 1.406 1.00 0.00 O ATOM 688 CB LEU A 51 -5.252 7.709 1.104 1.00 0.00 C ATOM 689 CG LEU A 51 -6.016 8.945 0.595 1.00 0.00 C ATOM 690 CD1 LEU A 51 -7.533 8.856 0.805 1.00 0.00 C ATOM 691 CD2 LEU A 51 -5.526 10.201 1.314 1.00 0.00 C ATOM 0 H LEU A 51 -6.986 5.938 1.764 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.665 6.765 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.490 7.544 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.180 7.897 1.046 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.820 8.989 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.007 9.760 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.924 7.989 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.748 8.755 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.074 11.068 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.693 10.095 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.461 10.337 1.124 1.00 0.00 H new ATOM 703 N THR A 52 -3.571 5.371 -0.475 1.00 0.00 N ATOM 704 CA THR A 52 -2.488 4.410 -0.530 1.00 0.00 C ATOM 705 C THR A 52 -1.173 5.140 -0.781 1.00 0.00 C ATOM 706 O THR A 52 -0.922 5.570 -1.909 1.00 0.00 O ATOM 707 CB THR A 52 -2.808 3.403 -1.657 1.00 0.00 C ATOM 708 OG1 THR A 52 -3.138 4.071 -2.868 1.00 0.00 O ATOM 709 CG2 THR A 52 -3.999 2.515 -1.303 1.00 0.00 C ATOM 0 H THR A 52 -3.531 6.059 -1.227 1.00 0.00 H new ATOM 0 HA THR A 52 -2.387 3.871 0.412 1.00 0.00 H new ATOM 0 HB THR A 52 -1.909 2.799 -1.779 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.525 4.823 -3.004 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.191 1.821 -2.121 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.777 1.953 -0.396 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.880 3.136 -1.139 1.00 0.00 H new ATOM 717 N GLN A 53 -0.342 5.314 0.247 1.00 0.00 N ATOM 718 CA GLN A 53 0.953 5.976 0.138 1.00 0.00 C ATOM 719 C GLN A 53 1.931 5.201 1.020 1.00 0.00 C ATOM 720 O GLN A 53 1.522 4.577 1.997 1.00 0.00 O ATOM 721 CB GLN A 53 0.824 7.467 0.510 1.00 0.00 C ATOM 722 CG GLN A 53 2.117 8.305 0.428 1.00 0.00 C ATOM 723 CD GLN A 53 2.810 8.264 -0.938 1.00 0.00 C ATOM 724 OE1 GLN A 53 3.289 7.220 -1.383 1.00 0.00 O ATOM 725 NE2 GLN A 53 2.920 9.388 -1.622 1.00 0.00 N ATOM 0 H GLN A 53 -0.555 4.993 1.192 1.00 0.00 H new ATOM 0 HA GLN A 53 1.332 5.969 -0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.080 7.920 -0.145 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.436 7.534 1.527 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.881 9.341 0.671 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.814 7.950 1.187 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.523 10.251 -1.252 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.402 9.393 -2.521 1.00 0.00 H new ATOM 734 N ASN A 54 3.222 5.230 0.679 1.00 0.00 N ATOM 735 CA ASN A 54 4.329 4.557 1.372 1.00 0.00 C ATOM 736 C ASN A 54 4.110 3.049 1.587 1.00 0.00 C ATOM 737 O ASN A 54 4.819 2.455 2.401 1.00 0.00 O ATOM 738 CB ASN A 54 4.667 5.229 2.719 1.00 0.00 C ATOM 739 CG ASN A 54 4.824 6.736 2.706 1.00 0.00 C ATOM 740 OD1 ASN A 54 4.247 7.422 3.545 1.00 0.00 O ATOM 741 ND2 ASN A 54 5.595 7.298 1.792 1.00 0.00 N ATOM 0 H ASN A 54 3.544 5.754 -0.135 1.00 0.00 H new ATOM 0 HA ASN A 54 5.176 4.665 0.695 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.883 4.974 3.433 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.593 4.793 3.094 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.715 8.311 1.779 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.070 6.719 1.099 1.00 0.00 H new ATOM 748 N LYS A 55 3.172 2.430 0.861 1.00 0.00 N ATOM 749 CA LYS A 55 2.748 1.018 0.891 1.00 0.00 C ATOM 750 C LYS A 55 1.669 0.757 1.950 1.00 0.00 C ATOM 751 O LYS A 55 1.238 -0.394 2.091 1.00 0.00 O ATOM 752 CB LYS A 55 3.904 0.004 1.003 1.00 0.00 C ATOM 753 CG LYS A 55 4.871 0.095 -0.180 1.00 0.00 C ATOM 754 CD LYS A 55 5.696 -1.189 -0.271 1.00 0.00 C ATOM 755 CE LYS A 55 6.724 -1.066 -1.391 1.00 0.00 C ATOM 756 NZ LYS A 55 7.530 -2.291 -1.519 1.00 0.00 N ATOM 0 H LYS A 55 2.636 2.953 0.169 1.00 0.00 H new ATOM 0 HA LYS A 55 2.306 0.846 -0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.450 0.179 1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.496 -1.005 1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.316 0.248 -1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.530 0.954 -0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.199 -1.376 0.678 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.041 -2.040 -0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.215 -0.864 -2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.379 -0.217 -1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.219 -2.174 -2.