USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 420 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 9 ASN : amide:sc= 0.047 K(o=1.2,f=-5.2!) USER MOD Set 1.2: A 14 LYS NZ :NH3+ -174:sc= 1.18 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.033 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 171:sc= 0.191 (180deg=0.0229) USER MOD Single : A 11 LYS NZ :NH3+ 126:sc= 1.29 (180deg=-0.0783) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -132:sc= 0.713 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00444) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 38 ASN : amide:sc= 0.0142 X(o=0.014,f=0.29) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 51 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00942) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.105 2.349 3.475 1.00 0.00 N ATOM 2 CA MET A 1 -15.718 2.647 3.090 1.00 0.00 C ATOM 3 C MET A 1 -14.842 1.426 3.327 1.00 0.00 C ATOM 4 O MET A 1 -15.044 0.691 4.294 1.00 0.00 O ATOM 5 CB MET A 1 -15.185 3.899 3.790 1.00 0.00 C ATOM 6 CG MET A 1 -13.906 4.358 3.094 1.00 0.00 C ATOM 7 SD MET A 1 -13.376 6.035 3.498 1.00 0.00 S ATOM 8 CE MET A 1 -14.491 6.954 2.413 1.00 0.00 C ATOM 0 H1 MET A 1 -17.517 3.174 3.956 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.662 2.131 2.624 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.119 1.531 4.117 1.00 0.00 H new ATOM 0 HA MET A 1 -15.694 2.875 2.024 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.933 4.692 3.762 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.985 3.686 4.840 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.103 3.668 3.351 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.052 4.289 2.016 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.309 8.023 2.526 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.313 6.663 1.378 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.524 6.732 2.680 1.00 0.00 H new ATOM 18 N GLY A 2 -13.888 1.181 2.430 1.00 0.00 N ATOM 19 CA GLY A 2 -12.966 0.068 2.484 1.00 0.00 C ATOM 20 C GLY A 2 -11.717 0.446 3.261 1.00 0.00 C ATOM 21 O GLY A 2 -11.047 1.417 2.910 1.00 0.00 O ATOM 0 H GLY A 2 -13.738 1.780 1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.449 -0.788 2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -12.694 -0.235 1.473 1.00 0.00 H new ATOM 25 N THR A 3 -11.360 -0.322 4.283 1.00 0.00 N ATOM 26 CA THR A 3 -10.171 -0.055 5.078 1.00 0.00 C ATOM 27 C THR A 3 -9.090 -0.921 4.449 1.00 0.00 C ATOM 28 O THR A 3 -9.084 -2.143 4.619 1.00 0.00 O ATOM 29 CB THR A 3 -10.441 -0.343 6.557 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.463 0.543 6.961 1.00 0.00 O ATOM 31 CG2 THR A 3 -9.197 -0.101 7.422 1.00 0.00 C ATOM 0 H THR A 3 -11.885 -1.144 4.582 1.00 0.00 H new ATOM 0 HA THR A 3 -9.857 0.989 5.071 1.00 0.00 H new ATOM 0 HB THR A 3 -10.724 -1.388 6.682 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.671 0.393 7.907 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.431 -0.317 8.464 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.390 -0.753 7.089 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.885 0.939 7.328 1.00 0.00 H new ATOM 39 N TYR A 4 -8.158 -0.276 3.747 1.00 0.00 N ATOM 40 CA TYR A 4 -7.086 -0.958 3.053 1.00 0.00 C ATOM 41 C TYR A 4 -5.879 -1.023 3.970 1.00 0.00 C ATOM 42 O TYR A 4 -5.466 -0.038 4.597 1.00 0.00 O ATOM 43 CB TYR A 4 -6.723 -0.215 1.760 1.00 0.00 C ATOM 44 CG TYR A 4 -7.700 -0.429 0.622 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.837 0.393 0.484 1.00 0.00 C ATOM 46 CD2 TYR A 4 -7.466 -1.464 -0.302 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.742 0.177 -0.571 1.00 0.00 C ATOM 48 CE2 TYR A 4 -8.356 -1.674 -1.367 1.00 0.00 C ATOM 49 CZ TYR A 4 -9.501 -0.860 -1.502 1.00 0.00 C ATOM 50 OH TYR A 4 -10.386 -1.132 -2.494 1.00 0.00 O ATOM 0 H TYR A 4 -8.133 0.739 3.649 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.408 -1.965 2.787 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.660 0.852 1.973 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.732 -0.534 1.437 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -9.014 1.191 1.190 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.599 -2.099 -0.192 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -10.618 0.801 -0.670 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -8.164 -2.459 -2.084 1.00 0.00 H new ATOM 0 HH TYR A 4 -10.051 -1.876 -3.036 1.00 0.00 H new ATOM 60 N LYS A 5 -5.368 -2.243 4.075 1.00 0.00 N ATOM 61 CA LYS A 5 -4.226 -2.617 4.871 1.00 0.00 C ATOM 62 C LYS A 5 -3.005 -2.486 3.969 1.00 0.00 C ATOM 63 O LYS A 5 -2.900 -3.202 2.974 1.00 0.00 O ATOM 64 CB LYS A 5 -4.475 -4.043 5.374 1.00 0.00 C ATOM 65 CG LYS A 5 -3.469 -4.384 6.459 1.00 0.00 C ATOM 66 CD LYS A 5 -3.664 -5.803 6.992 1.00 0.00 C ATOM 67 CE LYS A 5 -2.423 -6.216 7.776 1.00 0.00 C ATOM 68 NZ LYS A 5 -2.166 -5.371 8.959 1.00 0.00 N ATOM 0 H LYS A 5 -5.769 -3.037 3.575 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.061 -1.989 5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.489 -4.130 5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.389 -4.750 4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.459 -4.281 6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.564 -3.672 7.279 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.545 -5.846 7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.835 -6.494 6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.533 -7.252 8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.556 -6.177 7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.405 -5.793 9.