USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 532 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 Single : A 1 MET CE :methyl -162:sc= -0.108 (180deg=-0.559) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.153 (180deg=-0.158) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 161:sc= -0.152 (180deg=-0.596) USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= 0.175 (180deg=-0.856!) USER MOD Single : A 8 THR OG1 : rot -19:sc= 0.504 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.0691 X(o=-0.069,f=-0.34) USER MOD Single : A 13 SER OG : rot 140:sc= -1.38 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0185) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -98:sc= -0.223 (180deg=-1.99!) USER MOD Single : A 30 ASN : amide:sc= -3.28! K(o=-3.3!,f=-0.061) USER MOD Single : A 37 LYS NZ :NH3+ -170:sc= -0.249 (180deg=-0.561) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.34 X(o=-1.3,f=-0.96!) USER MOD Single : A 45 GLN : amide:sc= -1.01 K(o=-1,f=-0.00054) USER MOD Single : A 51 MET CE :methyl -121:sc= 0 (180deg=-1.7!) USER MOD Single : A 55 THR OG1 : rot -92:sc= 0.765 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= -0.0988 (180deg=-0.164) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.220 0.665 -0.228 1.00 0.00 N ATOM 2 CA MET A 1 2.422 0.583 -1.476 1.00 0.00 C ATOM 3 C MET A 1 2.304 -0.868 -1.961 1.00 0.00 C ATOM 4 O MET A 1 1.712 -1.136 -3.003 1.00 0.00 O ATOM 5 CB MET A 1 3.066 1.457 -2.567 1.00 0.00 C ATOM 6 CG MET A 1 2.257 1.561 -3.858 1.00 0.00 C ATOM 7 SD MET A 1 3.112 2.493 -5.147 1.00 0.00 S ATOM 8 CE MET A 1 3.296 4.088 -4.351 1.00 0.00 C ATOM 0 H1 MET A 1 3.299 1.659 0.069 1.00 0.00 H new ATOM 0 H2 MET A 1 2.751 0.116 0.521 1.00 0.00 H new ATOM 0 H3 MET A 1 4.170 0.278 -0.398 1.00 0.00 H new ATOM 0 HA MET A 1 1.418 0.951 -1.266 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.219 2.460 -2.168 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.051 1.054 -2.802 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.038 0.559 -4.226 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.301 2.038 -3.645 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.505 4.848 -5.104 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.375 4.341 -3.826 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.120 4.046 -3.639 1.00 0.00 H new ATOM 18 N LYS A 2 2.847 -1.807 -1.194 1.00 0.00 N ATOM 19 CA LYS A 2 2.870 -3.210 -1.590 1.00 0.00 C ATOM 20 C LYS A 2 1.915 -4.045 -0.740 1.00 0.00 C ATOM 21 O LYS A 2 1.890 -3.922 0.492 1.00 0.00 O ATOM 22 CB LYS A 2 4.298 -3.762 -1.479 1.00 0.00 C ATOM 23 CG LYS A 2 4.383 -5.280 -1.590 1.00 0.00 C ATOM 24 CD LYS A 2 5.824 -5.767 -1.699 1.00 0.00 C ATOM 25 CE LYS A 2 6.469 -5.329 -3.008 1.00 0.00 C ATOM 26 NZ LYS A 2 7.869 -5.806 -3.129 1.00 0.00 N ATOM 0 H LYS A 2 3.279 -1.620 -0.289 1.00 0.00 H new ATOM 0 HA LYS A 2 2.537 -3.274 -2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.912 -3.315 -2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.724 -3.453 -0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.912 -5.734 -0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.822 -5.611 -2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.403 -5.380 -0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.847 -6.854 -1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.883 -5.710 -3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.450 -4.241 -3.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.268 -5.485 -4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.435 -5.423 -2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.886 -6.845 -3.092 1.00 0.00 H new ATOM 40 N VAL A 3 1.129 -4.881 -1.413 1.00 0.00 N ATOM 41 CA VAL A 3 0.253 -5.837 -0.753 1.00 0.00 C ATOM 42 C VAL A 3 0.194 -7.132 -1.567 1.00 0.00 C ATOM 43 O VAL A 3 0.070 -7.100 -2.795 1.00 0.00 O ATOM 44 CB VAL A 3 -1.176 -5.266 -0.558 1.00 0.00 C ATOM 45 CG1 VAL A 3 -1.863 -5.004 -1.898 1.00 0.00 C ATOM 46 CG2 VAL A 3 -2.011 -6.194 0.317 1.00 0.00 C ATOM 0 H VAL A 3 1.083 -4.913 -2.431 1.00 0.00 H new ATOM 0 HA VAL A 3 0.664 -6.043 0.235 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.086 -4.307 -0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.862 -4.605 -1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.280 -4.284 -2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.938 -5.937 -2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.010 -5.776 0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.084 -7.173 -0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.537 -6.298 1.293 1.00 0.00 H new ATOM 56 N MET A 4 0.315 -8.266 -0.888 1.00 0.00 N ATOM 57 CA MET A 4 0.288 -9.569 -1.545 1.00 0.00 C ATOM 58 C MET A 4 -1.063 -10.242 -1.326 1.00 0.00 C ATOM 59 O MET A 4 -1.424 -10.580 -0.196 1.00 0.00 O ATOM 60 CB MET A 4 1.420 -10.459 -1.011 1.00 0.00 C ATOM 61 CG MET A 4 1.485 -11.834 -1.668 1.00 0.00 C ATOM 62 SD MET A 4 2.862 -12.835 -1.069 1.00 0.00 S ATOM 63 CE MET A 4 2.474 -12.950 0.676 1.00 0.00 C ATOM 0 H MET A 4 0.434 -8.310 0.124 1.00 0.00 H new ATOM 0 HA MET A 4 0.436 -9.424 -2.615 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.372 -9.949 -1.162 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.293 -10.586 0.064 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.550 -12.364 -1.484 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.574 -11.711 -2.747 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.015 -13.788 1.115 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.768 -12.027 1.176 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.402 -13.105 0.801 1.00 0.00 H new ATOM 73 N ILE A 5 -1.815 -10.419 -2.407 1.00 0.00 N ATOM 74 CA ILE A 5 -3.129 -11.046 -2.335 1.00 0.00 C ATOM 75 C ILE A 5 -3.000 -12.556 -2.521 1.00 0.00 C ATOM 76 O ILE A 5 -2.619 -13.027 -3.601 1.00 0.00 O ATOM 77 CB ILE A 5 -4.092 -10.473 -3.408 1.00 0.00 C ATOM 78 CG1 ILE A 5 -4.143 -8.935 -3.328 1.00 0.00 C ATOM 79 CG2 ILE A 5 -5.492 -11.071 -3.252 1.00 0.00 C ATOM 80 CD1 ILE A 5 -4.627 -8.398 -1.996 1.00 0.00 C ATOM 0 H ILE A 5 -1.535 -10.136 -3.346 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.545 -10.830 -1.351 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.711 -10.750 -4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.147 -8.539 -3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.797 -8.563 -4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.152 -10.656 -4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.440 -12.154 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.883 -10.830 -2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.633 -7.308 -2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.636 -8.762 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.960 -8.737 -1.203 1.00 0.00 H new ATOM 92 N ARG A 6 -3.365 -13.309 -1.489 1.00 0.00 N ATOM 93 CA ARG A 6 -3.205 -14.761 -1.485 1.00 0.00 C ATOM 94 C ARG A 6 -4.489 -15.433 -1.955 1.00 0.00 C ATOM 95 O ARG A 6 -5.593 -14.926 -1.729 1.00 0.00 O ATOM 96 CB ARG A 6 -2.849 -15.262 -0.076 1.00 0.00 C ATOM 97 CG ARG A 6 -1.469 -14.835 0.422 1.00 0.00 C ATOM 98 CD ARG A 6 -1.206 -15.336 1.840 1.00 0.00 C ATOM 99 NE ARG A 6 -1.447 -16.776 1.960 1.00 0.00 N ATOM 100 CZ ARG A 6 -1.402 -17.460 3.106 1.00 0.00 C ATOM 101 NH1 ARG A 6 -1.055 -16.862 4.237 1.00 0.00 N ATOM 102 NH2 ARG A 6 -1.701 -18.750 3.113 1.00 0.00 N ATOM 0 H ARG A 6 -3.778 -12.934 -0.635 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.394 -15.017 -2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.601 -14.900 0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.903 -16.351 -0.068 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.703 -15.222 -0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.393 -13.748 0.399 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.176 -15.115 2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.847 -14.800 2.540 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.665 -17.293 1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.819 -15.870 