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.034 -2.469 -0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.907 -3.096 -1.731 1.00 0.00 H new ATOM 770 N GLU A 56 1.249 1.774 2.695 1.00 0.00 N ATOM 771 CA GLU A 56 0.219 1.701 3.724 1.00 0.00 C ATOM 772 C GLU A 56 -1.154 1.971 3.098 1.00 0.00 C ATOM 773 O GLU A 56 -1.274 2.173 1.880 1.00 0.00 O ATOM 774 CB GLU A 56 0.531 2.743 4.820 1.00 0.00 C ATOM 775 CG GLU A 56 1.504 2.217 5.876 1.00 0.00 C ATOM 776 CD GLU A 56 0.942 1.025 6.658 1.00 0.00 C ATOM 777 OE1 GLU A 56 -0.300 0.899 6.788 1.00 0.00 O ATOM 778 OE2 GLU A 56 1.773 0.202 7.107 1.00 0.00 O ATOM 0 H GLU A 56 1.635 2.713 2.593 1.00 0.00 H new ATOM 0 HA GLU A 56 0.205 0.707 4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.952 3.636 4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.398 3.043 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.435 1.922 5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.748 3.020 6.572 1.00 0.00 H new ATOM 785 N ILE A 57 -2.181 1.951 3.949 1.00 0.00 N ATOM 786 CA ILE A 57 -3.583 2.191 3.650 1.00 0.00 C ATOM 787 C ILE A 57 -4.085 3.196 4.693 1.00 0.00 C ATOM 788 O ILE A 57 -3.786 3.042 5.881 1.00 0.00 O ATOM 789 CB ILE A 57 -4.397 0.871 3.679 1.00 0.00 C ATOM 790 CG1 ILE A 57 -4.480 0.217 5.085 1.00 0.00 C ATOM 791 CG2 ILE A 57 -3.834 -0.121 2.647 1.00 0.00 C ATOM 792 CD1 ILE A 57 -5.429 -0.975 5.166 1.00 0.00 C ATOM 0 H ILE A 57 -2.037 1.751 4.939 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.708 2.592 2.644 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.421 1.134 3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.482 -0.106 5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.799 0.970 5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.413 -1.044 2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.897 0.316 1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.792 -0.339 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.428 -1.373 6.181 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.437 -0.656 4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.101 -1.749 4.473 1.00 0.00 H new ATOM 804 N PHE A 58 -4.853 4.221 4.314 1.00 0.00 N ATOM 805 CA PHE A 58 -5.352 5.177 5.299 1.00 0.00 C ATOM 806 C PHE A 58 -6.709 5.762 4.933 1.00 0.00 C ATOM 807 O PHE A 58 -7.149 5.773 3.783 1.00 0.00 O ATOM 808 CB PHE A 58 -4.366 6.323 5.532 1.00 0.00 C ATOM 809 CG PHE A 58 -3.014 5.956 6.129 1.00 0.00 C ATOM 810 CD1 PHE A 58 -2.915 5.561 7.481 1.00 0.00 C ATOM 811 CD2 PHE A 58 -1.845 6.034 5.347 1.00 0.00 C ATOM 812 CE1 PHE A 58 -1.666 5.227 8.037 1.00 0.00 C ATOM 813 CE2 PHE A 58 -0.594 5.735 5.913 1.00 0.00 C ATOM 814 CZ PHE A 58 -0.507 5.313 7.251 1.00 0.00 C ATOM 0 H PHE A 58 -5.137 4.406 3.352 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.466 4.600 6.217 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.192 6.821 4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.841 7.051 6.189 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.804 5.515 8.093 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.910 6.325 4.309 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.600 4.905 9.066 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.303 5.830 5.319 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.453 5.055 7.674 1.00 0.00 H new ATOM 824 N CYS A 59 -7.397 6.237 5.977 1.00 0.00 N ATOM 825 CA CYS A 59 -8.705 6.864 5.823 1.00 0.00 C ATOM 826 C CYS A 59 -8.417 8.250 5.205 1.00 0.00 C ATOM 827 O CYS A 59 -7.380 8.847 5.516 1.00 0.00 O ATOM 828 CB CYS A 59 -9.433 7.057 7.185 1.00 0.00 C ATOM 829 SG CYS A 59 -9.136 8.643 7.937 1.00 0.00 S ATOM 0 H CYS A 59 -7.064 6.197 6.940 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.355 6.239 5.210 