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.881 -4.420 8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.031 -5.304 9.532 1.00 0.00 H new ATOM 82 N LEU A 6 -2.138 -1.522 4.249 1.00 0.00 N ATOM 83 CA LEU A 6 -0.932 -1.264 3.477 1.00 0.00 C ATOM 84 C LEU A 6 0.225 -2.073 4.059 1.00 0.00 C ATOM 85 O LEU A 6 0.384 -2.091 5.281 1.00 0.00 O ATOM 86 CB LEU A 6 -0.588 0.231 3.601 1.00 0.00 C ATOM 87 CG LEU A 6 0.200 0.846 2.428 1.00 0.00 C ATOM 88 CD1 LEU A 6 0.788 2.183 2.885 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.360 0.015 1.888 1.00 0.00 C ATOM 0 H LEU A 6 -2.257 -0.885 5.036 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.092 -1.541 2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.517 0.788 3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.011 0.376 4.515 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.526 0.926 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.350 2.632 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.019 2.853 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.453 2.017 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.838 0.548 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.087 -0.155 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.985 -0.943 1.529 1.00 0.00 H new ATOM 101 N ILE A 7 1.019 -2.732 3.218 1.00 0.00 N ATOM 102 CA ILE A 7 2.193 -3.499 3.611 1.00 0.00 C ATOM 103 C ILE A 7 3.303 -3.058 2.643 1.00 0.00 C ATOM 104 O ILE A 7 3.115 -3.059 1.425 1.00 0.00 O ATOM 105 CB ILE A 7 1.944 -5.026 3.657 1.00 0.00 C ATOM 106 CG1 ILE A 7 0.830 -5.451 4.644 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.244 -5.724 4.092 1.00 0.00 C ATOM 108 CD1 ILE A 7 -0.544 -5.575 3.981 1.00 0.00 C ATOM 0 H ILE A 7 0.855 -2.746 2.211 1.00 0.00 H new ATOM 0 HA ILE A 7 2.483 -3.294 4.641 1.00 0.00 H new ATOM 0 HB ILE A 7 1.623 -5.316 2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.097 -6.407 5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.772 -4.723 5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.084 -6.802 4.129 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.035 -5.499 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.536 -5.367 5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.281 -5.876 4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.830 -4.614 3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.500 -6.324 3.190 1.00 0.00 H new ATOM 120 N LEU A 8 4.405 -2.558 3.194 1.00 0.00 N ATOM 121 CA LEU A 8 5.598 -2.082 2.502 1.00 0.00 C ATOM 122 C LEU A 8 6.587 -3.239 2.541 1.00 0.00 C ATOM 123 O LEU A 8 6.975 -3.646 3.634 1.00 0.00 O ATOM 124 CB LEU A 8 6.219 -0.886 3.269 1.00 0.00 C ATOM 125 CG LEU A 8 6.004 0.524 2.700 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.527 0.859 2.530 1.00 0.00 C ATOM 127 CD2 LEU A 8 6.655 1.539 3.651 1.00 0.00 C ATOM 0 H LEU A 8 4.494 -2.469 4.206 1.00 0.00 H new ATOM 0 HA LEU A 8 5.361 -1.761 1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.825 -0.900 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.293 -1.057 3.341 1.00 0.00 H new ATOM 0 HG LEU A 8 6.460 0.566 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.427 1.866 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.068 0.145 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.028 0.806 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.511 2.547 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.195 1.462 4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.722 1.330 3.732 1.00 0.00 H new ATOM 139 N ASN A 9 7.012 -3.765 1.395 1.00 0.00 N ATOM 140 CA ASN A 9 7.976 -4.855 1.320 1.00 0.00 C ATOM 141 C ASN A 9 9.094 -4.367 0.396 1.00 0.00 C ATOM 142 O ASN A 9 9.110 -4.664 -0.800 1.00 0.00 O ATOM 143 CB ASN A 9 7.295 -6.159 0.871 1.00 0.00 C ATOM 144 CG ASN A 9 8.228 -7.357 0.992 1.00 0.00 C ATOM 145 OD1 ASN A 9 7.949 -8.309 1.712 1.00 0.00 O ATOM 146 ND2 ASN A 9 9.365 -7.348 0.330 1.00 0.00 N ATOM 0 H ASN A 9 6.692 -3.441 0.482 1.00 0.00 H new ATOM 0 HA ASN A 9 8.405 -5.107 2.290 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.404 -6.330 1.475 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.965 -6.059 -0.163 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.012 -8.132 0.417 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.600 -6.557 -0.270 1.00 0.00 H new ATOM 153 N GLY A 10 9.996 -3.556 0.955 1.00 0.00 N ATOM 154 CA GLY A 10 11.129 -2.975 0.251 1.00 0.00 C ATOM 155 C GLY A 10 12.336 -3.901 0.249 1.00 0.00 C ATOM 156 O GLY A 10 12.205 -5.096 0.517 1.00 0.00 O ATOM 0 H GLY A 10 9.952 -3.282 1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.842 -2.752 -0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.399 -2.028 0.719 1.00 0.00 H new ATOM 160 N LYS A 11 13.490 -3.354 -0.154 1.00 0.00 N ATOM 161 CA LYS A 11 14.772 -4.065 -0.218 1.00 0.00 C ATOM 162 C LYS A 11 15.659 -3.788 0.988 1.00 0.00 C ATOM 163 O LYS A 11 16.589 -4.552 1.249 1.00 0.00 O ATOM 164 CB LYS A 11 15.546 -3.714 -1.506 1.00 0.00 C ATOM 165 CG LYS A 11 15.920 -2.222 -1.653 1.00 0.00 C ATOM 166 CD LYS A 11 14.992 -1.516 -2.644 1.00 0.00 C ATOM 167 CE LYS A 11 15.223 0.000 -2.642 1.00 0.00 C ATOM 168 NZ LYS A 11 14.526 0.644 -3.773 1.00 0.00 N ATOM 0 H LYS A 11 13.559 -2.381 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 11 14.522 -5.126 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.460 -4.308 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.945 -4.009 -2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.860 -1.732 -0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.952 -2.134 -1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.160 -1.910 -3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.954 -1.728 -2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.868 0.424 -1.703 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.291 0.209 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.916 1.407 -3.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.226 1.041 -4.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.944 -0.061 -4.269 1.00 0.00 H new ATOM 182 N THR A 12 15.386 -2.718 1.725 1.00 0.00 N ATOM 183 CA THR A 12 16.172 -2.313 2.879 1.00 0.00 C ATOM 184 C THR A 12 15.364 -2.392 4.168 1.00 0.00 C ATOM 185 O THR A 12 15.952 -2.624 5.229 1.00 0.00 O ATOM 186 CB THR A 12 16.679 -0.890 2.578 1.00 0.00 C ATOM 187 OG1 THR A 12 17.525 -0.942 1.445 1.00 0.00 O ATOM 188 CG2 THR A 12 17.455 -0.237 3.721 1.00 0.00 C ATOM 0 H THR A 12 14.599 -2.099 1.532 1.00 0.00 H new ATOM 0 HA THR A 12 17.014 -2.986 3.041 1.00 0.00 H new ATOM 0 HB THR A 12 15.791 -0.280 2.415 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.854 -0.042 1.241 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.773 0.761 3.421 1.00 0.00 H new ATOM 0 HG22 THR A 12 16.815 -0.165 4.601 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.331 -0.841 3.958 1.00 0.00 H new ATOM 196 N LEU A 13 14.059 -2.120 4.090 1.00 0.00 N ATOM 197 CA LEU A 13 13.120 -2.130 5.198 1.00 0.00 C ATOM 198 C LEU A 13 11.736 -2.568 4.724 1.00 0.00 C ATOM 199 O LEU A 13 11.460 -2.610 3.519 1.00 0.00 O ATOM 200 CB LEU A 13 13.085 -0.738 5.878 1.00 0.00 C ATOM 201 CG LEU A 13 12.444 0.465 5.136 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.934 0.634 3.694 1.00 0.00 C ATOM 203 CD2 LEU A 13 10.912 0.457 5.140 1.00 0.00 C ATOM 0 H LEU A 13 13.614 -1.876 3.206 1.00 0.00 H new ATOM 0 HA LEU A 13 13.451 -2.855 