4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.024 -17.394 5.107 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.964 -19.217 2.245 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.668 -19.276 3.986 1.00 0.00 H new ATOM 116 N LYS A 7 -4.337 -16.570 -2.623 1.00 0.00 N ATOM 117 CA LYS A 7 -5.466 -17.283 -3.207 1.00 0.00 C ATOM 118 C LYS A 7 -5.557 -18.695 -2.637 1.00 0.00 C ATOM 119 O LYS A 7 -4.544 -19.286 -2.250 1.00 0.00 O ATOM 120 CB LYS A 7 -5.321 -17.357 -4.731 1.00 0.00 C ATOM 121 CG LYS A 7 -4.953 -16.035 -5.395 1.00 0.00 C ATOM 122 CD LYS A 7 -5.975 -14.934 -5.124 1.00 0.00 C ATOM 123 CE LYS A 7 -5.686 -13.694 -5.961 1.00 0.00 C ATOM 124 NZ LYS A 7 -4.249 -13.308 -5.903 1.00 0.00 N ATOM 0 H LYS A 7 -3.435 -17.021 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.377 -16.738 -2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.559 -18.097 -4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.259 -17.714 -5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.975 -15.713 -5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.865 -16.186 -6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.977 -15.301 -5.348 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.960 -14.673 -4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.970 -13.881 -6.997 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.299 -12.866 -5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.147 -12.307 -6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.890 -13.450 -4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.704 -13.897 -6.565 1.00 0.00 H new ATOM 138 N THR A 8 -6.771 -19.226 -2.599 1.00 0.00 N ATOM 139 CA THR A 8 -7.037 -20.568 -2.095 1.00 0.00 C ATOM 140 C THR A 8 -8.383 -21.044 -2.649 1.00 0.00 C ATOM 141 O THR A 8 -9.158 -20.227 -3.155 1.00 0.00 O ATOM 142 CB THR A 8 -7.054 -20.589 -0.540 1.00 0.00 C ATOM 143 OG1 THR A 8 -5.818 -20.070 -0.030 1.00 0.00 O ATOM 144 CG2 THR A 8 -7.265 -21.997 0.012 1.00 0.00 C ATOM 0 H THR A 8 -7.606 -18.735 -2.919 1.00 0.00 H new ATOM 0 HA THR A 8 -6.242 -21.238 -2.424 1.00 0.00 H new ATOM 0 HB THR A 8 -7.889 -19.967 -0.218 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.133 -20.109 -0.730 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.270 -21.964 1.101 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.218 -22.388 -0.343 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.458 -22.646 -0.328 1.00 0.00 H new ATOM 152 N ALA A 9 -8.646 -22.354 -2.572 1.00 0.00 N ATOM 153 CA ALA A 9 -9.904 -22.945 -3.051 1.00 0.00 C ATOM 154 C ALA A 9 -11.115 -22.058 -2.730 1.00 0.00 C ATOM 155 O ALA A 9 -11.993 -21.863 -3.570 1.00 0.00 O ATOM 156 CB ALA A 9 -10.090 -24.336 -2.451 1.00 0.00 C ATOM 0 H ALA A 9 -7.996 -23.034 -2.177 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.840 -23.025 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.025 -24.766 -2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.258 -24.975 -2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.120 -24.262 -1.364 1.00 0.00 H new ATOM 162 N THR A 10 -11.143 -21.513 -1.516 1.00 0.00 N ATOM 163 CA THR A 10 -12.196 -20.581 -1.115 1.00 0.00 C ATOM 164 C THR A 10 -11.650 -19.530 -0.145 1.00 0.00 C ATOM 165 O THR A 10 -12.085 -18.378 -0.154 1.00 0.00 O ATOM 166 CB THR A 10 -13.402 -21.320 -0.475 1.00 0.00 C ATOM 167 OG1 THR A 10 -14.468 -20.396 -0.196 1.00 0.00 O ATOM 168 CG2 THR A 10 -12.999 -22.041 0.811 1.00 0.00 C ATOM 0 H THR A 10 -10.449 -21.700 -0.792 1.00 0.00 H new ATOM 0 HA THR A 10 -12.547 -20.081 -2.018 1.00 0.00 H new ATOM 0 HB THR A 10 -13.747 -22.065 -1.192 1.00 0.00 H new ATOM 0 HG1 THR A 10 -15.221 -20.877 0.206 1.00 0.00 H new ATOM 0 HG21 THR A 10 -13.868 -22.547 1.232 1.00 0.00 H new ATOM 0 HG22 THR A 10 -12.224 -22.774 0.589 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.618 -21.316 1.530 1.00 0.00 H new ATOM 176 N GLY A 11 -10.677 -19.930 0.674 1.00 0.00 N ATOM 177 CA GLY A 11 -10.112 -19.034 1.671 1.00 0.00 C ATOM 178 C GLY A 11 -9.240 -17.947 1.066 1.00 0.00 C ATOM 179 O GLY A 11 -8.014 -18.023 1.124 1.00 0.00 O ATOM 0 H GLY A 11 -10.268 -20.865 0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.921 -18.571 2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.521 -19.614 2.379 1.00 0.00 H new ATOM 183 N HIS A 12 -9.875 -16.944 0.468 1.00 0.00 N ATOM 184 CA HIS A 12 -9.159 -15.790 -0.068 1.00 0.00 C ATOM 185 C HIS A 12 -8.572 -14.975 1.085 1.00 0.00 C ATOM 186 O HIS A 12 -9.237 -14.778 2.103 1.00 0.00 O ATOM 187 CB HIS A 12 -10.103 -14.913 -0.905 1.00 0.00 C ATOM 188 CG HIS A 12 -10.695 -15.607 -2.101 1.00 0.00 C ATOM 189 ND1 HIS A 12 -11.944 -16.193 -2.096 1.00 0.00 N ATOM 190 CD2 HIS A 12 -10.212 -15.779 -3.355 1.00 0.00 C ATOM 191 CE1 HIS A 12 -12.201 -16.692 -3.291 1.00 0.00 C ATOM 192 NE2 HIS A 12 -11.168 -16.452 -4.075 1.00 0.00 N ATOM 0 H HIS A 12 -10.886 -16.907 0.342 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.353 -16.140 -0.713 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.913 -14.560 -0.267 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.557 -14.033 -1.244 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.251 -15.448 -3.721 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -13.105 -17.209 -3.578 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.092 -16.722 -5.056 1.00 0.00 H new ATOM 201 N SER A 13 -7.337 -14.509 0.931 1.00 0.00 N ATOM 202 CA SER A 13 -6.665 -13.748 1.983 1.00 0.00 C ATOM 203 C SER A 13 -5.767 -12.663 1.385 1.00 0.00 C ATOM 204 O SER A 13 -5.444 -12.698 0.194 1.00 0.00 O ATOM 205 CB SER A 13 -5.856 -14.700 2.873 1.00 0.00 C ATOM 206 OG SER A 13 -5.051 -15.568 2.092 1.00 0.00 O ATOM 0 H SER A 13 -6.779 -14.644 0.088 1.00 0.00 H new ATOM 0 HA SER A 13 -7.419 -13.251 2.593 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.225 -14.123 3.549 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.533 -15.287 3.493 1.00 0.00 H new ATOM 0 HG SER A 13 -4.176 -15.676 2.520 1.00 0.00 H new ATOM 212 N ALA A 14 -5.384 -11.690 2.209 1.00 0.00 N ATOM 213 CA ALA A 14 -4.525 -10.592 1.770 1.00 0.00 C ATOM 214 C ALA A 14 -3.492 -10.254 2.843 1.00 0.00 C ATOM 215 O ALA A 14 -3.787 -10.320 4.038 1.00 0.00 O ATOM 216 CB ALA A 14 -5.365 -9.365 1.432 1.00 0.00 C ATOM 0 H ALA A 14 -5.657 -11.640 3.191 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.994 -10.908 0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.712 -8.555 1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.064 -9.611 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.921 -9.050 2.315 1.00 0.00 H new ATOM 222 N TYR A 15 -2.286 -9.893 2.405 1.00 0.00 N ATOM 223 CA TYR A 15 -1.185 -9.564 3.309 1.00 0.00 C ATOM 224 C TYR A 15 -0.602 -8.187 2.980 1.00 0.00 C ATOM 225 O TYR A 15 -0.003 -7.992 1.919 1.00 0.00 O ATOM 226 CB TYR A 15 -0.094 -10.645 3.217 1.00 0.00 C ATOM 227 CG TYR A 15 1.195 -10.291 3.944 1.00 0.00 C ATOM 228 CD1 TYR A 15 1.248 -10.248 5.334 1.00 0.00 C ATOM 229 CD2 TYR A 15 2.356 -9.989 3.235 1.00 0.00 C ATOM 230 CE1 TYR A 15 2.417 -9.917 5.993 1.00 0.00 C ATOM 231 CE2 TYR A 15 3.526 -9.657 3.890 1.00 0.00 C ATOM 232 CZ TYR A 15 3.552 -9.622 5.268 1.00 0.00 C ATOM 233 OH TYR A 15 4.718 -9.285 5.920 1.00 0.00 O ATOM 0 H TYR A 15 -2.046 -9.821 1.416 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.570 -9.532 4.328 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.485 -11.576 3.626 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.133 -10.829 2.167 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.362 -10.477 5.907 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.341 -10.015 2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.441 -9.890 7.072 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.417 -9.426 3.325 1.00 0.00 H new ATOM 0 HH TYR A 15 5.422 -9.108 5.261 1.00 0.00 H new ATOM 243 N VAL A 16 -0.790 -7.233 3.891 1.00 0.00 N ATOM 244 CA VAL A 16 -0.259 -5.880 3.732 1.00 0.00 C ATOM 245 C VAL A 16 1.183 -5.813 4.240 1.00 0.00 C ATOM 246 O VAL A 16 1.447 -6.114 5.406 1.00 0.00 O ATOM 247 CB VAL A 16 -1.121 -4.842 4.494 1.00 0.00 C ATOM 