USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 437 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 :FLIP amide:sc= 0.469 F(o=-3.2,f=1.6) USER MOD Set 1.2: A 56 THR OG1 : rot -78:sc= 1.11 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 52 THR OG1 : rot 68:sc= -1.45 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -120:sc= -0.0167 (180deg=-0.293) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 19:sc= 0.249 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 171:sc= -5.27! USER MOD Single : A 36 ASN : amide:sc= 0.057 K(o=0.057,f=-0.48) USER MOD Single : A 38 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.1!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.224 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -33:sc= 0.523 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.840 -14.210 7.472 1.00 0.00 N ATOM 2 CA MET A 1 -2.083 -14.626 6.758 1.00 0.00 C ATOM 3 C MET A 1 -2.392 -13.646 5.625 1.00 0.00 C ATOM 4 O MET A 1 -2.552 -14.036 4.483 1.00 0.00 O ATOM 5 CB MET A 1 -3.183 -14.582 7.819 1.00 0.00 C ATOM 6 CG MET A 1 -4.347 -15.476 7.385 1.00 0.00 C ATOM 7 SD MET A 1 -5.671 -15.384 8.615 1.00 0.00 S ATOM 8 CE MET A 1 -7.014 -15.954 7.545 1.00 0.00 C ATOM 0 H1 MET A 1 -0.639 -14.882 8.240 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.043 -14.199 6.804 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.971 -13.258 7.871 1.00 0.00 H new ATOM 0 HA MET A 1 -1.991 -15.614 6.308 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.791 -14.918 8.779 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.529 -13.558 7.957 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.719 -15.159 6.411 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.008 -16.506 7.277 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.946 -15.975 8.110 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.118 -15.275 6.699 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.788 -16.956 7.180 1.00 0.00 H new ATOM 20 N THR A 2 -2.478 -12.378 5.933 1.00 0.00 N ATOM 21 CA THR A 2 -2.778 -11.363 4.879 1.00 0.00 C ATOM 22 C THR A 2 -1.922 -10.109 5.091 1.00 0.00 C ATOM 23 O THR A 2 -2.434 -9.017 5.254 1.00 0.00 O ATOM 24 CB THR A 2 -4.263 -11.041 5.055 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.021 -12.238 4.961 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.708 -10.065 3.966 1.00 0.00 C ATOM 0 H THR A 2 -2.353 -12.000 6.872 1.00 0.00 H new ATOM 0 HA THR A 2 -2.557 -11.728 3.876 1.00 0.00 H new ATOM 0 HB THR A 2 -4.423 -10.587 6.033 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.972 -12.033 5.075 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.766 -9.836 4.093 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.127 -9.146 4.041 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.549 -10.516 2.986 1.00 0.00 H new ATOM 34 N THR A 3 -0.623 -10.263 5.088 1.00 0.00 N ATOM 35 CA THR A 3 0.278 -9.089 5.288 1.00 0.00 C ATOM 36 C THR A 3 0.631 -8.458 3.937 1.00 0.00 C ATOM 37 O THR A 3 1.444 -8.978 3.196 1.00 0.00 O ATOM 38 CB THR A 3 1.531 -9.659 5.957 1.00 0.00 C ATOM 39 OG1 THR A 3 1.145 -10.508 7.029 1.00 0.00 O ATOM 40 CG2 THR A 3 2.394 -8.515 6.492 1.00 0.00 C ATOM 0 H THR A 3 -0.146 -11.155 4.955 1.00 0.00 H new ATOM 0 HA THR A 3 -0.187 -8.310 5.892 1.00 0.00 H new ATOM 0 HB THR A 3 2.106 -10.230 5.228 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.945 -10.876 7.459 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.285 -8.924 6.968 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.688 -7.865 5.668 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.824 -7.940 7.222 1.00 0.00 H new ATOM 48 N PHE A 4 0.025 -7.343 3.618 1.00 0.00 N ATOM 49 CA PHE A 4 0.320 -6.673 2.317 1.00 0.00 C ATOM 50 C PHE A 4 1.533 -5.754 2.458 1.00 0.00 C ATOM 51 O PHE A 4 1.812 -5.239 3.523 1.00 0.00 O ATOM 52 CB PHE A 4 -0.930 -5.851 1.995 1.00 0.00 C ATOM 53 CG PHE A 4 -2.047 -6.775 1.585 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.986 -7.444 0.358 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.142 -6.966 2.434 1.00 0.00 C ATOM 56 CE1 PHE A 4 -3.022 -8.306 -0.020 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.177 -7.825 2.055 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.118 -8.497 0.828 1.00 0.00 C ATOM 0 H PHE A 4 -0.662 -6.868 4.203 1.00 0.00 H new ATOM 0 HA PHE A 4 0.550 -7.392 1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.228 -5.267 2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.717 -5.143 1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.140 -7.296 -0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.188 -6.450 3.382 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.975 -8.824 -0.967 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.024 -7.971 2.709 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.918 -9.162 0.537 1.00 0.00 H new ATOM 68 N LYS A 5 2.249 -5.542 1.385 1.00 0.00 N ATOM 69 CA LYS A 5 3.443 -4.650 1.438 1.00 0.00 C ATOM 70 C LYS A 5 3.209 -3.431 0.547 1.00 0.00 C ATOM 71 O LYS A 5 2.090 -3.147 0.158 1.00 0.00 O ATOM 72 CB LYS A 5 4.602 -5.497 0.905 1.00 0.00 C ATOM 73 CG LYS A 5 4.789 -6.737 1.789 1.00 0.00 C ATOM 74 CD LYS A 5 4.181 -7.961 1.099 1.00 0.00 C ATOM 75 CE LYS A 5 4.588 -9.226 1.859 1.00 0.00 C ATOM 76 NZ LYS A 5 5.978 -9.511 1.409 1.00 0.00 N ATOM 0 H LYS A 5 2.057 -5.951 0.470 1.00 0.00 H new ATOM 0 HA LYS A 5 3.648 -4.282 2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.401 -5.799 -0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.519 -4.908 0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.849 -6.904 1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.313 -6.580 2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.095 -7.874 1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.524 -8.018 0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.546 -9.070 2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.920 -10.057 1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.013 -10.449 0.