5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.561 -0.852 6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.114 -0.465 6.113 1.00 0.00 H new ATOM 0 HG LEU A 13 12.784 1.318 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.442 1.495 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.013 0.790 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.697 -0.263 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.542 1.330 4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.552 -0.449 4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.551 0.485 6.168 1.00 0.00 H new ATOM 215 N LYS A 14 10.851 -2.843 5.682 1.00 0.00 N ATOM 216 CA LYS A 14 9.463 -3.244 5.481 1.00 0.00 C ATOM 217 C LYS A 14 8.599 -2.388 6.411 1.00 0.00 C ATOM 218 O LYS A 14 9.130 -1.778 7.347 1.00 0.00 O ATOM 219 CB LYS A 14 9.273 -4.758 5.698 1.00 0.00 C ATOM 220 CG LYS A 14 10.128 -5.584 4.720 1.00 0.00 C ATOM 221 CD LYS A 14 9.632 -7.026 4.570 1.00 0.00 C ATOM 222 CE LYS A 14 10.610 -7.801 3.680 1.00 0.00 C ATOM 223 NZ LYS A 14 10.112 -9.139 3.292 1.00 0.00 N ATOM 0 H LYS A 14 11.098 -2.789 6.670 1.00 0.00 H new ATOM 0 HA LYS A 14 9.156 -3.071 4.450 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.541 -5.015 6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.222 -5.015 5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.125 -5.100 3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.161 -5.594 5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.556 -7.501 5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.634 -7.037 4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.810 -7.220 2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.559 -7.912 4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.857 -9.651 2.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.850 -9.673 4.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.278 -9.035 2.679 1.00 0.00 H new ATOM 237 N GLY A 15 7.292 -2.321 6.171 1.00 0.00 N ATOM 238 CA GLY A 15 6.364 -1.530 6.969 1.00 0.00 C ATOM 239 C GLY A 15 4.942 -2.061 6.850 1.00 0.00 C ATOM 240 O GLY A 15 4.651 -2.897 5.994 1.00 0.00 O ATOM 0 H GLY A 15 6.843 -2.823 5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.674 -1.546 8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.395 -0.490 6.643 1.00 0.00 H new ATOM 244 N GLU A 16 4.031 -1.555 7.680 1.00 0.00 N ATOM 245 CA GLU A 16 2.635 -1.968 7.706 1.00 0.00 C ATOM 246 C GLU A 16 1.796 -0.815 8.286 1.00 0.00 C ATOM 247 O GLU A 16 2.010 -0.435 9.440 1.00 0.00 O ATOM 248 CB GLU A 16 2.559 -3.264 8.541 1.00 0.00 C ATOM 249 CG GLU A 16 1.130 -3.772 8.694 1.00 0.00 C ATOM 250 CD GLU A 16 0.997 -4.909 9.702 1.00 0.00 C ATOM 251 OE1 GLU A 16 1.043 -4.656 10.928 1.00 0.00 O ATOM 252 OE2 GLU A 16 0.669 -6.046 9.294 1.00 0.00 O ATOM 0 H GLU A 16 4.250 -0.832 8.366 1.00 0.00 H new ATOM 0 HA GLU A 16 2.234 -2.181 6.715 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.167 -4.035 8.067 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.985 -3.083 9.528 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.489 -2.946 9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.767 -4.112 7.724 1.00 0.00 H new ATOM 259 N THR A 17 0.835 -0.266 7.536 1.00 0.00 N ATOM 260 CA THR A 17 -0.038 0.851 7.940 1.00 0.00 C ATOM 261 C THR A 17 -1.496 0.606 7.485 1.00 0.00 C ATOM 262 O THR A 17 -1.784 -0.421 6.861 1.00 0.00 O ATOM 263 CB THR A 17 0.570 2.180 7.429 1.00 0.00 C ATOM 264 OG1 THR A 17 1.163 2.053 6.151 1.00 0.00 O ATOM 265 CG2 THR A 17 1.660 2.703 8.369 1.00 0.00 C ATOM 0 H THR A 17 0.633 -0.598 6.593 1.00 0.00 H new ATOM 0 HA THR A 17 -0.089 0.921 9.027 1.00 0.00 H new ATOM 0 HB THR A 17 -0.271 2.871 7.383 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.056 2.457 6.163 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.062 3.637 7.976 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.235 2.878 9.357 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.460 1.967 8.444 1.00 0.00 H new ATOM 273 N THR A 18 -2.442 1.506 7.791 1.00 0.00 N ATOM 274 CA THR A 18 -3.852 1.366 7.409 1.00 0.00 C ATOM 275 C THR A 18 -4.436 2.705 6.958 1.00 0.00 C ATOM 276 O THR A 18 -4.126 3.743 7.536 1.00 0.00 O ATOM 277 CB THR A 18 -4.673 0.872 8.625 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.270 1.486 9.841 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.565 -0.637 8.843 1.00 0.00 C ATOM 0 H THR A 18 -2.246 2.359 8.315 1.00 0.00 H new ATOM 0 HA THR A 18 -3.905 0.652 6.587 1.00 0.00 H new ATOM 0 HB THR A 18 -5.699 1.146 8.378 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.818 1.143 10.578 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.162 -0.923 9.709 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.933 -1.159 7.960 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.523 -0.906 9.015 1.00 0.00 H new ATOM 287 N THR A 19 -5.221 2.734 5.875 1.00 0.00 N ATOM 288 CA THR A 19 -5.883 3.950 5.398 1.00 0.00 C ATOM 289 C THR A 19 -7.207 3.528 4.745 1.00 0.00 C ATOM 290 O THR A 19 -7.239 2.533 4.015 1.00 0.00 O ATOM 291 CB THR A 19 -4.961 4.794 4.505 1.00 0.00 C ATOM 292 OG1 THR A 19 -3.696 4.957 5.121 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.522 6.191 4.261 1.00 0.00 C ATOM 0 H THR A 19 -5.415 1.911 5.304 1.00 0.00 H new ATOM 0 HA THR A 19 -6.113 4.624 6.223 1.00 0.00 H new ATOM 0 HB THR A 19 -4.878 4.261 3.558 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.117 5.495 4.542 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.837 6.752 3.625 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.492 6.113 3.770 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.638 6.708 5.214 1.00 0.00 H new ATOM 301 N GLU A 20 -8.301 4.250 4.989 1.00 0.00 N ATOM 302 CA GLU A 20 -9.611 3.935 4.428 1.00 0.00 C ATOM 303 C GLU A 20 -9.888 4.754 3.161 1.00 0.00 C ATOM 304 O GLU A 20 -9.497 5.920 3.063 1.00 0.00 O ATOM 305 CB GLU A 20 -10.686 4.047 5.523 1.00 0.00 C ATOM 306 CG GLU A 20 -10.757 5.406 6.235 1.00 0.00 C ATOM 307 CD GLU A 20 -11.711 5.348 7.429 1.00 0.00 C ATOM 308 OE1 GLU A 20 -11.302 4.906 8.525 1.00 0.00 O ATOM 309 OE2 GLU A 20 -12.895 5.734 7.292 1.00 0.00 O ATOM 0 H GLU A 20 -8.301 5.076 5.587 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.634 2.900 4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.658 3.837 5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.504 3.273 6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.762 5.696 6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.091 6.171 5.534 