248 CG1 VAL A 16 -0.595 -3.425 4.271 1.00 0.00 C ATOM 249 CG2 VAL A 16 -2.591 -4.951 4.083 1.00 0.00 C ATOM 0 H VAL A 16 -1.312 -7.375 4.756 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.285 -5.639 2.669 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.050 -5.061 5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.218 -2.716 4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.432 -3.357 4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.624 -3.189 3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.178 -4.213 4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.684 -4.767 3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.960 -5.951 4.313 1.00 0.00 H new ATOM 259 N ALA A 17 2.096 -5.394 3.366 1.00 0.00 N ATOM 260 CA ALA A 17 3.532 -5.408 3.657 1.00 0.00 C ATOM 261 C ALA A 17 3.892 -4.599 4.909 1.00 0.00 C ATOM 262 O ALA A 17 4.240 -5.173 5.941 1.00 0.00 O ATOM 263 CB ALA A 17 4.317 -4.901 2.450 1.00 0.00 C ATOM 0 H ALA A 17 1.865 -5.036 2.439 1.00 0.00 H new ATOM 0 HA ALA A 17 3.807 -6.442 3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.383 -4.916 2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.120 -5.544 1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.009 -3.881 2.218 1.00 0.00 H new ATOM 269 N LYS A 18 3.790 -3.270 4.823 1.00 0.00 N ATOM 270 CA LYS A 18 4.268 -2.385 5.897 1.00 0.00 C ATOM 271 C LYS A 18 3.500 -2.579 7.205 1.00 0.00 C ATOM 272 O LYS A 18 3.946 -2.138 8.265 1.00 0.00 O ATOM 273 CB LYS A 18 4.227 -0.906 5.449 1.00 0.00 C ATOM 274 CG LYS A 18 2.879 -0.405 4.906 1.00 0.00 C ATOM 275 CD LYS A 18 1.835 -0.162 6.001 1.00 0.00 C ATOM 276 CE LYS A 18 2.311 0.840 7.054 1.00 0.00 C ATOM 277 NZ LYS A 18 2.627 2.174 6.472 1.00 0.00 N ATOM 0 H LYS A 18 3.383 -2.781 4.026 1.00 0.00 H new ATOM 0 HA LYS A 18 5.303 -2.662 6.096 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.509 -0.282 6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.984 -0.759 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.039 0.522 4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.488 -1.134 4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.915 0.204 5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.596 -1.108 6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.541 0.954 7.817 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.197 0.445 7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.879 2.835 7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.426 2.085 5.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.796 2.536 5.962 1.00 0.00 H new ATOM 291 N LYS A 19 2.349 -3.230 7.131 1.00 0.00 N ATOM 292 CA LYS A 19 1.504 -3.435 8.304 1.00 0.00 C ATOM 293 C LYS A 19 1.668 -4.858 8.848 1.00 0.00 C ATOM 294 O LYS A 19 1.289 -5.140 9.987 1.00 0.00 O ATOM 295 CB LYS A 19 0.038 -3.143 7.932 1.00 0.00 C ATOM 296 CG LYS A 19 -0.981 -3.401 9.044 1.00 0.00 C ATOM 297 CD LYS A 19 -0.773 -2.517 10.270 1.00 0.00 C ATOM 298 CE LYS A 19 -1.794 -2.840 11.359 1.00 0.00 C ATOM 299 NZ LYS A 19 -1.572 -2.044 12.593 1.00 0.00 N ATOM 0 H LYS A 19 1.975 -3.628 6.269 1.00 0.00 H new ATOM 0 HA LYS A 19 1.809 -2.749 9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.041 -2.100 7.624 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.229 -3.752 7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.985 -3.237 8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.923 -4.447 9.345 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.235 -2.660 10.658 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.859 -1.468 9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.798 -2.648 10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.742 -3.902 11.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.288 -2.297 13.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.624 -2.246 12.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.648 -1.031 12.371 1.00 0.00 H new ATOM 313 N ASP A 20 2.253 -5.743 8.030 1.00 0.00 N ATOM 314 CA ASP A 20 2.427 -7.160 8.393 1.00 0.00 C ATOM 315 C ASP A 20 1.070 -7.802 8.677 1.00 0.00 C ATOM 316 O ASP A 20 0.970 -8.805 9.389 1.00 0.00 O ATOM 317 CB ASP A 20 3.353 -7.312 9.615 1.00 0.00 C ATOM 318 CG ASP A 20 4.780 -6.854 9.343 1.00 0.00 C ATOM 319 OD1 ASP A 20 5.039 -5.634 9.384 1.00 0.00 O ATOM 320 OD2 ASP A 20 5.654 -7.715 9.096 1.00 0.00 O ATOM 0 H ASP A 20 2.616 -5.503 7.108 1.00 0.00 H new ATOM 0 HA ASP A 20 2.893 -7.670 7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.945 -6.737 10.446 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.366 -8.357 9.926 1.00 0.00 H new ATOM 325 N LEU A 21 0.033 -7.223 8.082 1.00 0.00 N ATOM 326 CA LEU A 21 -1.348 -7.617 8.336 1.00 0.00 C ATOM 327 C LEU A 21 -1.776 -8.695 7.351 1.00 0.00 C ATOM 328 O LEU A 21 -1.686 -8.500 6.142 1.00 0.00 O ATOM 329 CB LEU A 21 -2.252 -6.378 8.212 1.00 0.00 C ATOM 330 CG LEU A 21 -3.699 -6.501 8.730 1.00 0.00 C ATOM 331 CD1 LEU A 21 -4.294 -5.111 8.936 1.00 0.00 C ATOM 332 CD2 LEU A 21 -4.579 -7.308 7.773 1.00 0.00 C ATOM 0 H LEU A 21 0.127 -6.464 7.407 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.435 -8.026 9.342 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.772 -5.556 8.744 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.294 -6.095 7.160 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.669 -7.034 9.680 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.317 -5.204 9.302 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.696 -4.564 9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.295 -4.572 7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.590 -7.371 8.175 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.605 -6.816 6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.170 -8.312 7.661 1.00 0.00 H new ATOM 344 N GLU A 22 -2.236 -9.821 7.871 1.00 0.00 N ATOM 345 CA GLU A 22 -2.738 -10.905 7.041 1.00 0.00 C ATOM 346 C GLU A 22 -4.125 -11.322 7.524 1.00 0.00 C ATOM 347 O GLU A 22 -4.270 -11.911 8.603 1.00 0.00 O ATOM 348 CB GLU A 22 -1.773 -12.094 7.081 1.00 0.00 C ATOM 349 CG GLU A 22 -2.171 -13.243 6.166 1.00 0.00 C ATOM 350 CD GLU A 22 -1.248 -14.436 6.312 1.00 0.00 C ATOM 351 OE1 GLU A 22 -1.418 -15.207 7.280 1.00 0.00 O ATOM 352 OE2 GLU A 22 -0.345 -14.607 5.466 1.00 0.00 O ATOM 0 H GLU A 22 -2.272 -10.009 8.873 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.813 -10.561 6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.777 -11.750 6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.709 -12.463 8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.193 -13.547 6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.160 -12.902 5.131 1.00 0.00 H new ATOM 359 N GLU A 23 -5.141 -11.003 6.730 1.00 0.00 N ATOM 360 CA GLU A 23 -6.527 -11.277 7.097 1.00 0.00 C ATOM 361 C GLU A 23 -7.263 -11.918 5.924 1.00 0.00 C ATOM 362 O GLU A 23 -6.823 -11.825 4.774 1.00 0.00 O ATOM 363 CB GLU A 23 -7.236 -9.977 7.520 1.00 0.00 C ATOM 364 CG GLU A 23 -8.619 -10.178 8.137 1.00 0.00 C ATOM 365 CD GLU A 23 -8.607 -11.085 9.356 1.00 0.00 C ATOM 366 OE1 GLU A 23 -8.392 -10.580 10.476 1.00 0.00 O ATOM 367 OE2 GLU A 23 -8.821 -12.303 9.194 1.00 0.00 O ATOM 0 H GLU A 23 -5.030 -10.551 5.822 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.535 -11.968 7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.605 -9.452 8.237 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.332 -9.331 6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.028 -9.208 8.419 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.287 -10.600 7.386 1.00 0.00 H new ATOM 374 N LEU A 24 -8.381 -12.565 6.226 1.00 0.00 N ATOM 375 CA LEU A 24 -9.206 -13.209 5.210 1.00 0.00 C ATOM 376 C LEU A 24 -10.045 -12.172 4.463 1.00 0.00 C ATOM 377 O LEU A 24 -10.462 -11.165 5.039 1.00 0.00 O ATOM 378 CB LEU A 24 -10.124 -14.257 5.860 1.00 0.00 C ATOM 379 CG LEU A 24 -9.399 -15.399 6.594 1.00 0.00 C ATOM 380 CD1 LEU A 24 -10.402 -16.345 7.252 1.00 0.00 C ATOM 381 CD2 LEU A 24 -8.485 -16.159 5.633 1.00 0.00 C ATOM 0 H LEU A 24 -8.741 -12.659 7.176 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.549 -13.705 4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.781 -13.752 6.567 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.759 -14.689 5.087 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.782 -14.963 7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.866 -17.144 7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.005 -15.792 7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.051 -16.775 6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.981 -16.963 6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.079 -16.581 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.742 -15.476 5.221 1.00 0.00 H new ATOM 393 N ILE A 25 -10.277 -12.425 3.182 1.00 0.00 N ATOM 394 CA ILE A 25 -11.111 -11.563 2.353 1.00 0.00 C ATOM 395 C ILE A 25 -12.568 -12.012 2.446 1.00 0.00 C ATOM 396 O ILE A 25 -12.915 -13.107 1.994 1.00 0.00 O ATOM 397 CB ILE A 25 -10.649 -11.595 0.870 1.00 0.00 C ATOM 398 CG1 ILE A 25 -9.208 -11.065 0.739 1.00 0.00 C ATOM 399 CG2 ILE A 25 -11.605 -10.797 -0.013 1.00 0.00 C ATOM 400 CD1 ILE A 25 -8.666 -11.097 -0.680 1.00 0.00 C ATOM 0 H ILE A 25 -9.894 -13.231 2.689 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.016 -10.541 2.720 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.662 -12.631 0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.174 -10.040 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.554 -11.656 1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.262 -10.833 -1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.605 -11.226 0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.632 -9.761 0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.648 -10.708 -0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.666 -12.124 -1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.295 -10.482 -1.324 1.00 0.00 H new ATOM 412 N VAL A 26 -13.415 -11.180 3.046 1.00 0.00 N ATOM 413 CA VAL A 26 -14.829 -11.519 3.226 1.00 0.00 C ATOM 414 C VAL A 26 -15.709 -10.815 2.194 1.00 0.00 C ATOM 415 O VAL A 26 -16.676 -11.399 1.693 1.00 0.00 O ATOM 416 CB VAL A 26 -15.324 -11.178 4.656 1.00 0.00 C ATOM 417 CG1 VAL A 26 -14.644 -12.076 5.687 1.00 0.00 C ATOM 418 CG2 VAL A 26 -15.090 -9.701 4.982 1.00 0.00 C ATOM 0 H VAL A 26 -13.150 -10.267 3.416 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.912 -12.596 3.080 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.398 -11.362 4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.004 -11.822 6.684 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.877 -13.119 5.472 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.565 -11.929 5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.446 -9.490 5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.025 -9.479 4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.632 -9.081 4.268 1.00 0.00 H new ATOM 428 N GLU A 27 -15.368 -9.574 1.863 1.00 0.00 N ATOM 429 CA GLU A 27 -16.156 -8.793 0.916 1.00 0.00 C ATOM 430 C GLU A 27 -15.270 -8.241 -0.193 1.00 0.00 C ATOM 431 O GLU A 27 -14.325 -7.495 0.065 1.00 0.00 O ATOM 432 CB GLU A 27 -16.879 -7.648 1.637 1.00 0.00 C ATOM 433 CG GLU A 27 -17.760 -6.805 0.719 1.00 0.00 C ATOM 434 CD GLU A 27 -18.528 -5.731 1.469 1.00 0.00 C ATOM 435 OE1 GLU A 27 -19.643 -6.017 1.949 1.00 0.00 O ATOM 436 OE2 GLU A 27 -18.021 -4.597 1.585 1.00 0.00 O ATOM 0 H GLU A 27 -14.552 -9.088 2.236 1.00 0.00 H new ATOM 0 HA GLU A 27 -16.902 -9.450 0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -17.494 -8.064 2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.138 -7.002 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.139 -6.336 -0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.465 -7.455 0.201 1.00 0.00 H new ATOM 443 N MET A 28 -15.570 -8.629 -1.425 1.00 0.00 N ATOM 444 CA MET A 28 -14.852 -8.134 -2.591 1.00 0.00 C ATOM 445 C MET A 28 -15.707 -7.091 -3.306 1.00 0.00 C ATOM 446 O MET A 28 -16.928 -7.068 -3.133 1.00 0.00 O ATOM 447 CB MET A 28 -14.536 -9.285 -3.562 1.00 0.00 C ATOM 448 CG MET A 28 -13.906 -10.516 -2.917 1.00 0.00 C ATOM 449 SD MET A 28 -15.039 -11.384 -1.808 1.00 0.00 S ATOM 450 CE MET A 28 -14.122 -12.889 -1.473 1.00 0.00 C ATOM 0 H MET A 28 -16.314 -9.292 -1.644 1.00 0.00 H new ATOM 0 HA MET A 28 -13.915 -7.687 -2.261 1.00 0.00 H new ATOM 0 HB2 MET A 28 -15.459 -9.585 -4.059 1.00 0.00 H new ATOM 0 HB3 MET A 28 -13.864 -8.914 -4.336 1.00 0.00 H new ATOM 0 HG2 MET A 28 -13.574 -11.200 -3.698 1.00 0.00 H new ATOM 0 HG3 MET A 28 -13.019 -10.215 -2.360 1.00 0.00 H new ATOM 0 HE1 MET A 28 -14.483 -13.687 -2.122 1.00 0.00 H new ATOM 0 HE2 MET A 28 -13.062 -12.719 -1.663 1.00 0.00 H new ATOM 0 HE3 MET A 28 -14.263 -13.176 -0.431 1.00 0.00 H new ATOM 460 N GLU A 29 -15.070 -6.227 -4.096 1.00 0.00 N ATOM 461 CA GLU A 29 -15.797 -5.260 -4.914 1.00 0.00 C ATOM 462 C GLU A 29 -16.719 -5.991 -5.888 1.00 0.00 C ATOM 463 O GLU A 29 -17.934 -5.788 -5.889 1.00 0.00 O ATOM 464 CB GLU A 29 -14.824 -4.366 -5.693 1.00 0.00 C ATOM 465 CG GLU A 29 -15.506 -3.267 -6.502 1.00 0.00 C ATOM 466 CD GLU A 29 -16.287 -2.293 -5.631 1.00 0.00 C ATOM 467 OE1 GLU A 29 -17.443 -2.595 -5.278 1.00 0.00 O ATOM 468 OE2 GLU A 29 -15.747 -1.225 -5.284 1.00 0.00 O ATOM 0 H GLU A 29 -14.055 -6.178 -4.186 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.393 -4.631 -4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.127 -3.908 -4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.235 -4.988 -6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.753 -2.718 -7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.181 -3.721 -7.227 1.00 0.00 H new ATOM 475 N ASN A 30 -16.120 -6.835 -6.722 1.00 0.00 N ATOM 476 CA ASN A 30 -16.866 -7.676 -7.657 1.00 0.00 C ATOM 477 C ASN A 30 -17.049 -9.065 -7.049 1.00 0.00 C ATOM 478 O ASN A 30 -16.230 -9.487 -6.234 1.00 0.00 O ATOM 479 CB ASN A 30 -16.127 -7.776 -9.005 1.00 0.00 C ATOM 480 CG ASN A 30 -16.176 -6.493 -9.831 1.00 0.00 C ATOM 481 OD1 ASN A 30 -16.140 -6.538 -11.061 1.00 0.00 O ATOM 482 ND2 ASN A 30 -16.257 -5.344 -9.172 1.00 0.00 N ATOM 0 H ASN A 30 -15.108 -6.957 -6.770 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.843 -7.228 -7.839 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -15.085 -8.038 -8.819 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.561 -8.589 -9.587 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.291 -4.463 -9.685 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.285 -5.342 -8.152 1.00 0.00 H new ATOM 489 N PRO A 31 -18.112 -9.799 -7.439 1.00 0.00 N ATOM 490 CA PRO A 31 -18.412 -11.130 -6.876 1.00 0.00 C ATOM 491 C PRO A 31 -17.270 -12.131 -7.081 1.00 0.00 C ATOM 492 O PRO A 31 -17.239 -13.191 -6.451 1.00 0.00 O ATOM 493 CB PRO A 31 -19.674 -11.575 -7.641 1.00 0.00 C ATOM 494 CG PRO A 31 -19.719 -10.712 -8.858 1.00 0.00 C ATOM 495 CD PRO A 31 -19.113 -9.399 -8.449 1.00 0.00 C ATOM 0 HA PRO A 31 -18.551 -11.087 -5.796 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.621 -12.630 -7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -20.569 -11.445 -7.033 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -19.160 -11.163 -9.678 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -20.743 -10.579 -9.206 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -18.653 -8.886 -9.293 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -19.859 -8.722 -8.033 1.00 0.00 H new ATOM 503 N ALA A 32 -16.340 -11.788 -7.969 1.00 0.00 N ATOM 504 CA ALA A 32 -15.189 -12.637 -8.255 1.00 0.00 C ATOM 505 C ALA A 32 -14.090 -12.444 -7.211 1.00 0.00 C ATOM 506 O ALA A 32 -13.832 -13.333 -6.394 1.00 0.00 O ATOM 507 CB ALA A 32 -14.657 -12.343 -9.652 1.00 0.00 C ATOM 0 H ALA A 32 -16.363 -10.921 -8.506 1.00 0.00 H new ATOM 0 HA ALA A 32 -15.511 -13.677 -8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.798 -12.982 -9.856 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.438 -12.539 -10.387 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.355 -11.298 -9.714 1.00 0.00 H new ATOM 513 N LEU A 33 -13.453 -11.271 -7.237 1.00 0.00 N ATOM 514 CA LEU A 33 -12.351 -10.963 -6.325 1.00 