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.275 -8.789 0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.618 -9.494 2.228 1.00 0.00 H new ATOM 90 N LEU A 6 4.249 -2.707 0.216 1.00 0.00 N ATOM 91 CA LEU A 6 4.079 -1.506 -0.654 1.00 0.00 C ATOM 92 C LEU A 6 5.440 -1.004 -1.139 1.00 0.00 C ATOM 93 O LEU A 6 6.208 -0.439 -0.381 1.00 0.00 O ATOM 94 CB LEU A 6 3.393 -0.462 0.236 1.00 0.00 C ATOM 95 CG LEU A 6 3.208 0.851 -0.536 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.215 0.639 -1.678 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.670 1.929 0.408 1.00 0.00 C ATOM 0 H LEU A 6 5.207 -2.896 0.511 1.00 0.00 H new ATOM 0 HA LEU A 6 3.492 -1.722 -1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.425 -0.836 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.991 -0.286 1.130 1.00 0.00 H new ATOM 0 HG LEU A 6 4.169 1.167 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.085 1.573 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.595 -0.127 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.255 0.320 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.539 2.861 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.711 1.610 0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.377 2.084 1.223 1.00 0.00 H new ATOM 109 N ILE A 7 5.731 -1.188 -2.401 1.00 0.00 N ATOM 110 CA ILE A 7 7.027 -0.706 -2.951 1.00 0.00 C ATOM 111 C ILE A 7 6.861 0.755 -3.356 1.00 0.00 C ATOM 112 O ILE A 7 6.217 1.063 -4.344 1.00 0.00 O ATOM 113 CB ILE A 7 7.309 -1.587 -4.172 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.416 -3.050 -3.731 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.626 -1.155 -4.823 1.00 0.00 C ATOM 116 CD1 ILE A 7 6.888 -3.959 -4.842 1.00 0.00 C ATOM 0 H ILE A 7 5.122 -1.653 -3.074 1.00 0.00 H new ATOM 0 HA ILE A 7 7.848 -0.767 -2.236 1.00 0.00 H new ATOM 0 HB ILE A 7 6.497 -1.480 -4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.453 -3.298 -3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.845 -3.208 -2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.826 -1.783 -5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.552 -0.114 -5.137 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.439 -1.261 -4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.964 -5.000 -4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.845 -3.717 -5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.478 -3.809 -5.746 1.00 0.00 H new ATOM 128 N ILE A 8 7.408 1.656 -2.585 1.00 0.00 N ATOM 129 CA ILE A 8 7.255 3.100 -2.911 1.00 0.00 C ATOM 130 C ILE A 8 8.205 3.486 -4.050 1.00 0.00 C ATOM 131 O ILE A 8 9.378 3.725 -3.832 1.00 0.00 O ATOM 132 CB ILE A 8 7.619 3.878 -1.638 1.00 0.00 C ATOM 133 CG1 ILE A 8 6.831 3.336 -0.400 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.330 5.366 -1.884 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.476 4.042 -0.199 1.00 0.00 C ATOM 0 H ILE A 8 7.952 1.454 -1.746 1.00 0.00 H new ATOM 0 HA ILE A 8 6.238 3.324 -3.234 1.00 0.00 H new ATOM 0 HB ILE A 8 8.677 3.746 -1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.663 2.266 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.438 3.464 0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.582 5.938 -0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.930 5.719 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.273 5.498 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.974 3.625 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.641 5.109 -0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.853 3.892 -1.081 1.00 0.00 H new ATOM 147 N ASN A 9 7.707 3.553 -5.259 1.00 0.00 N ATOM 148 CA ASN A 9 8.578 3.928 -6.415 1.00 0.00 C ATOM 149 C ASN A 9 8.661 5.454 -6.535 1.00 0.00 C ATOM 150 O ASN A 9 8.230 6.034 -7.513 1.00 0.00 O ATOM 151 CB ASN A 9 7.895 3.320 -7.643 1.00 0.00 C ATOM 152 CG ASN A 9 8.719 3.624 -8.899 1.00 0.00 C ATOM 153 OD1 ASN A 9 8.373 4.619 -9.671 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 9.688 2.946 -9.181 1.00 0.00 N flip ATOM 0 H ASN A 9 6.733 3.364 -5.496 1.00 0.00 H new ATOM 0 HA ASN A 9 9.599 3.564 -6.303 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.792 2.242 -7.517 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.889 3.726 -7.750 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.959 2.169 -8.579 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.230 3.155 -10.020 1.00 0.00 H new ATOM 161 N GLY A 10 9.211 6.105 -5.541 1.00 0.00 N ATOM 162 CA GLY A 10 9.327 7.592 -5.586 1.00 0.00 C ATOM 163 C GLY A 10 10.696 8.013 -5.048 1.00 0.00 C ATOM 164 O GLY A 10 11.718 7.508 -5.471 1.00 0.00 O ATOM 0 H GLY A 10 9.585 5.668 -4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.202 7.946 -6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.535 8.047 -4.992 1.00 0.00 H new ATOM 168 N LYS A 11 10.719 8.932 -4.118 1.00 0.00 N ATOM 169 CA LYS A 11 12.021 9.392 -3.545 1.00 0.00 C ATOM 170 C LYS A 11 11.826 9.914 -2.116 1.00 0.00 C ATOM 171 O LYS A 11 12.614 10.701 -1.624 1.00 0.00 O ATOM 172 CB LYS A 11 12.499 10.514 -4.474 1.00 0.00 C ATOM 173 CG LYS A 11 11.457 11.640 -4.524 1.00 0.00 C ATOM 174 CD LYS A 11 11.353 12.183 -5.953 1.00 0.00 C ATOM 175 CE LYS A 11 10.490 13.451 -5.962 1.00 0.00 C ATOM 176 NZ LYS A 11 11.454 14.574 -6.126 1.00 0.00 N ATOM 0 H LYS A 11 9.892 9.385 -3.729 1.00 0.00 H new ATOM 0 HA LYS A 11 12.748 8.582 -3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.453 10.907 -4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.667 10.120 -5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.487 11.266 -4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.739 12.440 -3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.347 12.405 -6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.916 11.429 -6.608 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.767 13.430 -6.777 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.924 13.549 -5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.937 15.476 -6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.126 14.573 -5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.974 14.458 -7.019 1.00 0.00 H new ATOM 190 N THR A 12 10.787 9.480 -1.445 1.00 0.00 N ATOM 191 CA THR A 12 10.543 9.947 -0.044 1.00 0.00 C ATOM 192 C THR A 12 10.120 8.775 0.854 1.00 0.00 C ATOM 193 O THR A 12 9.697 8.976 1.976 1.00 0.00 O ATOM 194 CB THR A 12 9.412 10.984 -0.137 1.00 0.00 C ATOM 195 OG1 THR A 12 9.403 11.590 -1.426 1.00 0.00 O ATOM 196 CG2 THR A 12 9.629 12.063 0.926 1.00 0.00 C ATOM 0 H THR A 12 10.097 8.822 -1.807 1.00 0.00 H new ATOM 0 HA THR A 12 11.445 10.373 0.394 1.00 0.00 H new ATOM 0 HB THR A 12 8.457 10.484 0.027 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.678 12.247 -1.473 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.829 12.801 0.864 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.625 11.605 1.915 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.588 12.552 0.757 1.00 0.00 H new ATOM 204 N LEU A 13 10.230 7.556 0.373 1.00 0.00 N ATOM 205 CA LEU A 13 9.832 6.379 1.209 1.00 0.00 C ATOM 206 C LEU A 13 10.226 5.071 0.513 1.00 0.00 C ATOM 207 O LEU A 13 9.556 4.067 0.649 1.00 0.00 O ATOM 208 CB LEU A 13 8.301 6.473 1.338 1.00 0.00 C ATOM 209 CG LEU A 13 7.900 6.645 2.806 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.373 6.703 2.904 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.411 5.458 3.634 1.00 0.00 C ATOM 0 H LEU A 13 10.577 7.328 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 13 10.326 6.385 