1.00 0.00 H new ATOM 316 N ALA A 21 -10.527 4.123 2.169 1.00 0.00 N ATOM 317 CA ALA A 21 -10.884 4.704 0.883 1.00 0.00 C ATOM 318 C ALA A 21 -12.072 3.973 0.257 1.00 0.00 C ATOM 319 O ALA A 21 -12.389 2.845 0.634 1.00 0.00 O ATOM 320 CB ALA A 21 -9.684 4.597 -0.063 1.00 0.00 C ATOM 0 H ALA A 21 -10.820 3.149 2.251 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.161 5.746 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.943 5.030 -1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.837 5.136 0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.417 3.548 -0.195 1.00 0.00 H new ATOM 326 N VAL A 22 -12.739 4.615 -0.703 1.00 0.00 N ATOM 327 CA VAL A 22 -13.874 4.012 -1.394 1.00 0.00 C ATOM 328 C VAL A 22 -13.379 2.913 -2.337 1.00 0.00 C ATOM 329 O VAL A 22 -14.015 1.865 -2.419 1.00 0.00 O ATOM 330 CB VAL A 22 -14.710 5.086 -2.126 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.911 5.867 -3.184 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.966 4.494 -2.784 1.00 0.00 C ATOM 0 H VAL A 22 -12.509 5.557 -1.019 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.538 3.550 -0.664 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.006 5.784 -1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.559 6.604 -3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.073 6.375 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.534 5.176 -3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.521 5.286 -3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.673 3.738 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.596 4.037 -2.021 1.00 0.00 H new ATOM 342 N ASP A 23 -12.248 3.113 -3.020 1.00 0.00 N ATOM 343 CA ASP A 23 -11.679 2.163 -3.968 1.00 0.00 C ATOM 344 C ASP A 23 -10.165 2.172 -3.849 1.00 0.00 C ATOM 345 O ASP A 23 -9.572 3.146 -3.363 1.00 0.00 O ATOM 346 CB ASP A 23 -12.069 2.549 -5.407 1.00 0.00 C ATOM 347 CG ASP A 23 -13.533 2.254 -5.715 1.00 0.00 C ATOM 348 OD1 ASP A 23 -13.921 1.062 -5.701 1.00 0.00 O ATOM 349 OD2 ASP A 23 -14.284 3.225 -5.960 1.00 0.00 O ATOM 0 H ASP A 23 -11.692 3.963 -2.923 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.066 1.169 -3.743 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.876 3.611 -5.560 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.437 2.006 -6.109 1.00 0.00 H new ATOM 354 N ALA A 24 -9.548 1.109 -4.366 1.00 0.00 N ATOM 355 CA ALA A 24 -8.107 0.922 -4.357 1.00 0.00 C ATOM 356 C ALA A 24 -7.381 2.053 -5.088 1.00 0.00 C ATOM 357 O ALA A 24 -6.265 2.384 -4.706 1.00 0.00 O ATOM 358 CB ALA A 24 -7.769 -0.435 -4.975 1.00 0.00 C ATOM 0 H ALA A 24 -10.051 0.341 -4.811 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.762 0.945 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.688 -0.578 -4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.243 -1.227 -4.395 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.134 -0.469 -6.001 1.00 0.00 H new ATOM 364 N ALA A 25 -8.007 2.707 -6.071 1.00 0.00 N ATOM 365 CA ALA A 25 -7.378 3.795 -6.805 1.00 0.00 C ATOM 366 C ALA A 25 -6.974 4.941 -5.870 1.00 0.00 C ATOM 367 O ALA A 25 -5.889 5.504 -6.019 1.00 0.00 O ATOM 368 CB ALA A 25 -8.313 4.276 -7.912 1.00 0.00 C ATOM 0 H ALA A 25 -8.957 2.495 -6.374 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.460 3.425 -7.262 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.839 5.091 -8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.522 3.453 -8.595 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.246 4.629 -7.473 1.00 0.00 H new ATOM 374 N THR A 26 -7.845 5.325 -4.932 1.00 0.00 N ATOM 375 CA THR A 26 -7.538 6.390 -3.984 1.00 0.00 C ATOM 376 C THR A 26 -6.463 5.879 -3.015 1.00 0.00 C ATOM 377 O THR A 26 -5.565 6.633 -2.634 1.00 0.00 O ATOM 378 CB THR A 26 -8.815 6.790 -3.231 1.00 0.00 C ATOM 379 OG1 THR A 26 -9.864 7.096 -4.133 1.00 0.00 O ATOM 380 CG2 THR A 26 -8.600 7.971 -2.276 1.00 0.00 C ATOM 0 H THR A 26 -8.769 4.911 -4.812 1.00 0.00 H new ATOM 0 HA THR A 26 -7.162 7.272 -4.502 1.00 0.00 H new ATOM 0 HB THR A 26 -9.091 5.924 -2.629 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.666 7.346 -3.629 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.538 8.207 -1.773 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.847 7.706 -1.534 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.263 8.840 -2.842 1.00 0.00 H new ATOM 388 N ALA A 27 -6.562 4.607 -2.607 1.00 0.00 N ATOM 389 CA ALA A 27 -5.621 3.976 -1.699 1.00 0.00 C ATOM 390 C ALA A 27 -4.214 4.059 -2.292 1.00 0.00 C ATOM 391 O ALA A 27 -3.320 4.591 -1.642 1.00 0.00 O ATOM 392 CB ALA A 27 -6.059 2.536 -1.403 1.00 0.00 C ATOM 0 H ALA A 27 -7.313 3.986 -2.908 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.605 4.500 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.346 2.072 -0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.048 2.543 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.094 1.968 -2.333 1.00 0.00 H new ATOM 398 N GLU A 28 -4.038 3.609 -3.535 1.00 0.00 N ATOM 399 CA GLU A 28 -2.790 3.592 -4.289 1.00 0.00 C ATOM 400 C GLU A 28 -2.133 4.972 -4.261 1.00 0.00 C ATOM 401 O GLU A 28 -0.978 5.095 -3.852 1.00 0.00 O ATOM 402 CB GLU A 28 -3.101 3.148 -5.731 1.00 0.00 C ATOM 403 CG GLU A 28 -1.848 2.981 -6.595 1.00 0.00 C ATOM 404 CD GLU A 28 -2.210 2.515 -8.004 1.00 0.00 C ATOM 405 OE1 GLU A 28 -2.411 1.296 -8.201 1.00 0.00 O ATOM 406 OE2 GLU A 28 -2.384 3.374 -8.905 1.00 0.00 O ATOM 0 H GLU A 28 -4.814 3.223 -4.073 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.087 2.891 -3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.644 2.203 -5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.760 3.881 -6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.311 3.928 -6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.176 2.259 -6.131 1.00 0.00 H new ATOM 413 N LYS A 29 -2.883 6.006 -4.656 1.00 0.00 N ATOM 414 CA LYS A 29 -2.434 7.392 -4.705 1.00 0.00 C ATOM 415 C LYS A 29 -1.908 7.863 -3.352 1.00 0.00 C ATOM 416 O LYS A 29 -0.813 8.425 -3.281 1.00 0.00 O ATOM 417 CB LYS A 29 -3.611 8.259 -5.184 1.00 0.00 C ATOM 418 CG LYS A 29 -3.234 9.743 -5.312 1.00 0.00 C ATOM 419 CD LYS A 29 -4.448 10.630 -5.583 1.00 0.00 C ATOM 420 CE LYS A 29 -5.323 10.807 -4.336 1.00 0.00 C ATOM 421 NZ LYS A 29 -6.420 11.761 -4.579 1.00 0.00 N ATOM 0 H LYS A 29 -3.850 5.892 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.600 7.482 -5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.960 7.891 -6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.441 8.157 -4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.745 10.071 -4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.512 9.863 -6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.112 11.607 -5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.044 10.193 -6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.736 9.843 -4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.710 11.159 -3.