0.00 C ATOM 515 C LEU A 33 -11.897 -9.515 -6.534 1.00 0.00 C ATOM 516 O LEU A 33 -12.096 -8.658 -5.672 1.00 0.00 O ATOM 517 CB LEU A 33 -11.175 -11.950 -6.555 1.00 0.00 C ATOM 518 CG LEU A 33 -10.183 -12.142 -5.382 1.00 0.00 C ATOM 519 CD1 LEU A 33 -9.325 -10.901 -5.149 1.00 0.00 C ATOM 520 CD2 LEU A 33 -10.926 -12.525 -4.105 1.00 0.00 C ATOM 0 H LEU A 33 -13.684 -10.516 -7.883 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.692 -11.075 -5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.594 -12.924 -6.808 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.611 -11.610 -7.424 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.512 -12.956 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.644 -11.080 -4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.749 -10.682 -6.049 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.968 -10.053 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.211 -12.655 -3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.632 -11.736 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.467 -13.458 -4.265 1.00 0.00 H new ATOM 532 N TRP A 34 -11.310 -9.253 -7.698 1.00 0.00 N ATOM 533 CA TRP A 34 -10.769 -7.932 -8.029 1.00 0.00 C ATOM 534 C TRP A 34 -11.870 -7.022 -8.571 1.00 0.00 C ATOM 535 O TRP A 34 -12.922 -7.505 -8.994 1.00 0.00 O ATOM 536 CB TRP A 34 -9.642 -8.080 -9.064 1.00 0.00 C ATOM 537 CG TRP A 34 -8.545 -9.004 -8.614 1.00 0.00 C ATOM 538 CD1 TRP A 34 -8.557 -10.372 -8.642 1.00 0.00 C ATOM 539 CD2 TRP A 34 -7.277 -8.628 -8.068 1.00 0.00 C ATOM 540 NE1 TRP A 34 -7.381 -10.865 -8.134 1.00 0.00 N ATOM 541 CE2 TRP A 34 -6.577 -9.814 -7.780 1.00 0.00 C ATOM 542 CE3 TRP A 34 -6.667 -7.402 -7.794 1.00 0.00 C ATOM 543 CZ2 TRP A 34 -5.300 -9.808 -7.231 1.00 0.00 C ATOM 544 CZ3 TRP A 34 -5.397 -7.399 -7.251 1.00 0.00 C ATOM 545 CH2 TRP A 34 -4.726 -8.595 -6.974 1.00 0.00 C ATOM 0 H TRP A 34 -11.195 -9.945 -8.438 1.00 0.00 H new ATOM 0 HA TRP A 34 -10.366 -7.478 -7.124 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -10.062 -8.452 -9.999 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -9.218 -7.098 -9.274 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -9.373 -10.976 -9.010 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -7.145 -11.852 -8.036 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.178 -6.474 -8.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.780 -10.730 -7.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -4.914 -6.457 -7.037 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -3.734 -8.559 -6.548 1.00 0.00 H new ATOM 556 N GLY A 35 -11.637 -5.706 -8.545 1.00 0.00 N ATOM 557 CA GLY A 35 -12.610 -4.775 -9.096 1.00 0.00 C ATOM 558 C GLY A 35 -12.319 -3.325 -8.749 1.00 0.00 C ATOM 559 O GLY A 35 -12.157 -2.487 -9.641 1.00 0.00 O ATOM 0 H GLY A 35 -10.799 -5.274 -8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.633 -4.884 -10.180 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.602 -5.037 -8.728 1.00 0.00 H new ATOM 563 N GLY A 36 -12.244 -3.031 -7.454 1.00 0.00 N ATOM 564 CA GLY A 36 -12.058 -1.660 -6.999 1.00 0.00 C ATOM 565 C GLY A 36 -11.557 -1.596 -5.570 1.00 0.00 C ATOM 566 O GLY A 36 -10.451 -1.125 -5.313 1.00 0.00 O ATOM 0 H GLY A 36 -12.309 -3.721 -6.706 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.349 -1.154 -7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.003 -1.122 -7.076 1.00 0.00 H new ATOM 570 N LYS A 37 -12.373 -2.070 -4.632 1.00 0.00 N ATOM 571 CA LYS A 37 -11.965 -2.157 -3.231 1.00 0.00 C ATOM 572 C LYS A 37 -12.276 -3.537 -2.658 1.00 0.00 C ATOM 573 O LYS A 37 -12.978 -4.337 -3.283 1.00 0.00 O ATOM 574 CB LYS A 37 -12.620 -1.037 -2.391 1.00 0.00 C ATOM 575 CG LYS A 37 -14.150 -0.951 -2.468 1.00 0.00 C ATOM 576 CD LYS A 37 -14.854 -2.034 -1.648 1.00 0.00 C ATOM 577 CE LYS A 37 -16.346 -1.744 -1.474 1.00 0.00 C ATOM 578 NZ LYS A 37 -17.054 -1.582 -2.775 1.00 0.00 N ATOM 0 H LYS A 37 -13.321 -2.400 -4.816 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.885 -2.014 -3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.335 -1.177 -1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.205 -0.081 -2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.471 0.029 -2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.461 -1.033 -3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.727 -2.999 -2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.383 -2.110 -0.668 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.807 -2.556 -0.912 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.469 -0.837 -0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -18.015 -1.223 -2.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.533 -0.908 -3.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.109 -2.502 -3.257 1.00 0.00 H new ATOM 592 N VAL A 38 -11.742 -3.807 -1.477 1.00 0.00 N ATOM 593 CA VAL A 38 -11.942 -5.078 -0.796 1.00 0.00 C ATOM 594 C VAL A 38 -11.962 -4.852 0.715 1.00 0.00 C ATOM 595 O VAL A 38 -11.370 -3.892 1.211 1.00 0.00 O ATOM 596 CB VAL A 38 -10.831 -6.096 -1.173 1.00 0.00 C ATOM 597 CG1 VAL A 38 -9.454 -5.597 -0.741 1.00 0.00 C ATOM 598 CG2 VAL A 38 -11.120 -7.471 -0.581 1.00 0.00 C ATOM 0 H VAL A 38 -11.156 -3.150 -0.962 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.898 -5.494 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.827 -6.191 -2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.697 -6.331 -1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.239 -4.650 -1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.441 -5.454 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.325 -8.162 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.169 -7.396 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.072 -7.839 -0.963 1.00 0.00 H new ATOM 608 N THR A 39 -12.661 -5.714 1.440 1.00 0.00 N ATOM 609 CA THR A 39 -12.751 -5.599 2.890 1.00 0.00 C ATOM 610 C THR A 39 -12.271 -6.883 3.569 1.00 0.00 C ATOM 611 O THR A 39 -12.718 -7.988 3.232 1.00 0.00 O ATOM 612 CB THR A 39 -14.197 -5.275 3.330 1.00 0.00 C ATOM 613 OG1 THR A 39 -14.652 -4.097 2.645 1.00 0.00 O ATOM 614 CG2 THR A 39 -14.284 -5.053 4.838 1.00 0.00 C ATOM 0 H THR A 39 -13.175 -6.503 1.047 1.00 0.00 H new ATOM 0 HA THR A 39 -12.103 -4.779 3.198 1.00 0.00 H new ATOM 0 HB THR A 39 -14.829 -6.126 3.075 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.569 -3.891 2.922 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.314 -4.827 5.114 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.958 -5.954 5.358 1.00 0.00 H new ATOM 0 HG23 THR A 39 -13.642 -4.219 5.121 1.00 0.00 H new ATOM 622 N LEU A 40 -11.345 -6.723 4.510 1.00 0.00 N ATOM 623 CA LEU A 40 -10.797 -7.845 5.264 1.00 0.00 C ATOM 624 C LEU A 40 -11.760 -8.264 6.371 1.00 0.00 C ATOM 625 O LEU A 40 -12.606 -7.478 6.799 1.00 0.00 O ATOM 626 CB LEU A 40 -9.426 -7.483 5.864 1.00 0.00 C ATOM 627 CG LEU A 40 -8.264 -7.332 4.860 1.00 0.00 C ATOM 628 CD1 LEU A 40 -8.160 -8.560 3.959 1.00 0.00 C ATOM 629 CD2 LEU A 40 -8.407 -6.056 4.032 1.00 0.00 C ATOM 0 H LEU A 40 -10.955 -5.817 4.770 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.664 -8.682 4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.528 -6.547 6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.155 -8.251 6.589 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.339 -7.252 5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.334 -8.430 3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.983 -9.445 4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.089 -8.683 3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.573 -5.979 3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.344 -6.087 3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.407 -5.190 4.694 1.00 0.00 H new ATOM 641 N ALA A 41 -11.597 -9.495 6.847 1.00 0.00 N ATOM 642 CA ALA A 41 -12.501 -10.082 7.839 1.00 0.00 C ATOM 643 C ALA A 41 -12.554 -9.258 9.124 1.00 0.00 C ATOM 644 O ALA A 41 -13.568 -9.249 9.824 1.00 0.00 O ATOM 645 CB ALA A 41 -12.081 -11.516 8.148 1.00 0.00 C ATOM 0 H ALA A 41 -10.839 -10.114 6.559 