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.505 6.931 7.035 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.113 6.273 7.872 1.00 0.00 H new ATOM 0 HG CYS A 59 -9.781 8.717 9.063 1.00 0.00 H new ATOM 834 N GLN A 60 -9.364 8.840 4.473 1.00 0.00 N ATOM 835 CA GLN A 60 -9.150 10.162 3.884 1.00 0.00 C ATOM 836 C GLN A 60 -9.029 11.239 4.979 1.00 0.00 C ATOM 837 O GLN A 60 -8.134 12.063 4.900 1.00 0.00 O ATOM 838 CB GLN A 60 -10.241 10.433 2.843 1.00 0.00 C ATOM 839 CG GLN A 60 -9.907 11.604 1.901 1.00 0.00 C ATOM 840 CD GLN A 60 -10.358 12.987 2.392 1.00 0.00 C ATOM 841 OE1 GLN A 60 -10.855 13.158 3.507 1.00 0.00 O ATOM 842 NE2 GLN A 60 -10.212 14.010 1.573 1.00 0.00 N ATOM 0 H GLN A 60 -10.276 8.429 4.276 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.198 10.196 3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.399 9.532 2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.179 10.645 3.357 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.829 11.626 1.743 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.367 11.412 0.932 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.801 13.870 0.650 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.510 14.942 1.862 1.00 0.00 H new ATOM 851 N LYS A 61 -9.812 11.162 6.067 1.00 0.00 N ATOM 852 CA LYS A 61 -9.791 12.108 7.201 1.00 0.00 C ATOM 853 C LYS A 61 -8.396 12.296 7.833 1.00 0.00 C ATOM 854 O LYS A 61 -8.142 13.278 8.522 1.00 0.00 O ATOM 855 CB LYS A 61 -10.775 11.598 8.277 1.00 0.00 C ATOM 856 CG LYS A 61 -11.256 12.669 9.258 1.00 0.00 C ATOM 857 CD LYS A 61 -12.196 12.066 10.325 1.00 0.00 C ATOM 858 CE LYS A 61 -13.397 12.962 10.657 1.00 0.00 C ATOM 859 NZ LYS A 61 -14.638 12.533 9.978 1.00 0.00 N ATOM 0 H LYS A 61 -10.499 10.418 6.188 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.082 13.084 6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.642 11.163 7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.295 10.798 8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.398 13.132 9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.777 13.457 8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.559 11.100 9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.627 11.881 11.236 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.559 12.960 11.735 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.168 13.989 10.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.415 13.173 10.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.497 12.560 8.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.876 11.563 10.269 1.00 0.00 H new ATOM 873 N CYS A 62 -7.545 11.273 7.714 1.00 0.00 N ATOM 874 CA CYS A 62 -6.182 11.221 8.232 1.00 0.00 C ATOM 875 C CYS A 62 -5.202 11.585 7.107 1.00 0.00 C ATOM 876 O CYS A 62 -4.342 12.443 7.314 1.00 0.00 O ATOM 877 CB CYS A 62 -5.927 9.880 8.981 1.00 0.00 C ATOM 878 SG CYS A 62 -6.427 10.035 10.699 1.00 0.00 S ATOM 0 H CYS A 62 -7.806 10.415 7.227 1.00 0.00 H new ATOM 0 HA CYS A 62 -6.013 11.971 9.005 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.484 9.074 8.502 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.871 9.616 8.923 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.414 8.863 11.262 1.00 0.00 H new ATOM 883 N GLY A 63 -5.372 11.039 5.899 1.00 0.00 N ATOM 884 CA GLY A 63 -4.497 11.308 4.759 1.00 0.00 C ATOM 885 C GLY A 63 -4.824 12.573 3.963 1.00 0.00 C ATOM 886 O GLY A 63 -4.329 12.735 2.847 1.00 0.00 O ATOM 0 H GLY A 63 -6.130 10.391 5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.471 11.382 5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.537 10.454 4.083 1.00 0.00 H new ATOM 890 N SER A 64 -5.695 13.445 4.467 1.00 0.00 N ATOM 891 CA SER A 64 -6.060 14.683 3.803 1.00 0.00 C ATOM 892 C SER A 64 -4.801 15.541 3.647 1.00 0.00 C ATOM 893 O SER A 64 -3.867 15.430 4.443 1.00 0.00 O ATOM 894 CB SER A 64 -7.158 15.403 4.609 1.00 0.00 C ATOM 895 OG SER A 64 -7.139 15.100 6.002 1.00 0.00 O ATOM 0 H SER A 64 -6.170 13.305 5.359 1.00 0.00 H new ATOM 0 HA SER A 64 -6.467 14.486 2.811 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.045 16.479 4.479 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.132 15.133 4.201 1.00 0.00 H new ATOM 0 HG SER A 64 -7.858 15.589 6.453 1.00 0.00 H new