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.993 11.858 -3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.024 12.687 -4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.018 11.412 -5.355 1.00 0.00 H new ATOM 435 N VAL A 30 -2.693 7.692 -2.291 1.00 0.00 N ATOM 436 CA VAL A 30 -2.316 8.113 -0.947 1.00 0.00 C ATOM 437 C VAL A 30 -1.084 7.334 -0.478 1.00 0.00 C ATOM 438 O VAL A 30 -0.068 7.934 -0.119 1.00 0.00 O ATOM 439 CB VAL A 30 -3.542 7.971 -0.022 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.182 8.142 1.457 1.00 0.00 C ATOM 441 CG2 VAL A 30 -4.603 9.019 -0.407 1.00 0.00 C ATOM 0 H VAL A 30 -3.613 7.255 -2.341 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.022 9.163 -0.928 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.931 6.962 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.080 8.033 2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.455 7.383 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.755 9.132 1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.469 8.918 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.182 10.019 -0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.910 8.863 -1.441 1.00 0.00 H new ATOM 451 N PHE A 31 -1.143 6.002 -0.523 1.00 0.00 N ATOM 452 CA PHE A 31 -0.067 5.111 -0.109 1.00 0.00 C ATOM 453 C PHE A 31 1.258 5.425 -0.810 1.00 0.00 C ATOM 454 O PHE A 31 2.317 5.254 -0.203 1.00 0.00 O ATOM 455 CB PHE A 31 -0.491 3.662 -0.376 1.00 0.00 C ATOM 456 CG PHE A 31 -1.659 3.088 0.416 1.00 0.00 C ATOM 457 CD1 PHE A 31 -1.964 3.536 1.718 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.356 1.981 -0.108 1.00 0.00 C ATOM 459 CE1 PHE A 31 -2.895 2.836 2.502 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.317 1.309 0.667 1.00 0.00 C ATOM 461 CZ PHE A 31 -3.579 1.728 1.981 1.00 0.00 C ATOM 0 H PHE A 31 -1.966 5.503 -0.859 1.00 0.00 H new ATOM 0 HA PHE A 31 0.107 5.261 0.957 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.736 3.578 -1.435 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.375 3.025 -0.198 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.481 4.418 2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.150 1.646 -1.114 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.086 3.154 3.516 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.854 0.470 0.251 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.302 1.201 2.586 1.00 0.00 H new ATOM 471 N LYS A 32 1.213 5.934 -2.048 1.00 0.00 N ATOM 472 CA LYS A 32 2.384 6.299 -2.847 1.00 0.00 C ATOM 473 C LYS A 32 3.319 7.239 -2.089 1.00 0.00 C ATOM 474 O LYS A 32 4.532 7.184 -2.289 1.00 0.00 O ATOM 475 CB LYS A 32 1.906 6.947 -4.159 1.00 0.00 C ATOM 476 CG LYS A 32 2.904 6.752 -5.303 1.00 0.00 C ATOM 477 CD LYS A 32 2.258 7.099 -6.651 1.00 0.00 C ATOM 478 CE LYS A 32 3.056 6.566 -7.844 1.00 0.00 C ATOM 479 NZ LYS A 32 4.455 7.039 -7.884 1.00 0.00 N ATOM 0 H LYS A 32 0.333 6.107 -2.533 1.00 0.00 H new ATOM 0 HA LYS A 32 2.955 5.397 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.944 6.520 -4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.746 8.013 -3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.779 7.382 -5.140 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.253 5.719 -5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.249 6.688 -6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.164 8.182 -6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.051 5.476 -7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.555 6.862 -8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.923 6.666 -8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.469 8.079 -7.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.959 6.705 -7.037 1.00 0.00 H new ATOM 493 N GLN A 33 2.751 8.121 -1.261 1.00 0.00 N ATOM 494 CA GLN A 33 3.496 9.080 -0.464 1.00 0.00 C ATOM 495 C GLN A 33 4.270 8.347 0.632 1.00 0.00 C ATOM 496 O GLN A 33 5.483 8.504 0.722 1.00 0.00 O ATOM 497 CB GLN A 33 2.549 10.136 0.139 1.00 0.00 C ATOM 498 CG GLN A 33 1.735 10.879 -0.935 1.00 0.00 C ATOM 499 CD GLN A 33 0.968 12.085 -0.389 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.102 13.197 -0.890 1.00 0.00 O ATOM 501 NE2 GLN A 33 0.129 11.927 0.623 1.00 0.00 N ATOM 0 H GLN A 33 1.742 8.184 -1.129 1.00 0.00 H new ATOM 0 HA GLN A 33 4.208 9.601 -1.105 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.866 9.651 0.837 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.132 10.857 0.712 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.408 11.213 -1.724 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.029 10.185 -1.391 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.009 11.007 1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.398 12.725 0.978 1.00 0.00 H new ATOM 510 N TYR A 34 3.582 7.543 1.451 1.00 0.00 N ATOM 511 CA TYR A 34 4.200 6.803 2.548 1.00 0.00 C ATOM 512 C TYR A 34 5.296 5.857 2.081 1.00 0.00 C ATOM 513 O TYR A 34 6.374 5.852 2.663 1.00 0.00 O ATOM 514 CB TYR A 34 3.147 6.010 3.340 1.00 0.00 C ATOM 515 CG TYR A 34 3.715 5.251 4.533 1.00 0.00 C ATOM 516 CD1 TYR A 34 4.346 5.947 5.581 1.00 0.00 C ATOM 517 CD2 TYR A 34 3.650 3.845 4.587 1.00 0.00 C ATOM 518 CE1 TYR A 34 4.889 5.251 6.674 1.00 0.00 C ATOM 519 CE2 TYR A 34 4.161 3.139 5.694 1.00 0.00 C ATOM 520 CZ TYR A 34 4.784 3.846 6.748 1.00 0.00 C ATOM 521 OH TYR A 34 5.311 3.200 7.824 1.00 0.00 O ATOM 0 H TYR A 34 2.577 7.389 1.368 1.00 0.00 H new ATOM 0 HA TYR A 34 4.660 7.552 3.193 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.378 6.697 3.692 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.660 5.302 2.670 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.413 7.024 5.545 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.202 3.301 3.769 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.389 5.794 7.462 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.077 2.063 5.737 1.00 0.00 H new ATOM 0 HH TYR A 34 5.160 2.236 7.733 1.00 0.00 H new ATOM 531 N ALA A 35 5.034 5.059 1.044 1.00 0.00 N ATOM 532 CA ALA A 35 6.024 4.108 0.573 1.00 0.00 C ATOM 533 C ALA A 35 7.305 4.781 0.083 1.00 0.00 