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.503 -10.082 7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.760 -11.943 8.886 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.118 -12.111 7.235 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.065 -11.520 8.543 1.00 0.00 H new ATOM 651 N ASN A 42 -11.459 -8.570 9.432 1.00 0.00 N ATOM 652 CA ASN A 42 -11.381 -7.759 10.646 1.00 0.00 C ATOM 653 C ASN A 42 -12.192 -6.470 10.482 1.00 0.00 C ATOM 654 O ASN A 42 -12.768 -5.958 11.444 1.00 0.00 O ATOM 655 CB ASN A 42 -9.914 -7.448 10.989 1.00 0.00 C ATOM 656 CG ASN A 42 -9.729 -6.884 12.395 1.00 0.00 C ATOM 657 OD1 ASN A 42 -10.574 -6.156 12.914 1.00 0.00 O ATOM 658 ND2 ASN A 42 -8.615 -7.222 13.023 1.00 0.00 N ATOM 0 H ASN A 42 -10.614 -8.557 8.860 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.810 -8.325 11.473 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.324 -8.359 10.890 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.522 -6.734 10.264 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.436 -6.877 13.966 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.935 -7.828 12.564 1.00 0.00 H new ATOM 665 N GLY A 43 -12.258 -5.962 9.251 1.00 0.00 N ATOM 666 CA GLY A 43 -13.032 -4.757 8.981 1.00 0.00 C ATOM 667 C GLY A 43 -12.252 -3.692 8.230 1.00 0.00 C ATOM 668 O GLY A 43 -12.828 -2.696 7.789 1.00 0.00 O ATOM 0 H GLY A 43 -11.791 -6.362 8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.916 -5.025 8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.383 -4.341 9.925 1.00 0.00 H new ATOM 672 N TRP A 44 -10.939 -3.879 8.099 1.00 0.00 N ATOM 673 CA TRP A 44 -10.105 -2.926 7.363 1.00 0.00 C ATOM 674 C TRP A 44 -10.400 -2.984 5.864 1.00 0.00 C ATOM 675 O TRP A 44 -10.641 -4.059 5.308 1.00 0.00 O ATOM 676 CB TRP A 44 -8.612 -3.183 7.619 1.00 0.00 C ATOM 677 CG TRP A 44 -8.131 -2.668 8.947 1.00 0.00 C ATOM 678 CD1 TRP A 44 -8.055 -1.359 9.336 1.00 0.00 C ATOM 679 CD2 TRP A 44 -7.635 -3.440 10.047 1.00 0.00 C ATOM 680 NE1 TRP A 44 -7.552 -1.274 10.610 1.00 0.00 N ATOM 681 CE2 TRP A 44 -7.286 -2.535 11.068 1.00 0.00 C ATOM 682 CE3 TRP A 44 -7.457 -4.807 10.272 1.00 0.00 C ATOM 683 CZ2 TRP A 44 -6.768 -2.953 12.290 1.00 0.00 C ATOM 684 CZ3 TRP A 44 -6.938 -5.219 11.486 1.00 0.00 C ATOM 685 CH2 TRP A 44 -6.600 -4.295 12.481 1.00 0.00 C ATOM 0 H TRP A 44 -10.432 -4.674 8.489 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.349 -1.928 7.726 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.422 -4.255 7.564 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.030 -2.715 6.825 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.348 -0.515 8.729 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -7.401 -0.410 11.131 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -7.720 -5.528 9.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.508 -2.242 13.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.791 -6.273 11.669 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.198 -4.650 13.419 1.00 0.00 H new ATOM 696 N GLN A 45 -10.386 -1.818 5.224 1.00 0.00 N ATOM 697 CA GLN A 45 -10.640 -1.703 3.791 1.00 0.00 C ATOM 698 C GLN A 45 -9.335 -1.486 3.030 1.00 0.00 C ATOM 699 O GLN A 45 -8.481 -0.700 3.449 1.00 0.00 O ATOM 700 CB GLN A 45 -11.590 -0.534 3.508 1.00 0.00 C ATOM 701 CG GLN A 45 -12.967 -0.671 4.147 1.00 0.00 C ATOM 702 CD GLN A 45 -13.842 0.553 3.926 1.00 0.00 C ATOM 703 OE1 GLN A 45 -15.064 0.447 3.828 1.00 0.00 O ATOM 704 NE2 GLN A 45 -13.232 1.730 3.879 1.00 0.00 N ATOM 0 H GLN A 45 -10.198 -0.927 5.684 1.00 0.00 H new ATOM 0 HA GLN A 45 -11.100 -2.632 3.455 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.128 0.387 3.863 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.712 -0.434 2.429 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.467 -1.549 3.737 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.851 -0.841 5.217 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.217 1.782 3.964 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.778 2.583 3.758 1.00 0.00 H new ATOM 713 N LEU A 46 -9.199 -2.176 1.907 1.00 0.00 N ATOM 714 CA LEU A 46 -8.038 -2.046 1.036 1.00 0.00 C ATOM 715 C LEU A 46 -8.506 -1.832 -0.399 1.00 0.00 C ATOM 716 O LEU A 46 -9.509 -2.412 -0.816 1.00 0.00 O ATOM 717 CB LEU A 46 -7.168 -3.309 1.125 1.00 0.00 C ATOM 718 CG LEU A 46 -5.924 -3.325 0.220 1.00 0.00 C ATOM 719 CD1 LEU A 46 -4.920 -2.259 0.655 1.00 0.00 C ATOM 720 CD2 LEU A 46 -5.284 -4.711 0.212 1.00 0.00 C ATOM 0 H LEU A 46 -9.893 -2.844 1.572 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.442 -1.190 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.845 -3.434 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.786 -4.172 0.878 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.238 -3.091 -0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.049 -2.290 -0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.385 -1.275 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.608 -2.450 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.406 -4.702 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.987 -4.980 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.002 -5.441 -0.162 1.00 0.00 H new ATOM 732 N GLU A 47 -7.805 -0.986 -1.140 1.00 0.00 N ATOM 733 CA GLU A 47 -8.144 -0.739 -2.536 1.00 0.00 C ATOM 734 C GLU A 47 -7.576 -1.859 -3.401 1.00 0.00 C ATOM 735 O GLU A 47 -6.370 -2.113 -3.389 1.00 0.00 O ATOM 736 CB GLU A 47 -7.605 0.621 -2.990 1.00 0.00 C ATOM 737 CG GLU A 47 -8.225 1.125 -4.286 1.00 0.00 C ATOM 738 CD GLU A 47 -7.727 2.507 -4.671 1.00 0.00 C ATOM 739 OE1 GLU A 47 -8.340 3.511 -4.246 1.00 0.00 O ATOM 740 OE2 GLU A 47 -6.721 2.599 -5.405 1.00 0.00 O ATOM 0 H GLU A 47 -7.000 -0.460 -0.800 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.229 -0.721 -2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.784 1.354 -2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.525 0.549 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.999 0.424 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.310 1.150 -4.180 1.00 0.00 H new ATOM 747 N LEU A 48 -8.451 -2.529 -4.139 1.00 0.00 N ATOM 748 CA LEU A 48 -8.071 -3.692 -4.929 1.00 0.00 C ATOM 749 C LEU A 48 -8.230 -3.383 -6.421 1.00 0.00 C ATOM 750 O LEU A 48 -9.346 -3.428 -6.950 1.00 0.00 O ATOM 751 CB LEU A 48 -8.942 -4.893 -4.530 1.00 0.00 C ATOM 752 CG LEU A 48 -8.400 -6.269 -4.945 1.00 0.00 C ATOM 753 CD1 LEU A 48 -7.042 -6.531 -4.293 1.00 0.00 C ATOM 754 CD2 LEU A 48 -9.394 -7.365 -4.578 1.00 0.00 C ATOM 0 H LEU A 48 -9.439 -2.283 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.026 -3.937 -4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.070 -4.883 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.931 -4.764 -4.969 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.265 -6.275 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.674 -7.510 -4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.334 -5.764 -4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.148 -6.506 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.995 -8.334 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.560 -7.360 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.339 -7.186 -5.092 1.00 0.00 H new ATOM 766 N PRO A 49 -7.118 -3.063 -7.116 1.00 0.00 N ATOM 767 CA PRO A 49 -7.155 -2.619 -8.518 1.00 0.00 C ATOM 768 C PRO A 49 -7.800 -3.649 -9.446 1.00 0.00 C ATOM 769 O PRO A 49 -7.745 -4.856 -9.192 1.00 0.00 O ATOM 770 CB PRO A 49 -5.671 -2.411 -8.878 1.00 0.00 C ATOM 771 CG PRO A 49 -4.912 -3.193 -7.856 1.00 0.00 C ATOM 772 CD PRO A 49 -5.737 -3.132 -6.600 1.00 0.00 C ATOM 0 HA PRO A 49 -7.760 -1.721 -8.638 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.456 -2.766 -9.886 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.402 -1.355 -8.847 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.768 -4.224 -8.180 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.921 -2.768 -7.695 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.583 -4.010 -5.973 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.488 -2.260 -5.995 1.00 0.00 H new ATOM 780 N ALA A 50 -8.412 -3.163 -10.521 1.00 0.00 N ATOM 781 CA ALA A 50 -9.067 -4.027 -11.493 1.00 0.00 C ATOM 782 C ALA A 50 -8.033 -4.831 -12.278 1.00 0.00 C ATOM 783 O ALA A 50 -7.506 -4.374 -13.296 1.00 0.00 O ATOM 784 CB ALA A 50 -9.951 -3.207 -12.429 1.00 0.00 C ATOM 0 H ALA A 50 -8.467 -2.168 -10.741 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.705 -4.730 -10.958 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.432 -3.870 -13.148 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.713 -2.688 -11.848 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.340 -2.477 -12.960 1.00 0.00 H new ATOM 790 N MET A 51 -7.712 -6.011 -11.761 1.00 0.00 N ATOM 791 CA MET A 51 -6.790 -6.932 -12.417 1.00 0.00 C ATOM 792 C MET A 51 -7.541 -8.193 -12.830 1.00 0.00 C ATOM 793 O MET A 51 -8.770 -8.251 -12.718 1.00 0.00 O ATOM 794 CB MET A 51 -5.627 -7.287 -11.476 1.00 0.00 C ATOM 795 CG MET A 51 -4.812 -6.081 -11.024 1.00 0.00 C ATOM 796 SD MET A 51 -4.063 -5.190 -12.403 1.00 0.00 S ATOM 797 CE MET A 51 -3.286 -3.821 -11.549 1.00 0.00 C ATOM 0 H MET A 51 -8.083 -6.357 -10.876 1.00 0.00 H new ATOM 0 HA MET A 51 -6.377 -6.453 -13.305 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.025 -7.795 -10.597 1.00 0.00 H new ATOM 0 HB3 MET A 51 -4.966 -7.992 -11.980 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.455 -5.402 -10.465 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.029 -6.412 -10.342 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.685 -2.881 -11.930 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.490 -3.896 -10.481 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.209 -3.852 -11.716 1.00 0.00 H new ATOM 807 N ALA A 52 -6.811 -9.192 -13.315 1.00 0.00 N ATOM 808 CA ALA A 52 -7.409 -10.466 -13.698 1.00 0.00 C ATOM 809 C ALA A 52 -8.147 -11.091 -12.515 1.00 0.00 C ATOM 810 O ALA A 52 -7.530 -11.456 -11.509 1.00 0.00 O ATOM 811 CB ALA A 52 -6.340 -11.418 -14.225 1.00 0.00 C ATOM 0 H ALA A 52 -5.801 -9.144 -13.452 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.131 -10.282 -14.493 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.802 -12.364 -14.507 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.857 -10.976 -15.097 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.596 -11.595 -13.449 1.00 0.00 H new ATOM 817 N ALA A 53 -9.468 -11.195 -12.638 1.00 0.00 N ATOM 818 CA ALA A 53 -10.303 -11.747 -11.579 1.00 0.00 C ATOM 819 C ALA A 53 -9.870 -13.174 -11.256 1.00 0.00 C ATOM 820 O ALA A 53 -9.624 -13.520 -10.096 1.00 0.00 O ATOM 821 CB ALA A 53 -11.773 -11.703 -11.987 1.00 0.00 C ATOM 0 H ALA A 53 -9.984 -10.901 -13.467 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.181 -11.141 -10.681 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.385 -12.118 -11.187 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.069 -10.670 -12.171 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.916 -12.289 -12.895 1.00 0.00 H new ATOM 827 N ASP A 54 -9.752 -13.989 -12.299 1.00 0.00 N ATOM 828 CA ASP A 54 -9.311 -15.370 -12.152 1.00 0.00 C ATOM 829 C ASP A 54 -7.791 -15.433 -12.031 1.00 0.00 C ATOM 830 O ASP A 54 -7.081 -15.728 -12.997 1.00 0.00 O ATOM 831 CB ASP A 54 -9.795 -16.232 -13.328 1.00 0.00 C ATOM 832 CG ASP A 54 -11.302 -16.438 -13.327 1.00 0.00 C ATOM 833 OD1 ASP A 54 -12.027 -15.570 -13.852 1.00 0.00 O ATOM 834 OD2 ASP A 54 -11.769 -17.474 -12.807 1.00 0.00 O ATOM 0 H ASP A 54 -9.957 -13.714 -13.260 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.750 -15.771 -11.238 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.498 -15.760 -14.265 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.300 -17.202 -13.289 1.00 0.00 H new ATOM 839 N THR A 55 -7.301 -15.090 -10.847 1.00 0.00 N ATOM 840 CA THR A 55 -5.888 -15.225 -10.515 1.00 0.00 C ATOM 841 C THR A 55 -5.718 -16.240 -9.384 1.00 0.00 C ATOM 842 O THR A 55 -5.927 -15.912 -8.218 1.00 0.00 O ATOM 843 CB THR A 55 -5.271 -13.860 -10.105 1.00 0.00 C ATOM 844 OG1 THR A 55 -6.231 -13.083 -9.368 1.00 0.00 O ATOM 845 CG2 THR A 55 -4.801 -13.075 -11.325 1.00 0.00 C ATOM 0 H THR A 55 -7.870 -14.711 -10.090 1.00 0.00 H new ATOM 0 HA THR A 55 -5.361 -15.577 -11.402 1.00 0.00 H new ATOM 0 HB THR A 55 -4.405 -14.061 -9.474 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.734 -12.513 -9.986 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.374 -12.125 -11.004 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.045 -13.651 -11.859 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.648 -12.888 -11.986 1.00 0.00 H new ATOM 853 N PRO A 56 -5.367 -17.498 -9.717 1.00 0.00 N ATOM 854 CA PRO A 56 -5.198 -18.563 -8.721 1.00 0.00 C ATOM 855 C PRO A 56 -3.870 -18.457 -7.971 1.00 0.00 C ATOM 856 O PRO A 56 -3.627 -19.186 -7.007 1.00 0.00 O ATOM 857 CB PRO A 56 -5.247 -19.837 -9.571 1.00 0.00 C ATOM 858 CG PRO A 56 -4.690 -19.420 -10.892 1.00 0.00 C ATOM 859 CD PRO A 56 -5.126 -17.989 -11.094 1.00 0.00 C ATOM 0 HA PRO A 56 -5.957 -18.525 -7.940 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.656 -20.636 -9.124 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.266 -20.211 -9.669 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.603 -19.502 -10.901 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.064 -20.059 -11.692 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.358 -17.404 -11.599 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.027 -17.927 -11.705 1.00 0.00 H new ATOM 867 N LEU A 57 -3.017 -17.538 -8.414 1.00 0.00 N ATOM 868 CA LEU A 57 -1.692 -17.360 -7.826 1.00 0.00 C ATOM 869 C LEU A 57 -1.655 -16.145 -6.889 1.00 0.00 C ATOM 870 O LEU A 57 -2.405 -15.176 -7.075 1.00 0.00 O ATOM 871 CB LEU A 57 -0.629 -17.247 -8.943 1.00 0.00 C ATOM 872 CG LEU A 57 -0.957 -16.294 -10.117 1.00 0.00 C ATOM 873 CD1 LEU A 57 -0.827 -14.826 -9.716 1.00 0.00 C ATOM 874 CD2 LEU A 57 -0.063 -16.602 -11.317 1.00 0.00 C ATOM 0 H LEU A 57 -3.221 -16.901 -9.184 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.461 -18.236 -7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.307 -16.921 -8.491 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.456 -18.243 -9.351 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.997 -16.463 -10.395 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.066 -14.193 -10.570 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.516 -14.609 -8.900 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.194 -14.627 -9.391 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.305 -15.924 -12.135 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.982 -16.472 -11.035 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.227 -17.631 -11.638 1.00 0.00 H new ATOM 886 N PRO A 58 -0.801 -16.192 -5.845 1.00 0.00 N ATOM 887 CA PRO A 58 -0.607 -15.062 -4.935 1.00 0.00 C ATOM 888 C PRO A 58 0.159 -13.925 -5.614 1.00 0.00 C ATOM 889 O PRO A 58 1.392 -13.918 -5.648 1.00 0.00 O ATOM 890 CB PRO A 58 0.193 -15.665 -3.771 1.00 0.00 C ATOM 891 CG PRO A 58 0.924 -16.819 -4.374 1.00 0.00 C ATOM 892 CD PRO A 58 0.030 -17.357 -5.464 1.00 0.00 C ATOM 0 HA PRO A 58 -1.547 -14.616 -4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.884 -14.937 -3.346 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.464 -15.990 -2.965 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.885 -16.503 -4.779 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.130 -17.584 -3.625 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.609 -17.729 -6.309 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.582 -18.186 -5.107 1.00 0.00 H new ATOM 900 N ILE A 59 -0.587 -12.992 -6.195 1.00 0.00 N ATOM 901 CA ILE A 59 -0.003 -11.857 -6.904 1.00 0.00 C ATOM 902 C ILE A 59 0.131 -10.653 -5.973 1.00 0.00 C ATOM 903 O ILE A 59 -0.733 -10.413 -5.122 1.00 0.00 O ATOM 904 CB ILE A 59 -0.856 -11.473 -8.146 1.00 0.00 C ATOM 905 CG1 ILE A 59 -0.285 -10.224 -8.848 1.00 0.00 C ATOM 906 CG2 ILE A 59 -2.316 -11.261 -7.753 1.00 0.00 C ATOM 907 CD1 ILE A 59 -1.062 -9.801 -10.080 1.00 0.00 C ATOM 0 H ILE A 59 -1.607 -12.999 -6.189 1.00 