2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.931 7.314 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.839 5.573 0.931 1.00 0.00 H new ATOM 0 HG LEU A 13 8.337 7.566 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.080 6.825 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.003 7.547 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.948 5.778 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.121 5.590 4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.978 4.534 3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.497 5.406 3.564 1.00 0.00 H new ATOM 223 N LYS A 14 11.303 5.073 -0.233 1.00 0.00 N ATOM 224 CA LYS A 14 11.737 3.827 -0.945 1.00 0.00 C ATOM 225 C LYS A 14 11.839 2.647 0.033 1.00 0.00 C ATOM 226 O LYS A 14 12.777 2.549 0.802 1.00 0.00 O ATOM 227 CB LYS A 14 13.111 4.156 -1.533 1.00 0.00 C ATOM 228 CG LYS A 14 12.946 4.642 -2.975 1.00 0.00 C ATOM 229 CD LYS A 14 14.146 4.190 -3.809 1.00 0.00 C ATOM 230 CE LYS A 14 14.258 5.064 -5.059 1.00 0.00 C ATOM 231 NZ LYS A 14 15.257 4.375 -5.923 1.00 0.00 N ATOM 0 H LYS A 14 11.903 5.885 -0.381 1.00 0.00 H new ATOM 0 HA LYS A 14 11.023 3.533 -1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.601 4.923 -0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.751 3.274 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.024 4.245 -3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.864 5.729 -2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.060 4.262 -3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.031 3.144 -4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.296 5.156 -5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.583 6.073 -4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.388 4.916 -6.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.164 4.308 -5.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.917 3.419 -6.152 1.00 0.00 H new ATOM 245 N GLY A 15 10.877 1.757 0.006 1.00 0.00 N ATOM 246 CA GLY A 15 10.912 0.583 0.931 1.00 0.00 C ATOM 247 C GLY A 15 9.685 -0.302 0.698 1.00 0.00 C ATOM 248 O GLY A 15 8.873 -0.038 -0.168 1.00 0.00 O ATOM 0 H GLY A 15 10.070 1.793 -0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.823 0.007 0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.933 0.925 1.966 1.00 0.00 H new ATOM 252 N GLU A 16 9.551 -1.353 1.468 1.00 0.00 N ATOM 253 CA GLU A 16 8.384 -2.271 1.303 1.00 0.00 C ATOM 254 C GLU A 16 7.818 -2.659 2.675 1.00 0.00 C ATOM 255 O GLU A 16 7.850 -3.812 3.066 1.00 0.00 O ATOM 256 CB GLU A 16 8.952 -3.499 0.590 1.00 0.00 C ATOM 257 CG GLU A 16 8.775 -3.345 -0.921 1.00 0.00 C ATOM 258 CD GLU A 16 9.904 -4.079 -1.646 1.00 0.00 C ATOM 259 OE1 GLU A 16 11.045 -3.678 -1.484 1.00 0.00 O ATOM 260 OE2 GLU A 16 9.610 -5.030 -2.350 1.00 0.00 O ATOM 0 H GLU A 16 10.203 -1.615 2.207 1.00 0.00 H new ATOM 0 HA GLU A 16 7.569 -1.812 0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.008 -3.616 0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.444 -4.399 0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.810 -3.748 -1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.780 -2.289 -1.192 1.00 0.00 H new ATOM 267 N ILE A 17 7.293 -1.705 3.403 1.00 0.00 N ATOM 268 CA ILE A 17 6.717 -2.017 4.749 1.00 0.00 C ATOM 269 C ILE A 17 5.532 -2.976 4.590 1.00 0.00 C ATOM 270 O ILE A 17 4.704 -2.811 3.713 1.00 0.00 O ATOM 271 CB ILE A 17 6.259 -0.668 5.319 1.00 0.00 C ATOM 272 CG1 ILE A 17 7.469 0.257 5.472 1.00 0.00 C ATOM 273 CG2 ILE A 17 5.611 -0.875 6.693 1.00 0.00 C ATOM 274 CD1 ILE A 17 6.996 1.657 5.874 1.00 0.00 C ATOM 0 H ILE A 17 7.238 -0.725 3.125 1.00 0.00 H new ATOM 0 HA ILE A 17 7.436 -2.501 5.410 1.00 0.00 H new ATOM 0 HB ILE A 17 5.534 -0.222 4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.149 -0.139 6.226 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.024 0.304 4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.288 0.087 7.092 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.749 -1.534 6.593 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.335 -1.325 7.373 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.858 2.315 5.983 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.333 2.052 5.104 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.460 1.602 6.821 1.00 0.00 H new ATOM 286 N THR A 18 5.450 -3.977 5.429 1.00 0.00 N ATOM 287 CA THR A 18 4.325 -4.955 5.329 1.00 0.00 C ATOM 288 C THR A 18 3.287 -4.681 6.420 1.00 0.00 C ATOM 289 O THR A 18 3.627 -4.431 7.562 1.00 0.00 O ATOM 290 CB THR A 18 4.967 -6.333 5.534 1.00 0.00 C ATOM 291 OG1 THR A 18 5.527 -6.401 6.837 1.00 0.00 O ATOM 292 CG2 THR A 18 6.069 -6.566 4.492 1.00 0.00 C ATOM 0 H THR A 18 6.115 -4.159 6.180 1.00 0.00 H new ATOM 0 HA THR A 18 3.808 -4.887 4.372 1.00 0.00 H new ATOM 0 HB THR A 18 4.203 -7.102 5.418 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.125 -5.708 7.402 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.516 -7.548 4.649 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.639 -6.519 3.491 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.835 -5.798 4.595 1.00 0.00 H new ATOM 300 N ILE A 19 2.023 -4.728 6.077 1.00 0.00 N ATOM 301 CA ILE A 19 0.956 -4.473 7.096 1.00 0.00 C ATOM 302 C ILE A 19 -0.188 -5.482 6.935 1.00 0.00 C ATOM 303 O ILE A 19 -0.616 -5.776 5.835 1.00 0.00 O ATOM 304 CB ILE A 19 0.467 -3.038 6.838 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.126 -2.922 5.427 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.643 -2.066 6.975 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.646 -3.088 5.495 1.00 0.00 C ATOM 0 H ILE A 19 1.684 -4.932 5.137 1.00 0.00 H new ATOM 0 HA ILE A 19 1.331 -4.585 8.113 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.304 -2.792 7.568 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.125 -1.954 4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.305 -3.683 4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.297 -1.049 6.792 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.056 -2.134 7.982 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.414 -2.323 6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.066 -3.005 4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.887 -4.067 5.910 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.069 -2.310 6.131 1.00 0.00 H new ATOM 319 N GLU A 20 -0.683 -6.009 8.027 1.00 0.00 N ATOM 320 CA GLU A 20 -1.799 -7.000 7.951 1.00 0.00 C ATOM 321 C GLU A 20 -3.127 -6.280 7.702 1.00 0.00 C ATOM 322 O GLU A 20 -3.297 -5.133 8.070 1.00 0.00 O ATOM 323 CB GLU A 20 -1.816 -7.694 9.315 1.00 0.00 C ATOM 324 CG GLU A 20 -0.988 -8.978 9.244 1.00 0.00 C ATOM 325 CD GLU A 20 -1.900 -10.155 8.891 1.00 0.00 C ATOM 326 OE1 GLU A 20 -2.480 -10.127 7.818 1.00 0.00 O ATOM 327 OE2 GLU A 20 -2.004 -11.062 9.700 1.00 0.00 O ATOM 0 H GLU A 20 -0.361 -5.795 8.971 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.661 -7.711 7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.411 -7.029 10.078 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.841 -7.925 9.605 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.202 -8.876 8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.496 -9.159 10.200 1.00 0.00 H new ATOM 334 N ALA A 21 -4.066 -6.947 7.080 1.00 0.00 N ATOM 335 CA ALA A 21 -5.386 -6.305 6.803 1.00 0.00 C ATOM 336 C ALA A 21 -6.414 -7.356 6.381 1.00 0.00 C ATOM 337 O ALA A 21 -6.068 -8.442 5.956 1.00 0.00 O ATOM 338 CB ALA A 21 -5.113 -5.330 5.657 1.00 0.00 C ATOM 0 H ALA A 21 -3.975 -7.909 6.752 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.794 -5.804 7.681 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.036 -4.814 5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.367 -4.600 5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.742 -5.880 4.792 1.00 0.00 H new ATOM 344 N VAL A 22 -7.680 -7.037 6.500 1.00 0.00 N ATOM 345 CA VAL A 22 -8.752 -8.007 6.113 1.00 0.00 C ATOM 346 C VAL A 22 -8.551 -8.485 4.666 1.00 0.00 C ATOM 347 O VAL A 22 -8.730 -9.647 4.354 1.00 0.00 O ATOM 348 CB VAL A 22 -10.068 -7.226 6.255 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.059 -6.007 5.325 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.246 -8.135 5.892 1.00 0.00 C ATOM 0 H VAL A 22 -8.019 -6.141 6.851 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.742 -8.901 6.737 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.170 -6.888 7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.996 -5.460 5.433 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.226 -5.355 5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.949 -6.338 4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.179 -7.580 5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.137 -8.478 4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.261 -8.995 6.561 1.00 0.00 H new ATOM 360 N ASP A 23 -8.173 -7.592 3.791 1.00 0.00 N ATOM 361 CA ASP A 23 -7.948 -7.966 2.366 1.00 0.00 C ATOM 362 C ASP A 23 -7.033 -6.931 1.716 1.00 0.00 C ATOM 363 O ASP A 23 -6.710 -5.924 2.319 1.00 0.00 O ATOM 364 CB ASP A 23 -9.333 -7.941 1.718 1.00 0.00 C ATOM 365 CG ASP A 23 -10.042 -9.272 1.972 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.606 -10.268 1.420 1.00 0.00 O ATOM 367 OD2 ASP A 23 -11.009 -9.273 2.716 1.00 0.00 O ATOM 0 H ASP A 23 -8.009 -6.609 4.006 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.476 -8.942 2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.922 -7.120 2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.241 -7.765 0.646 1.00 0.00 H new ATOM 372 N ALA A 24 -6.607 -7.162 0.499 1.00 0.00 N ATOM 373 CA ALA A 24 -5.709 -6.173 -0.168 1.00 0.00 C ATOM 374 C ALA A 24 -6.444 -4.840 -0.325 1.00 0.00 C ATOM 375 O ALA A 24 -5.844 -3.783 -0.305 1.00 0.00 O ATOM 376 CB ALA A 24 -5.364 -6.769 -1.532 1.00 0.00 C ATOM 0 H ALA A 24 -6.840 -7.985 -0.056 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.806 -5.982 0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.706 -6.088 -2.071 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.861 -7.726 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.279 -6.919 -2.105 1.00 0.00 H new ATOM 382 N ALA A 25 -7.749 -4.886 -0.463 1.00 0.00 N ATOM 383 CA ALA A 25 -8.542 -3.629 -0.603 1.00 0.00 C ATOM 384 C ALA A 25 -8.289 -2.727 0.608 1.00 0.00 C ATOM 385 O ALA A 25 -8.065 -1.539 0.476 1.00 0.00 O ATOM 386 CB ALA A 25 -10.007 -4.072 -0.646 1.00 0.00 C ATOM 0 H ALA A 25 -8.298 -5.745 -0.484 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.271 -3.064 -1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.649 -3.197 -0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.161 -4.737 -1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.255 -4.598 0.276 1.00 0.00 H new ATOM 392 N GLU A 26 -8.301 -3.301 1.786 1.00 0.00 N ATOM 393 CA GLU A 26 -8.036 -2.498 3.015 1.00 0.00 C ATOM 394 C GLU A 26 -6.565 -2.090 3.028 1.00 0.00 C ATOM 395 O GLU A 26 -6.227 -0.956 3.309 1.00 0.00 O ATOM 396 CB GLU A 26 -8.354 -3.432 4.187 1.00 0.00 C ATOM 397 CG GLU A 26 -9.126 -2.664 5.261 1.00 0.00 C ATOM 398 CD GLU A 26 -10.590 -2.528 4.840 1.00 0.00 C ATOM 399 OE1 GLU A 26 -11.105 -3.462 4.246 1.00 0.00 O ATOM 400 OE2 GLU A 26 -11.172 -1.493 5.117 1.00 0.00 O ATOM 0 H GLU A 26 -8.483 -4.292 1.947 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.634 -1.588 3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.942 -4.281 3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.431 -3.834 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.058 -3.186 6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.685 -1.678 5.405 1.00 0.00 H new ATOM 407 N ALA A 27 -5.687 -3.009 2.702 1.00 0.00 N ATOM 408 CA ALA A 27 -4.226 -2.682 2.669 1.00 0.00 C ATOM 409 C ALA A 27 -3.983 -1.513 1.712 1.00 0.00 C ATOM 410 O ALA A 27 -3.216 -0.614 1.997 1.00 0.00 O ATOM 411 CB ALA A 27 -3.533 -3.943 2.148 1.00 0.00 C ATOM 0 H ALA A 27 -5.919 -3.972 2.457 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.848 -2.393 3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.457 -3.773 2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.738 -4.775 2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.909 -4.180 1.153 1.00 0.00 H new ATOM 417 N GLU A 28 -4.653 -1.517 0.583 1.00 0.00 N ATOM 418 CA GLU A 28 -4.483 -0.399 -0.393 1.00 0.00 C ATOM 419 C GLU A 28 -4.891 0.919 0.268 1.00 0.00 C ATOM 420 O GLU A 28 -4.255 1.933 0.079 1.00 0.00 O ATOM 421 CB GLU A 28 -5.407 -0.728 -1.567 1.00 0.00 C ATOM 422 CG GLU A 28 -4.977 0.082 -2.794 1.00 0.00 C ATOM 423 CD GLU A 28 -6.146 0.184 -3.775 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.541 -0.842 -4.305 1.00 0.00 O ATOM 425 OE2 GLU A 28 -6.626 1.287 -3.981 1.00 0.00 O ATOM 0 H GLU A 28 -5.308 -2.245 0.298 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.451 -0.292 -0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.366 -1.794 -1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.440 -0.496 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.655 1.078 -2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.124 -0.395 -3.277 1.00 0.00 H new ATOM 432 N LYS A 29 -5.935 0.901 1.063 1.00 0.00 N ATOM 433 CA LYS A 29 -6.365 2.152 1.759 1.00 0.00 C ATOM 434 C LYS A 29 -5.318 2.524 2.812 1.00 0.00 C ATOM 435 O LYS A 29 -4.853 3.649 2.874 1.00 0.00 O ATOM 436 CB LYS A 29 -7.704 1.814 2.418 1.00 0.00 C ATOM 437 CG LYS A 29 -8.798 1.727 1.346 1.00 0.00 C ATOM 438 CD LYS A 29 -10.073 2.408 1.852 1.00 0.00 C ATOM 439 CE LYS A 29 -9.854 3.922 1.912 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.292 