C ATOM 534 O ALA A 35 8.377 4.527 0.642 1.00 0.00 O ATOM 535 CB ALA A 35 5.400 3.231 -0.517 1.00 0.00 C ATOM 0 H ALA A 35 4.156 5.056 0.525 1.00 0.00 H new ATOM 0 HA ALA A 35 6.323 3.485 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.139 2.514 -0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.544 2.695 -0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.072 3.859 -1.346 1.00 0.00 H new ATOM 541 N ASN A 36 7.200 5.716 -0.869 1.00 0.00 N ATOM 542 CA ASN A 36 8.396 6.354 -1.413 1.00 0.00 C ATOM 543 C ASN A 36 9.166 7.178 -0.394 1.00 0.00 C ATOM 544 O ASN A 36 10.398 7.163 -0.413 1.00 0.00 O ATOM 545 CB ASN A 36 8.076 7.205 -2.643 1.00 0.00 C ATOM 546 CG ASN A 36 9.350 7.398 -3.455 1.00 0.00 C ATOM 547 OD1 ASN A 36 10.056 8.396 -3.316 1.00 0.00 O ATOM 548 ND2 ASN A 36 9.666 6.430 -4.299 1.00 0.00 N ATOM 0 H ASN A 36 6.319 6.039 -1.269 1.00 0.00 H new ATOM 0 HA ASN A 36 9.045 5.530 -1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.312 6.718 -3.250 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.673 8.171 -2.339 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.516 6.498 -4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.059 5.615 -4.391 1.00 0.00 H new ATOM 555 N ASP A 37 8.460 7.884 0.492 1.00 0.00 N ATOM 556 CA ASP A 37 9.082 8.713 1.526 1.00 0.00 C ATOM 557 C ASP A 37 9.809 7.865 2.577 1.00 0.00 C ATOM 558 O ASP A 37 10.659 8.378 3.302 1.00 0.00 O ATOM 559 CB ASP A 37 8.027 9.621 2.163 1.00 0.00 C ATOM 560 CG ASP A 37 8.634 10.627 3.140 1.00 0.00 C ATOM 561 OD1 ASP A 37 9.490 11.435 2.711 1.00 0.00 O ATOM 562 OD2 ASP A 37 8.184 10.656 4.314 1.00 0.00 O ATOM 0 H ASP A 37 7.440 7.897 0.512 1.00 0.00 H new ATOM 0 HA ASP A 37 9.842 9.338 1.057 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.493 10.158 1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.293 9.008 2.687 1.00 0.00 H new ATOM 567 N ASN A 38 9.509 6.563 2.659 1.00 0.00 N ATOM 568 CA ASN A 38 10.131 5.617 3.589 1.00 0.00 C ATOM 569 C ASN A 38 11.211 4.790 2.872 1.00 0.00 C ATOM 570 O ASN A 38 11.838 3.933 3.490 1.00 0.00 O ATOM 571 CB ASN A 38 9.053 4.723 4.230 1.00 0.00 C ATOM 572 CG ASN A 38 9.351 4.284 5.663 1.00 0.00 C ATOM 573 OD1 ASN A 38 10.485 4.114 6.101 1.00 0.00 O ATOM 574 ND2 ASN A 38 8.312 4.114 6.465 1.00 0.00 N ATOM 0 H ASN A 38 8.806 6.127 2.062 1.00 0.00 H new ATOM 0 HA ASN A 38 10.624 6.169 4.389 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.104 5.259 4.219 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.924 3.834 3.612 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.457 3.844 7.438 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.366 4.253 6.110 1.00 0.00 H new ATOM 581 N GLY A 39 11.445 5.016 1.572 1.00 0.00 N ATOM 582 CA GLY A 39 12.450 4.297 0.792 1.00 0.00 C ATOM 583 C GLY A 39 11.944 2.982 0.196 1.00 0.00 C ATOM 584 O GLY A 39 12.748 2.089 -0.081 1.00 0.00 O ATOM 0 H GLY A 39 10.933 5.712 1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.799 4.941 -0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.310 4.090 1.428 1.00 0.00 H new ATOM 588 N VAL A 40 10.631 2.825 0.006 1.00 0.00 N ATOM 589 CA VAL A 40 10.025 1.623 -0.556 1.00 0.00 C ATOM 590 C VAL A 40 9.261 2.020 -1.814 1.00 0.00 C ATOM 591 O VAL A 40 8.444 2.940 -1.805 1.00 0.00 O ATOM 592 CB VAL A 40 9.119 0.933 0.484 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.498 -0.354 -0.086 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.906 0.577 1.752 1.00 0.00 C ATOM 0 H VAL A 40 9.950 3.546 0.244 1.00 0.00 H new ATOM 0 HA VAL A 40 10.793 0.897 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 40 8.327 1.639 0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.865 -0.818 0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.898 -0.111 -0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.291 -1.046 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.242 0.092 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.721 -0.100 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.314 1.486 2.194 1.00 0.00 H new ATOM 604 N ASP A 41 9.537 1.335 -2.914 1.00 0.00 N ATOM 605 CA ASP A 41 8.896 1.565 -4.197 1.00 0.00 C ATOM 606 C ASP A 41 9.057 0.265 -4.965 1.00 0.00 C ATOM 607 O ASP A 41 10.181 -0.111 -5.289 1.00 0.00 O ATOM 608 CB ASP A 41 9.544 2.750 -4.914 1.00 0.00 C ATOM 609 CG ASP A 41 8.810 3.071 -6.208 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.564 2.958 -6.234 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.483 3.560 -7.140 1.00 0.00 O ATOM 0 H ASP A 41 10.229 0.586 -2.938 1.00 0.00 H new ATOM 0 HA ASP A 41 7.842 1.825 -4.098 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.537 3.623 -4.261 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.588 2.522 -5.130 1.00 0.00 H new ATOM 616 N GLY A 42 7.978 -0.491 -5.120 1.00 0.00 N ATOM 617 CA GLY A 42 7.961 -1.773 -5.802 1.00 0.00 C ATOM 618 C GLY A 42 6.643 -1.959 -6.525 1.00 0.00 C ATOM 619 O GLY A 42 5.906 -0.996 -6.706 1.00 0.00 O ATOM 0 H GLY A 42 7.063 -0.218 -4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.786 -1.827 -6.513 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.107 -2.579 -5.083 1.00 0.00 H new ATOM 623 N GLU A 43 6.343 -3.189 -6.926 1.00 0.00 N ATOM 624 CA GLU A 43 5.131 -3.513 -7.649 1.00 0.00 C ATOM 625 C GLU A 43 3.911 -3.362 -6.733 1.00 0.00 C ATOM 626 O GLU A 43 3.807 -4.022 -5.689 1.00 0.00 O ATOM 627 CB GLU A 43 5.286 -4.918 -8.249 1.00 0.00 C ATOM 628 CG GLU A 43 4.189 -5.264 -9.258 1.00 0.00 C ATOM 629 CD GLU A 43 4.010 -4.156 -10.298 1.00 0.00 C ATOM 630 OE1 GLU A 43 4.882 -4.009 -11.191 1.00 0.00 O ATOM 631 OE2 GLU A 43 3.035 -3.380 -10.159 1.00 0.00 O ATOM 0 H GLU A 43 6.945 -3.994 -6.754 1.00 0.00 H new ATOM 0 HA GLU A 43 4.965 -2.820 -8.474 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.257 -4.993 -8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.276 -5.653 -7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.438 -6.199 -9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.248 -5.426 -8.732 1.00 0.00 H new ATOM 638 N TRP A 44 3.021 -2.446 -7.111 1.00 0.00 N ATOM 639 CA TRP A 44 1.792 -2.083 -6.424 1.00 0.00 C ATOM 640 C TRP A 44 0.655 -3.032 -6.790 1.00 0.00 C ATOM 641 O TRP A 44 -0.020 -2.818 -7.801 1.00 0.00 O ATOM 642 CB TRP A 44 1.450 -0.635 -6.811 1.00 0.00 C ATOM 643 CG TRP A 44 2.391 0.385 -6.263 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.579 0.747 -6.793 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.262 1.140 -5.032 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.217 1.635 -5.951 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.446 1.913 -4.844 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.261 1.231 -4.045 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.634 2.721 -3.715 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.448 2.024 -2.903 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.633 2.759 -2.730 1.00 0.00 C ATOM 0 H TRP A 44 3.153 -1.903 -7.964 1.00 0.00 H new ATOM 0 HA TRP A 44 1.929 -2.161 -5.346 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.438 -0.555 -7.898 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.442 -0.407 -6.464 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.971 0.394 -7.735 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.139 2.034 -6.126 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.338 0.684 -4.