0.00 H new ATOM 0 HA ILE A 59 0.989 -12.154 -7.245 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.812 -12.300 -8.854 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.269 -9.396 -8.139 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.749 -10.420 -9.132 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.895 -10.993 -8.637 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.714 -12.180 -7.323 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.382 -10.458 -7.019 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.598 -8.916 -10.517 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.057 -10.611 -10.809 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.090 -9.571 -9.801 1.00 0.00 H new ATOM 919 N THR A 60 1.222 -9.915 -6.133 1.00 0.00 N ATOM 920 CA THR A 60 1.485 -8.725 -5.337 1.00 0.00 C ATOM 921 C THR A 60 1.138 -7.467 -6.137 1.00 0.00 C ATOM 922 O THR A 60 1.661 -7.257 -7.234 1.00 0.00 O ATOM 923 CB THR A 60 2.969 -8.678 -4.907 1.00 0.00 C ATOM 924 OG1 THR A 60 3.309 -9.881 -4.198 1.00 0.00 O ATOM 925 CG2 THR A 60 3.252 -7.469 -4.024 1.00 0.00 C ATOM 0 H THR A 60 1.948 -10.125 -6.818 1.00 0.00 H new ATOM 0 HA THR A 60 0.861 -8.764 -4.444 1.00 0.00 H new ATOM 0 HB THR A 60 3.578 -8.594 -5.807 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.251 -9.847 -3.929 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.304 -7.465 -3.739 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.021 -6.556 -4.573 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.633 -7.520 -3.128 1.00 0.00 H new ATOM 933 N VAL A 61 0.251 -6.639 -5.590 1.00 0.00 N ATOM 934 CA VAL A 61 -0.205 -5.421 -6.263 1.00 0.00 C ATOM 935 C VAL A 61 -0.021 -4.203 -5.360 1.00 0.00 C ATOM 936 O VAL A 61 0.465 -4.320 -4.230 1.00 0.00 O ATOM 937 CB VAL A 61 -1.692 -5.518 -6.693 1.00 0.00 C ATOM 938 CG1 VAL A 61 -1.879 -6.588 -7.766 1.00 0.00 C ATOM 939 CG2 VAL A 61 -2.591 -5.791 -5.487 1.00 0.00 C ATOM 0 H VAL A 61 -0.171 -6.790 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 61 0.405 -5.309 -7.159 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.984 -4.558 -7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.930 -6.637 -8.051 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.277 -6.337 -8.639 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.564 -7.555 -7.374 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.629 -5.855 -5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.299 -6.732 -5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.487 -4.981 -4.765 1.00 0.00 H new ATOM 949 N GLU A 62 -0.375 -3.031 -5.883 1.00 0.00 N ATOM 950 CA GLU A 62 -0.305 -1.786 -5.123 1.00 0.00 C ATOM 951 C GLU A 62 -1.359 -1.777 -4.018 1.00 0.00 C ATOM 952 O GLU A 62 -2.426 -2.375 -4.159 1.00 0.00 O ATOM 953 CB GLU A 62 -0.487 -0.569 -6.046 1.00 0.00 C ATOM 954 CG GLU A 62 0.674 -0.336 -7.012 1.00 0.00 C ATOM 955 CD GLU A 62 0.939 -1.526 -7.920 1.00 0.00 C ATOM 956 OE1 GLU A 62 0.043 -1.880 -8.711 1.00 0.00 O ATOM 957 OE2 GLU A 62 2.032 -2.126 -7.829 1.00 0.00 O ATOM 0 H GLU A 62 -0.716 -2.918 -6.838 1.00 0.00 H new ATOM 0 HA GLU A 62 0.682 -1.722 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.404 -0.698 -6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.619 0.322 -5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.460 0.540 -7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.576 -0.114 -6.441 1.00 0.00 H new ATOM 964 N ALA A 63 -1.048 -1.093 -2.923 1.00 0.00 N ATOM 965 CA ALA A 63 -1.932 -1.039 -1.765 1.00 0.00 C ATOM 966 C ALA A 63 -2.356 0.394 -1.468 1.00 0.00 C ATOM 967 O ALA A 63 -1.526 1.306 -1.451 1.00 0.00 O ATOM 968 CB ALA A 63 -1.236 -1.642 -0.547 1.00 0.00 C ATOM 0 H ALA A 63 -0.183 -0.564 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.827 -1.619 -1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.904 -1.597 0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.978 -2.681 -0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.328 -1.079 -0.331 1.00 0.00 H new ATOM 974 N ARG A 64 -3.649 0.583 -1.243 1.00 0.00 N ATOM 975 CA ARG A 64 -4.192 1.870 -0.823 1.00 0.00 C ATOM 976 C ARG A 64 -5.181 1.649 0.316 1.00 0.00 C ATOM 977 O ARG A 64 -6.147 0.897 0.175 1.00 0.00 O ATOM 978 CB ARG A 64 -4.874 2.583 -2.000 1.00 0.00 C ATOM 979 CG ARG A 64 -5.618 3.861 -1.611 1.00 0.00 C ATOM 980 CD ARG A 64 -4.677 4.938 -1.082 1.00 0.00 C ATOM 981 NE ARG A 64 -5.406 6.114 -0.602 1.00 0.00 N ATOM 982 CZ ARG A 64 -4.891 7.345 -0.540 1.00 0.00 C ATOM 983 NH1 ARG A 64 -3.655 7.579 -0.965 1.00 0.00 N ATOM 984 NH2 ARG A 64 -5.617 8.346 -0.062 1.00 0.00 N ATOM 0 H ARG A 64 -4.351 -0.150 -1.346 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.378 2.506 -0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.120 2.828 -2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.577 1.895 -2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.155 4.245 -2.478 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.364 3.628 -0.851 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.076 4.528 -0.271 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.987 5.236 -1.871 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.370 5.985 -0.295 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.092 6.816 -1.342 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.268 8.521 -0.915 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.570 8.177 0.259 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.222 9.285 -0.015 1.00 0.00 H new ATOM 998 N LYS A 65 -4.921 2.285 1.448 1.00 0.00 N ATOM 999 CA LYS A 65 -5.754 2.127 2.632 1.00 0.00 C ATOM 1000 C LYS A 65 -6.976 3.044 2.570 1.00 0.00 C ATOM 1001 O LYS A 65 -6.844 4.259 2.417 1.00 0.00 O ATOM 1002 CB LYS A 65 -4.927 2.425 3.893 1.00 0.00 C ATOM 1003 CG LYS A 65 -5.731 2.427 5.191 1.00 0.00 C ATOM 1004 CD LYS A 65 -6.444 1.099 5.432 1.00 0.00 C ATOM 1005 CE LYS A 65 -7.233 1.114 6.737 1.00 0.00 C ATOM 1006 NZ LYS A 65 -8.217 2.229 6.778 1.00 0.00 N ATOM 0 H LYS A 65 -4.133 2.921 1.573 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.109 1.097 2.670 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.132 1.684 3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.447 3.397 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.065 2.637 6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.466 3.231 5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.118 0.891 4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.712 0.292 5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.755 0.165 6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.544 1.207 7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.779 2.164 7.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.712 3.138 6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.848 2.165 5.954 1.00 0.00 H new ATOM 1020 N LEU A 66 -8.163 2.450 2.676 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.407 3.210 2.760 1.00 0.00 C ATOM 1022 C LEU A 66 -9.785 3.383 4.230 1.00 0.00 C ATOM 1023 O LEU A 66 -10.314 2.421 4.828 1.00 0.00 O ATOM 1024 CB LEU A 66 -10.548 2.511 1.994 1.00 0.00 C ATOM 1025 CG LEU A 66 -10.453 2.536 0.456 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -9.221 1.791 -0.037 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -11.721 1.954 -0.168 1.00 0.00 C ATOM 1028 OXT LEU A 66 -9.514 4.463 4.794 1.00 0.00 O ATOM 0 H LEU A 66 -8.289 1.438 2.706 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.253 4.185 2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.590 1.471 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.490 2.974 2.286 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.357 3.576 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.185 1.828 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.325 2.258 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.269 0.752 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.637 1.980 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.849 0.923 0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.583 2.544 0.143 1.00 0.00 H new