4.429 0.581 1.00 0.00 N ATOM 0 H LYS A 29 -6.504 0.077 1.258 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.465 2.999 1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.629 0.867 2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.961 2.576 3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.459 2.205 0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.003 0.684 1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.908 2.177 1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.333 2.028 2.840 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.435 4.373 2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.808 4.162 2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.171 5.461 0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.717 3.988 -0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.294 4.192 0.432 1.00 0.00 H new ATOM 454 N ILE A 30 -4.923 1.572 3.626 1.00 0.00 N ATOM 455 CA ILE A 30 -3.883 1.849 4.666 1.00 0.00 C ATOM 456 C ILE A 30 -2.598 2.316 3.975 1.00 0.00 C ATOM 457 O ILE A 30 -1.897 3.184 4.459 1.00 0.00 O ATOM 458 CB ILE A 30 -3.656 0.510 5.384 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.950 0.068 6.074 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.552 0.663 6.438 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.781 -1.359 6.597 1.00 0.00 C ATOM 0 H ILE A 30 -5.277 0.615 3.614 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.185 2.627 5.368 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.357 -0.238 4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.186 0.743 6.896 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.784 0.115 5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.397 -0.290 6.943 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.626 0.972 5.953 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.848 1.416 7.168 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.700 -1.677 7.089 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.564 -2.028 5.764 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.958 -1.390 7.311 1.00 0.00 H new ATOM 473 N PHE A 31 -2.303 1.743 2.838 1.00 0.00 N ATOM 474 CA PHE A 31 -1.079 2.143 2.086 1.00 0.00 C ATOM 475 C PHE A 31 -1.324 3.474 1.376 1.00 0.00 C ATOM 476 O PHE A 31 -0.453 4.320 1.305 1.00 0.00 O ATOM 477 CB PHE A 31 -0.851 1.021 1.068 1.00 0.00 C ATOM 478 CG PHE A 31 -0.072 -0.104 1.707 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.116 0.163 2.401 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.539 -1.417 1.602 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.836 -0.883 2.986 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.180 -2.465 2.187 1.00 0.00 C ATOM 483 CZ PHE A 31 1.368 -2.198 2.880 1.00 0.00 C ATOM 0 H PHE A 31 -2.860 1.012 2.396 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.214 2.278 2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.809 0.650 0.703 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.308 1.406 0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.476 1.178 2.484 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.455 -1.623 1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.752 -0.677 3.519 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.181 -3.480 2.104 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.923 -3.007 3.332 1.00 0.00 H new ATOM 493 N LYS A 32 -2.512 3.666 0.855 1.00 0.00 N ATOM 494 CA LYS A 32 -2.832 4.939 0.152 1.00 0.00 C ATOM 495 C LYS A 32 -3.087 6.079 1.150 1.00 0.00 C ATOM 496 O LYS A 32 -3.328 7.203 0.754 1.00 0.00 O ATOM 497 CB LYS A 32 -4.084 4.656 -0.674 1.00 0.00 C ATOM 498 CG LYS A 32 -3.693 3.883 -1.936 1.00 0.00 C ATOM 499 CD LYS A 32 -4.928 3.680 -2.818 1.00 0.00 C ATOM 500 CE LYS A 32 -5.107 4.893 -3.734 1.00 0.00 C ATOM 501 NZ LYS A 32 -6.539 4.856 -4.147 1.00 0.00 N ATOM 0 H LYS A 32 -3.275 2.990 0.889 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.000 5.261 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.798 4.079 -0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.575 5.591 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.927 4.429 -2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.264 2.918 -1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.817 2.774 -3.414 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.814 3.546 -2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.871 5.820 -3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.445 4.836 -4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.739 5.658 -4.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.733 3.965 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.145 4.919 -3.304 1.00 0.00 H new ATOM 515 N GLN A 33 -2.985 5.819 2.431 1.00 0.00 N ATOM 516 CA GLN A 33 -3.161 6.912 3.437 1.00 0.00 C ATOM 517 C GLN A 33 -1.775 7.165 3.998 1.00 0.00 C ATOM 518 O GLN A 33 -1.300 8.277 4.098 1.00 0.00 O ATOM 519 CB GLN A 33 -4.102 6.355 4.505 1.00 0.00 C ATOM 520 CG GLN A 33 -5.558 6.458 4.023 1.00 0.00 C ATOM 521 CD GLN A 33 -6.418 7.125 5.101 1.00 0.00 C ATOM 522 OE1 GLN A 33 -7.076 6.455 5.871 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.439 8.428 5.186 1.00 0.00 N ATOM 0 H GLN A 33 -2.788 4.898 2.823 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.576 7.839 3.041 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.852 5.315 4.716 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.978 6.908 5.436 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.605 7.035 3.100 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.947 5.465 3.798 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.886 8.990 4.539 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.008 8.883 5.899 1.00 0.00 H new ATOM 532 N TYR A 34 -1.108 6.086 4.289 1.00 0.00 N ATOM 533 CA TYR A 34 0.296 6.118 4.771 1.00 0.00 C ATOM 534 C TYR A 34 1.148 6.944 3.782 1.00 0.00 C ATOM 535 O TYR A 34 1.933 7.787 4.169 1.00 0.00 O ATOM 536 CB TYR A 34 0.654 4.617 4.745 1.00 0.00 C ATOM 537 CG TYR A 34 2.147 4.386 4.592 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.021 4.748 5.624 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.649 3.811 3.418 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.398 4.535 5.480 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.024 3.598 3.275 1.00 0.00 C ATOM 542 CZ TYR A 34 4.899 3.960 4.307 1.00 0.00 C ATOM 543 OH TYR A 34 6.255 3.749 4.166 1.00 0.00 O ATOM 0 H TYR A 34 -1.496 5.146 4.208 1.00 0.00 H new ATOM 0 HA TYR A 34 0.457 6.575 5.747 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.308 4.147 5.665 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.127 4.134 3.922 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.634 5.191 6.530 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.974 