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.535 3.306 -3.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.675 2.070 -2.150 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.774 3.353 -1.839 1.00 0.00 H new ATOM 662 N THR A 45 0.366 -4.004 -5.929 1.00 0.00 N ATOM 663 CA THR A 45 -0.684 -4.991 -6.153 1.00 0.00 C ATOM 664 C THR A 45 -1.681 -4.942 -4.985 1.00 0.00 C ATOM 665 O THR A 45 -1.296 -4.898 -3.812 1.00 0.00 O ATOM 666 CB THR A 45 -0.026 -6.364 -6.353 1.00 0.00 C ATOM 667 OG1 THR A 45 1.112 -6.284 -7.199 1.00 0.00 O ATOM 668 CG2 THR A 45 -0.989 -7.405 -6.918 1.00 0.00 C ATOM 0 H THR A 45 0.861 -4.129 -5.046 1.00 0.00 H new ATOM 0 HA THR A 45 -1.259 -4.778 -7.054 1.00 0.00 H new ATOM 0 HB THR A 45 0.282 -6.684 -5.357 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.506 -7.175 -7.302 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.468 -8.355 -7.038 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.827 -7.535 -6.234 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.360 -7.070 -7.887 1.00 0.00 H new ATOM 676 N TYR A 46 -2.973 -4.940 -5.310 1.00 0.00 N ATOM 677 CA TYR A 46 -4.118 -4.873 -4.404 1.00 0.00 C ATOM 678 C TYR A 46 -4.926 -6.177 -4.425 1.00 0.00 C ATOM 679 O TYR A 46 -4.971 -6.862 -5.446 1.00 0.00 O ATOM 680 CB TYR A 46 -5.007 -3.687 -4.828 1.00 0.00 C ATOM 681 CG TYR A 46 -5.641 -3.884 -6.196 1.00 0.00 C ATOM 682 CD1 TYR A 46 -4.921 -3.572 -7.369 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.895 -4.516 -6.294 1.00 0.00 C ATOM 684 CE1 TYR A 46 -5.412 -3.967 -8.627 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.382 -4.914 -7.547 1.00 0.00 C ATOM 686 CZ TYR A 46 -6.629 -4.681 -8.716 1.00 0.00 C ATOM 687 OH TYR A 46 -7.094 -5.118 -9.917 1.00 0.00 O ATOM 0 H TYR A 46 -3.268 -4.989 -6.285 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.759 -4.731 -3.385 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.793 -3.544 -4.086 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.409 -2.776 -4.838 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.990 -3.028 -7.301 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.481 -4.694 -5.405 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -4.860 -3.725 -9.523 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.342 -5.403 -7.617 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.943 -5.590 -9.787 1.00 0.00 H new ATOM 697 N ASP A 47 -5.555 -6.518 -3.299 1.00 0.00 N ATOM 698 CA ASP A 47 -6.393 -7.698 -3.107 1.00 0.00 C ATOM 699 C ASP A 47 -7.586 -7.273 -2.253 1.00 0.00 C ATOM 700 O ASP A 47 -7.392 -6.876 -1.107 1.00 0.00 O ATOM 701 CB ASP A 47 -5.613 -8.813 -2.397 1.00 0.00 C ATOM 702 CG ASP A 47 -6.575 -9.813 -1.756 1.00 0.00 C ATOM 703 OD1 ASP A 47 -7.442 -10.357 -2.474 1.00 0.00 O ATOM 704 OD2 ASP A 47 -6.493 -10.039 -0.530 1.00 0.00 O ATOM 0 H ASP A 47 -5.489 -5.949 -2.455 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.719 -8.088 -4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.968 -9.326 -3.111 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.965 -8.382 -1.634 1.00 0.00 H new ATOM 709 N ASP A 48 -8.813 -7.279 -2.793 1.00 0.00 N ATOM 710 CA ASP A 48 -9.996 -6.889 -2.015 1.00 0.00 C ATOM 711 C ASP A 48 -10.426 -7.943 -0.996 1.00 0.00 C ATOM 712 O ASP A 48 -11.035 -7.559 0.010 1.00 0.00 O ATOM 713 CB ASP A 48 -11.212 -6.483 -2.876 1.00 0.00 C ATOM 714 CG ASP A 48 -12.158 -7.618 -3.297 1.00 0.00 C ATOM 715 OD1 ASP A 48 -12.934 -8.106 -2.438 1.00 0.00 O ATOM 716 OD2 ASP A 48 -12.155 -7.946 -4.507 1.00 0.00 O ATOM 0 H ASP A 48 -9.011 -7.547 -3.757 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.659 -6.003 -1.477 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.791 -5.743 -2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.844 -5.992 -3.777 1.00 0.00 H new ATOM 721 N ALA A 49 -10.118 -9.226 -1.209 1.00 0.00 N ATOM 722 CA ALA A 49 -10.508 -10.299 -0.296 1.00 0.00 C ATOM 723 C ALA A 49 -9.952 -10.066 1.107 1.00 0.00 C ATOM 724 O ALA A 49 -10.691 -10.178 2.085 1.00 0.00 O ATOM 725 CB ALA A 49 -10.114 -11.657 -0.865 1.00 0.00 C ATOM 0 H ALA A 49 -9.591 -9.548 -2.021 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.594 -10.294 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.413 -12.443 -0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.613 -11.809 -1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.034 -11.692 -1.009 1.00 0.00 H new ATOM 731 N THR A 50 -8.674 -9.713 1.217 1.00 0.00 N ATOM 732 CA THR A 50 -8.011 -9.431 2.490 1.00 0.00 C ATOM 733 C THR A 50 -7.824 -7.912 2.649 1.00 0.00 C ATOM 734 O THR A 50 -7.350 -7.449 3.688 1.00 0.00 O ATOM 735 CB THR A 50 -6.650 -10.161 2.572 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.584 -11.289 1.719 1.00 0.00 O ATOM 737 CG2 THR A 50 -6.347 -10.636 3.993 1.00 0.00 C ATOM 0 H THR A 50 -8.058 -9.613 0.410 1.00 0.00 H new ATOM 0 HA THR A 50 -8.636 -9.799 3.304 1.00 0.00 H new ATOM 0 HB THR A 50 -5.913 -9.424 2.254 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.321 -11.004 0.819 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.383 -11.144 4.009 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.316 -9.778 4.665 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.126 -11.325 4.320 1.00 0.00 H new ATOM 745 N LYS A 51 -8.231 -7.111 1.652 1.00 0.00 N ATOM 746 CA LYS A 51 -8.104 -5.649 1.603 1.00 0.00 C ATOM 747 C LYS A 51 -6.634 -5.222 1.713 1.00 0.00 C ATOM 748 O LYS A 51 -6.347 -4.082 2.083 1.00 0.00 O ATOM 749 CB LYS A 51 -9.021 -4.957 2.625 1.00 0.00 C ATOM 750 CG LYS A 51 -10.509 -5.209 2.369 1.00 0.00 C ATOM 751 CD LYS A 51 -11.362 -4.475 3.414 1.00 0.00 C ATOM 752 CE LYS A 51 -12.862 -4.471 3.112 1.00 0.00 C ATOM 753 NZ LYS A 51 -13.422 -5.808 2.833 1.00 0.00 N ATOM 0 H LYS A 51 -8.680 -7.486 0.817 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.453 -5.310 0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.767 -5.306 3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.832 -3.884 2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.775 -4.869 1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.715 -6.279 2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.201 -4.938 4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.016 -3.444 3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.392 -4.036 3.960 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.048 -3.824 2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.446 -5.729 2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.968 -6.205 1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.247 -6.434 3.645 1.00 0.00 H new ATOM 767 N THR A 52 -5.696 -6.129 1.452 1.00 0.00 N ATOM 768 CA THR A 52 -4.276 -5.865 1.524 1.00 0.00 C ATOM 769 C THR A 52 -3.805 -5.234 0.220 1.00 0.00 C ATOM 770 O THR A 52 -4.192 -5.682 -0.861 1.00 0.00 O ATOM 771 CB THR A 52 -3.526 -7.174 1.823 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.013 -8.261 1.051 1.00 0.00 O ATOM 773 CG2 THR A 52 -3.676 -7.553 3.299 1.00 0.00 C ATOM 0 H THR A 52 -5.915 -7.087 1.179 1.00 0.00 H new ATOM 0 HA THR A 52 -4.066 -5.163 2.331 1.00 0.00 H new ATOM 0 HB THR A 52 -2.482 -6.992 1.569 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.508 -9.071 1.271 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.139 -8.482 3.493 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.264 -6.759 3.922 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.732 -7.688 3.534 1.00 0.00 H new ATOM 781 N PHE A 53 -2.966 -4.209 0.320 1.00 0.00 N ATOM 782 CA PHE A 53 -2.380 -3.502 -0.800 1.00 0.00 C ATOM 783 C PHE A 53 -0.900 -3.537 -0.453 1.00 0.00 C ATOM 784 O PHE A 53 -0.433 -2.783 0.407 1.00 0.00 O ATOM 785 CB PHE A 53 -2.991 -2.101 -0.941 1.00 0.00 C ATOM 786 CG PHE A 53 -2.895 -1.489 -2.328 1.00 0.00 C ATOM 787 CD1 PHE A 53 -1.830 -1.795 -3.203 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.913 -0.620 -2.764 1.00 0.00 C ATOM 789 CE1 PHE A 53 -1.799 -1.260 -4.499 1.00 0.00 C ATOM 790 CE2 PHE A 53 -3.871 -0.077 -4.058 1.00 0.00 C ATOM 791 CZ PHE A 53 -2.818 -0.398 -4.928 1.00 0.00 C ATOM 0 H PHE A 53 -2.667 -3.837 1.222 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.564 -3.936 -1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.042 -2.150 -0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.499 -1.435 -0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.034 -2.445 -2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.728 -0.370 -2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.989 -1.512 -5.167 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.653 0.591 -4.386 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.793 0.017 -5.925 1.00 0.00 H new ATOM 801 N THR A 54 -0.164 -4.428 -1.103 1.00 0.00 N ATOM 802 CA THR A 54 1.251 -4.631 -0.853 1.00 0.00 C ATOM 803 C THR A 54 2.127 -4.030 -1.950 1.00 0.00 C ATOM 804 O THR A 54 1.809 -4.130 -3.138 1.00 0.00 O ATOM 805 CB THR A 54 1.511 -6.137 -0.657 1.00 0.00 C ATOM 806 OG1 THR A 54 0.507 -6.758 0.143 1.00 0.00 O ATOM 807 CG2 THR A 54 2.853 -6.380 0.032 1.00 0.00 C ATOM 0 H THR A 54 -0.541 -5.037 -1.829 1.00 0.00 H new ATOM 0 HA THR A 54 1.529 -4.101 0.058 1.00 0.00 H new ATOM 0 HB THR A 54 1.505 -6.570 -1.657 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.710 -7.712 0.240 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.009 -7.452 0.157 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.655 -5.965 -0.578 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.853 -5.897 1.009 1.00 0.00 H new ATOM 815 N VAL A 55 3.201 -3.360 -1.539 1.00 0.00 N ATOM 816 CA VAL A 55 4.203 -2.742 -2.397 1.00 0.00 C ATOM 817 C VAL A 55 5.355 -3.743 -2.293 1.00 0.00 C ATOM 818 O VAL A 55 5.984 -3.798 -1.234 1.00 0.00 O ATOM 819 CB VAL A 55 4.571 -1.334 -1.878 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.474 -0.611 -2.886 1.00 0.00 C ATOM 821 CG2 VAL A 55 3.322 -0.486 -1.610 1.00 0.00 C ATOM 0 H VAL A 55 3.404 -3.228 -0.548 1.00 0.00 H new ATOM 0 HA VAL A 55 3.888 -2.569 -3.426 1.00 0.00 H new ATOM 0 HB VAL A 55 5.105 -1.464 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.724 0.379 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.389 -1.185 -3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.951 -0.513 -3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.621 0.497 -1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.753 -0.374 -2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.703 -0.978 -0.860 1.00 0.00 H new ATOM 831 N THR A 56 5.610 -4.545 -3.328 1.00 0.00 N ATOM 832 CA THR A 56 6.658 -5.565 -3.299 1.00 0.00 C ATOM 833 C THR A 56 7.689 -5.350 -4.397 1.00 0.00 C ATOM 834 O THR A 56 7.368 -5.486 -5.578 1.00 0.00 O ATOM 835 CB THR A 56 6.018 -6.964 -3.408 1.00 0.00 C ATOM 836 OG1 THR A 56 4.887 -7.074 -2.570 1.00 0.00 O ATOM 837 CG2 THR A 56 6.981 -8.086 -3.017 1.00 0.00 C ATOM 0 H THR A 56 5.096 -4.505 -4.208 1.00 0.00 H new ATOM 0 HA THR A 56 7.188 -5.485 -2.350 1.00 0.00 H new ATOM 0 HB THR A 56 5.740 -7.073 -4.456 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.499 -7.970 -2.659 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.477 -9.048 -3.113 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.850 -8.065 -3.674 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.303 -7.946 -1.985 1.00 0.00 H new ATOM 845 N GLU A 57 8.899 -4.930 -4.023 1.00 0.00 N ATOM 846 CA GLU A 57 9.977 -4.729 -4.984 1.00 0.00 C ATOM 847 C GLU A 57 10.772 -6.020 -4.997 1.00 0.00 C ATOM 848 O GLU A 57 11.160 -6.471 -3.901 1.00 0.00 O ATOM 849 CB GLU A 57 10.870 -3.535 -4.617 1.00 0.00 C ATOM 850 CG GLU A 57 11.706 -3.145 -5.848 1.00 0.00 C ATOM 851 CD GLU A 57 12.889 -2.224 -5.548 1.00 0.00 C ATOM 852 OE1 GLU A 57 12.783 -1.283 -4.725 1.00 0.00 O ATOM 853 OE2 GLU A 57 13.956 -2.428 -6.175 1.00 0.00 O ATOM 0 H GLU A 57 9.154 -4.723 -3.057 1.00 0.00 H new ATOM 0 HA GLU A 57 9.571 -4.495 -5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.259 -2.692 -4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.523 -3.794 -3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.080 -4.054 -6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.055 -2.655 -6.572 1.00 0.00 H new TER 860 GLU A 57