3.532 2.622 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.073 4.815 6.275 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.411 3.155 2.369 1.00 0.00 H new ATOM 0 HH TYR A 34 6.421 3.214 3.362 1.00 0.00 H new ATOM 553 N ALA A 35 0.973 6.697 2.505 1.00 0.00 N ATOM 554 CA ALA A 35 1.741 7.454 1.470 1.00 0.00 C ATOM 555 C ALA A 35 1.331 8.929 1.493 1.00 0.00 C ATOM 556 O ALA A 35 2.150 9.807 1.676 1.00 0.00 O ATOM 557 CB ALA A 35 1.349 6.825 0.130 1.00 0.00 C ATOM 0 H ALA A 35 0.327 5.999 2.135 1.00 0.00 H new ATOM 0 HA ALA A 35 2.816 7.406 1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.876 7.332 -0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.617 5.769 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.274 6.926 -0.019 1.00 0.00 H new ATOM 563 N ASN A 36 0.065 9.198 1.307 1.00 0.00 N ATOM 564 CA ASN A 36 -0.422 10.615 1.308 1.00 0.00 C ATOM 565 C ASN A 36 -0.088 11.304 2.635 1.00 0.00 C ATOM 566 O ASN A 36 0.400 12.418 2.658 1.00 0.00 O ATOM 567 CB ASN A 36 -1.937 10.518 1.127 1.00 0.00 C ATOM 568 CG ASN A 36 -2.258 10.228 -0.341 1.00 0.00 C ATOM 569 OD1 ASN A 36 -2.510 11.135 -1.109 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.261 8.994 -0.765 1.00 0.00 N ATOM 0 H ASN A 36 -0.658 8.495 1.153 1.00 0.00 H new ATOM 0 HA ASN A 36 0.050 11.204 0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.340 9.728 1.761 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.411 11.449 1.437 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.475 8.791 -1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.049 8.233 -0.120 1.00 0.00 H new ATOM 577 N ASP A 37 -0.350 10.649 3.738 1.00 0.00 N ATOM 578 CA ASP A 37 -0.053 11.261 5.076 1.00 0.00 C ATOM 579 C ASP A 37 1.411 11.708 5.160 1.00 0.00 C ATOM 580 O ASP A 37 1.759 12.584 5.930 1.00 0.00 O ATOM 581 CB ASP A 37 -0.336 10.157 6.098 1.00 0.00 C ATOM 582 CG ASP A 37 -0.196 10.722 7.513 1.00 0.00 C ATOM 583 OD1 ASP A 37 -0.819 11.734 7.791 1.00 0.00 O ATOM 584 OD2 ASP A 37 0.530 10.132 8.296 1.00 0.00 O ATOM 0 H ASP A 37 -0.758 9.715 3.773 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.660 12.149 5.255 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.341 9.760 5.951 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.358 9.329 5.956 1.00 0.00 H new ATOM 589 N ASN A 38 2.259 11.113 4.370 1.00 0.00 N ATOM 590 CA ASN A 38 3.695 11.484 4.381 1.00 0.00 C ATOM 591 C ASN A 38 4.038 12.308 3.132 1.00 0.00 C ATOM 592 O ASN A 38 4.909 13.156 3.160 1.00 0.00 O ATOM 593 CB ASN A 38 4.449 10.152 4.390 1.00 0.00 C ATOM 594 CG ASN A 38 5.959 10.411 4.413 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.490 11.053 3.528 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.675 9.936 5.394 1.00 0.00 N ATOM 0 H ASN A 38 2.012 10.376 3.709 1.00 0.00 H new ATOM 0 HA ASN A 38 3.961 12.099 5.241 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.158 9.565 5.261 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.184 9.568 3.509 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.681 10.103 5.419 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.229 9.397 6.137 1.00 0.00 H new ATOM 603 N GLY A 39 3.350 12.068 2.042 1.00 0.00 N ATOM 604 CA GLY A 39 3.624 12.841 0.792 1.00 0.00 C ATOM 605 C GLY A 39 4.117 11.901 -0.313 1.00 0.00 C ATOM 606 O GLY A 39 4.915 12.284 -1.148 1.00 0.00 O ATOM 0 H GLY A 39 2.610 11.370 1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.719 13.353 0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.372 13.609 0.987 1.00 0.00 H new ATOM 610 N ILE A 40 3.647 10.677 -0.328 1.00 0.00 N ATOM 611 CA ILE A 40 4.085 9.715 -1.382 1.00 0.00 C ATOM 612 C ILE A 40 2.974 9.601 -2.433 1.00 0.00 C ATOM 613 O ILE A 40 2.249 8.626 -2.508 1.00 0.00 O ATOM 614 CB ILE A 40 4.355 8.399 -0.617 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.757 8.464 -0.015 1.00 0.00 C ATOM 616 CG2 ILE A 40 4.264 7.156 -1.518 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.770 9.491 1.106 1.00 0.00 C ATOM 0 H ILE A 40 2.978 10.304 0.346 1.00 0.00 H new ATOM 0 HA ILE A 40 4.979 10.013 -1.929 1.00 0.00 H new ATOM 0 HB ILE A 40 3.589 8.303 0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.047 7.486 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.483 8.735 -0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.463 6.262 -0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.265 7.091 -1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.000 7.232 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.768 9.543 1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.497 10.468 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.054 9.200 1.875 1.00 0.00 H new ATOM 629 N ASP A 41 2.852 10.610 -3.246 1.00 0.00 N ATOM 630 CA ASP A 41 1.812 10.598 -4.318 1.00 0.00 C ATOM 631 C ASP A 41 2.274 9.680 -5.445 1.00 0.00 C ATOM 632 O ASP A 41 3.193 8.900 -5.272 1.00 0.00 O ATOM 633 CB ASP A 41 1.717 12.048 -4.801 1.00 0.00 C ATOM 634 CG ASP A 41 1.102 12.912 -3.699 1.00 0.00 C ATOM 635 OD1 ASP A 41 1.730 13.053 -2.662 1.00 0.00 O ATOM 636 OD2 ASP A 41 0.013 13.420 -3.911 1.00 0.00 O ATOM 0 H ASP A 41 3.430 11.450 -3.217 1.00 0.00 H new ATOM 0 HA ASP A 41 0.845 10.234 -3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.707 12.422 -5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.108 12.103 -5.704 1.00 0.00 H new ATOM 641 N GLY A 42 1.664 9.772 -6.598 1.00 0.00 N ATOM 642 CA GLY A 42 2.092 8.910 -7.735 1.00 0.00 C ATOM 643 C GLY A 42 0.999 7.919 -8.130 1.00 0.00 C ATOM 644 O GLY A 42 -0.102 7.953 -7.615 1.00 0.00 O ATOM 0 H GLY A 42 0.890 10.405 -6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.344 9.535 -8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.996 8.366 -7.460 1.00 0.00 H new ATOM 648 N GLU A 43 1.311 7.022 -9.040 1.00 0.00 N ATOM 649 CA GLU A 43 0.302 6.007 -9.471 1.00 0.00 C ATOM 650 C GLU A 43 0.122 4.963 -8.365 1.00 0.00 C ATOM 651 O GLU A 43 0.728 5.060 -7.322 1.00 0.00 O ATOM 652 CB GLU A 43 0.891 5.362 -10.726 1.00 0.00 C ATOM 653 CG GLU A 43 -0.242 4.905 -11.648 1.00 0.00 C ATOM 654 CD GLU A 43 0.228 4.968 -13.102 1.00 0.00 C ATOM 655 OE1 GLU A 43 0.803 3.994 -13.560 1.00 0.00 O ATOM 656 OE2 GLU A 43 0.003 5.987 -13.733 1.00 0.00 O ATOM 0 H GLU A 43 2.219 6.952 -9.499 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.676 6.447 -9.668 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.532 6.074 -11.246 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.515 4.512 -10.451 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.543 3.888 -11.396 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.117 5.540 -11.509 1.00 0.00 H new ATOM 663 N TRP A 44 -0.703 3.971 -8.591 1.00 0.00 N ATOM 664 CA TRP A 44 -0.928 2.909 -7.555 1.00 0.00 C ATOM 665 C TRP A 44 -1.309 1.599 -8.237 1.00 0.00 C ATOM 666 O TRP A 44 -2.202 1.557 -9.064 1.00 0.00 O ATOM 667 CB TRP A 44 -2.084 3.423 -6.696 1.00 0.00 C ATOM 668 CG TRP A 44 -1.534 4.204 -5.552 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.298 5.537 -5.545 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.143 3.709 -4.251 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.776 5.886 -4.311 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.662 4.789 -3.478 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.159 2.430 -3.677 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.209 4.605 -2.172 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.705 2.238 -2.363 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.229 3.324 -1.613 1.00 0.00 C ATOM 0 H TRP A 44 -1.235 3.848 -9.453 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.038 2.717 -6.956 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.747 4.049 -7.294 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.680 2.587 -6.329 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.485 6.215 -6.365 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.509 6.835 -4.049 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.522 1.589 -4.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.154 5.445 -1.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.722 1.250 -1.927 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.122 3.170 -0.603 1.00 0.00 H new ATOM 687 N THR A 45 -0.632 0.534 -7.904 1.00 0.00 N ATOM 688 CA THR A 45 -0.941 -0.783 -8.539 1.00 0.00 C ATOM 689 C THR A 45 -0.808 -1.888 -7.503 1.00 0.00 C ATOM 690 O THR A 45 0.125 -1.900 -6.728 1.00 0.00 O ATOM 691 CB THR A 45 0.101 -0.984 -9.659 1.00 0.00 C ATOM 692 OG1 THR A 45 1.336 -1.403 -9.093 1.00 0.00 O ATOM 693 CG2 THR A 45 0.318 0.318 -10.429 1.00 0.00 C ATOM 0 H THR A 45 0.123 0.517 -7.219 1.00 0.00 H new ATOM 0 HA THR A 45 -1.955 -0.808 -8.937 1.00 0.00 H new ATOM 0 HB THR A 45 -0.270 -1.745 -10.345 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.996 -1.532 -9.806 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.056 0.157 -11.215 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.624 0.638 -10.875 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.677 1.089 -9.747 1.00 0.00 H new ATOM 701 N TYR A 46 -1.726 -2.815 -7.495 1.00 0.00 N ATOM 702 CA TYR A 46 -1.653 -3.935 -6.515 1.00 0.00 C ATOM 703 C TYR A 46 -1.015 -5.163 -7.184 1.00 0.00 C ATOM 704 O TYR A 46 -1.187 -5.397 -8.366 1.00 0.00 O ATOM 705 CB TYR A 46 -3.111 -4.209 -6.108 1.00 0.00 C ATOM 706 CG TYR A 46 -3.191 -5.498 -5.315 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.420 -5.652 -4.160 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.018 -6.541 -5.751 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.476 -6.846 -3.435 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.072 -7.738 -5.027 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.302 -7.890 -3.868 1.00 0.00 C ATOM 712 OH TYR A 46 -3.355 -9.071 -3.156 1.00 0.00 O ATOM 0 H TYR A 46 -2.526 -2.845 -8.127 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.042 -3.698 -5.644 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.493 -3.381 -5.512 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.739 -4.279 -6.996 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.780 -4.848 -3.827 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.613 -6.422 -6.644 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.882 -6.963 -2.541 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.708 -8.544 -5.363 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.978 -9.689 -3.593 1.00 0.00 H new ATOM 722 N ASP A 47 -0.292 -5.946 -6.426 1.00 0.00 N ATOM 723 CA ASP A 47 0.348 -7.166 -6.998 1.00 0.00 C ATOM 724 C ASP A 47 -0.234 -8.412 -6.331 1.00 0.00 C ATOM 725 O ASP A 47 0.143 -8.770 -5.229 1.00 0.00 O ATOM 726 CB ASP A 47 1.841 -7.038 -6.681 1.00 0.00 C ATOM 727 CG ASP A 47 2.394 -5.754 -7.305 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.034 -5.465 -8.434 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.170 -5.084 -6.643 1.00 0.00 O ATOM 0 H ASP A 47 -0.117 -5.792 -5.433 1.00 0.00 H new ATOM 0 HA ASP A 47 0.176 -7.256 -8.071 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.993 -7.024 -5.602 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.380 -7.903 -7.068 1.00 0.00 H new ATOM 734 N ASP A 48 -1.149 -9.076 -6.993 1.00 0.00 N ATOM 735 CA ASP A 48 -1.766 -10.307 -6.405 1.00 0.00 C ATOM 736 C ASP A 48 -0.769 -11.476 -6.383 1.00 0.00 C ATOM 737 O ASP A 48 -1.060 -12.532 -5.853 1.00 0.00 O ATOM 738 CB ASP A 48 -2.954 -10.633 -7.314 1.00 0.00 C ATOM 739 CG ASP A 48 -3.785 -11.752 -6.684 1.00 0.00 C ATOM 740 OD1 ASP A 48 -3.360 -12.893 -6.761 1.00 0.00 O ATOM 741 OD2 ASP A 48 -4.831 -11.449 -6.136 1.00 0.00 O ATOM 0 H ASP A 48 -1.496 -8.819 -7.917 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.069 -10.146 -5.371 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.570 -9.745 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.600 -10.939 -8.298 1.00 0.00 H new ATOM 746 N ALA A 49 0.405 -11.297 -6.939 1.00 0.00 N ATOM 747 CA ALA A 49 1.418 -12.391 -6.936 1.00 0.00 C ATOM 748 C ALA A 49 2.306 -12.266 -5.698 1.00 0.00 C ATOM 749 O ALA A 49 2.841 -13.241 -5.207 1.00 0.00 O ATOM 750 CB ALA A 49 2.237 -12.175 -8.211 1.00 0.00 C ATOM 0 H ALA A 49 0.703 -10.435 -7.396 1.00 0.00 H new ATOM 0 HA ALA A 49 0.966 -13.382 -6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.007 -12.943 -8.283 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.581 -12.236 -9.079 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.707 -11.192 -8.180 1.00 0.00 H new ATOM 756 N THR A 50 2.451 -11.069 -5.183 1.00 0.00 N ATOM 757 CA THR A 50 3.287 -10.868 -3.966 1.00 0.00 C ATOM 758 C THR A 50 2.494 -10.099 -2.902 1.00 0.00 C ATOM 759 O THR A 50 3.032 -9.713 -1.883 1.00 0.00 O ATOM 760 CB THR A 50 4.483 -10.045 -4.442 1.00 0.00 C ATOM 761 OG1 THR A 50 4.020 -8.831 -5.016 1.00 0.00 O ATOM 762 CG2 THR A 50 5.267 -10.840 -5.486 1.00 0.00 C ATOM 0 H THR A 50 2.023 -10.222 -5.557 1.00 0.00 H new ATOM 0 HA THR A 50 3.595 -11.811 -3.513 1.00 0.00 H new ATOM 0 HB THR A 50 5.133 -9.822 -3.596 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.786 -8.300 -5.321 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.120 -10.253 -5.825 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.621 -11.771 -5.044 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.620 -11.064 -6.334 1.00 0.00 H new ATOM 770 N LYS A 51 1.215 -9.865 -3.131 1.00 0.00 N ATOM 771 CA LYS A 51 0.384 -9.114 -2.133 1.00 0.00 C ATOM 772 C LYS A 51 1.033 -7.764 -1.815 1.00 0.00 C ATOM 773 O LYS A 51 1.053 -7.326 -0.680 1.00 0.00 O ATOM 774 CB LYS A 51 0.334 -10.001 -0.879 1.00 0.00 C ATOM 775 CG LYS A 51 -0.244 -11.381 -1.233 1.00 0.00 C ATOM 776 CD LYS A 51 -1.634 -11.542 -0.609 1.00 0.00 C ATOM 777 CE LYS A 51 -1.519 -12.274 0.735 1.00 0.00 C ATOM 778 NZ LYS A 51 -2.149 -13.606 0.509 1.00 0.00 N ATOM 0 H LYS A 51 0.714 -10.164 -3.968 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.617 -8.906 -2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.335 -10.113 -0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.279 -9.527 -0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.307 -11.491 -2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.420 -12.166 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.093 -10.564 -0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.283 -12.101 -1.283 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.477 -12.377 1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.030 -11.726 1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.107 -14.163 1.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.142 -13.477 0.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.638 -14.108 -0.245 1.00 0.00 H new ATOM 792 N THR A 52 1.572 -7.109 -2.814 1.00 0.00 N ATOM 793 CA THR A 52 2.232 -5.787 -2.575 1.00 0.00 C ATOM 794 C THR A 52 1.723 -4.739 -3.571 1.00 0.00 C ATOM 795 O THR A 52 1.480 -5.034 -4.725 1.00 0.00 O ATOM 796 CB THR A 52 3.724 -6.050 -2.791 1.00 0.00 C ATOM 797 OG1 THR A 52 4.151 -7.092 -1.925 1.00 0.00 O ATOM 798 CG2 THR A 52 4.517 -4.778 -2.492 1.00 0.00 C ATOM 0 H THR A 52 1.584 -7.431 -3.782 1.00 0.00 H new ATOM 0 HA THR A 52 2.020 -5.398 -1.579 1.00 0.00 H new ATOM 0 HB THR A 52 3.894 -6.346 -3.826 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.735 -7.936 -2.198 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.579 -4.967 -2.646 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.190 -3.980 -3.159 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.348 -4.479 -1.458 1.00 0.00 H new ATOM 806 N PHE A 53 1.573 -3.512 -3.133 1.00 0.00 N ATOM 807 CA PHE A 53 1.094 -2.439 -4.055 1.00 0.00 C ATOM 808 C PHE A 53 2.305 -1.665 -4.604 1.00 0.00 C ATOM 809 O PHE A 53 3.429 -2.104 -4.441 1.00 0.00 O ATOM 810 CB PHE A 53 0.189 -1.551 -3.198 1.00 0.00 C ATOM 811 CG PHE A 53 -1.057 -2.321 -2.810 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.995 -3.308 -1.814 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.279 -2.048 -3.442 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.151 -4.016 -1.454 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.432 -2.756 -3.077 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.367 -3.738 -2.085 1.00 0.00 C ATOM 0 H PHE A 53 1.762 -3.209 -2.177 1.00 0.00 H new ATOM 0 HA PHE A 53 0.551 -2.823 -4.918 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.722 -1.227 -2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.084 -0.652 -3.750 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.056 -3.522 -1.324 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.331 -1.291 -4.211 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.102 -4.776 -0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.372 -2.542 -3.563 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.257 -4.283 -1.806 1.00 0.00 H new ATOM 826 N THR A 54 2.110 -0.528 -5.250 1.00 0.00 N ATOM 827 CA THR A 54 3.277 0.227 -5.788 1.00 0.00 C ATOM 828 C THR A 54 2.859 1.663 -6.046 1.00 0.00 C ATOM 829 O THR A 54 1.994 1.926 -6.857 1.00 0.00 O ATOM 830 CB THR A 54 3.645 -0.468 -7.101 1.00 0.00 C ATOM 831 OG1 THR A 54 3.880 -1.849 -6.861 1.00 0.00 O ATOM 832 CG2 THR A 54 4.908 0.172 -7.681 1.00 0.00 C ATOM 0 H THR A 54 1.199 -0.103 -5.421 1.00 0.00 H new ATOM 0 HA THR A 54 4.122 0.242 -5.099 1.00 0.00 H new ATOM 0 HB THR A 54 2.824 -0.359 -7.810 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.272 -1.964 -5.970 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.170 -0.323 -8.616 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.726 1.230 -7.869 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.729 0.065 -6.972 1.00 0.00 H new ATOM 840 N VAL A 55 3.469 2.592 -5.368 1.00 0.00 N ATOM 841 CA VAL A 55 3.103 4.025 -5.578 1.00 0.00 C ATOM 842 C VAL A 55 4.262 4.743 -6.276 1.00 0.00 C ATOM 843 O VAL A 55 5.331 4.926 -5.730 1.00 0.00 O ATOM 844 CB VAL A 55 2.738 4.609 -4.182 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.702 4.135 -3.094 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.736 6.143 -4.220 1.00 0.00 C ATOM 0 H VAL A 55 4.203 2.426 -4.679 1.00 0.00 H new ATOM 0 HA VAL A 55 2.241 4.155 -6.232 1.00 0.00 H new ATOM 0 HB VAL A 55 1.740 4.245 -3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.410 4.566 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.669 3.048 -3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.715 4.453 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.478 6.531 -3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.726 6.501 -4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.002 6.488 -4.949 1.00 0.00 H new ATOM 856 N THR A 56 4.039 5.110 -7.510 1.00 0.00 N ATOM 857 CA THR A 56 5.096 5.782 -8.325 1.00 0.00 C ATOM 858 C THR A 56 4.912 7.316 -8.274 1.00 0.00 C ATOM 859 O THR A 56 4.247 7.911 -9.103 1.00 0.00 O ATOM 860 CB THR A 56 4.894 5.148 -9.735 1.00 0.00 C ATOM 861 OG1 THR A 56 5.848 4.113 -9.914 1.00 0.00 O ATOM 862 CG2 THR A 56 5.046 6.158 -10.880 1.00 0.00 C ATOM 0 H THR A 56 3.154 4.970 -7.997 1.00 0.00 H new ATOM 0 HA THR A 56 6.118 5.637 -7.976 1.00 0.00 H new ATOM 0 HB THR A 56 3.873 4.768 -9.771 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.718 4.505 -10.138 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.894 5.653 -11.834 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.306 6.950 -10.767 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.047 6.590 -10.854 1.00 0.00 H new ATOM 870 N GLU A 57 5.492 7.961 -7.290 1.00 0.00 N ATOM 871 CA GLU A 57 5.350 9.451 -7.172 1.00 0.00 C ATOM 872 C GLU A 57 5.900 10.136 -8.428 1.00 0.00 C ATOM 873 O GLU A 57 7.002 9.798 -8.828 1.00 0.00 O ATOM 874 CB GLU A 57 6.181 9.840 -5.947 1.00 0.00 C ATOM 875 CG GLU A 57 6.031 11.340 -5.685 1.00 0.00 C ATOM 876 CD GLU A 57 7.004 11.767 -4.584 1.00 0.00 C ATOM 877 OE1 GLU A 57 8.166 11.971 -4.895 1.00 0.00 O ATOM 878 OE2 GLU A 57 6.571 11.883 -3.450 1.00 0.00 O ATOM 879 OXT GLU A 57 5.209 10.986 -8.966 1.00 0.00 O ATOM 0 H GLU A 57 6.057 7.522 -6.563 1.00 0.00 H new ATOM 0 HA GLU A 57 4.308 9.756 -7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.852 9.273 -5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.229 9.592 -6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.230 11.901 -6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.007 11.567 -5.388 1.00 0.00 H new TER 886 GLU A 57