USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 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 165 SER OG : rot 180:sc= 0 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 SER OG : rot 180:sc= -0.842 USER MOD Single : A 173 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 ASN : amide:sc= -6.29! C(o=-6.3!,f=-7.1!) USER MOD Single : A 191 TYR OH : rot 172:sc= -2.92 USER MOD Single : A 193 TYR OH : rot 120:sc= -3.54! USER MOD Single : A 194 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 SER OG : rot 180:sc= 0 USER MOD Single : A 198 LYS NZ :NH3+ -138:sc= -0.178 (180deg=-2.15!) USER MOD Single : A 199 SER OG : rot 180:sc=-0.00204 USER MOD Single : A 207 SER OG : rot -177:sc= -0.862 USER MOD Single : A 209 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.4!) USER MOD Single : A 210 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 213 GLN : amide:sc= -5.54 K(o=-5.5,f=-16!) USER MOD Single : A 217 ASN : amide:sc= -10.8! C(o=-11!,f=-14!) USER MOD Single : A 218 TYR OH : rot 180:sc= 0 USER MOD Single : A 222 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 223 THR OG1 : rot 19:sc= 0.314 USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 230 LYS NZ :NH3+ 144:sc= 0.0986 (180deg=0) USER MOD Single : A 233 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00501) USER MOD Single : A 236 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.4) USER MOD Single : A 238 GLN : amide:sc=-0.00452 K(o=-0.0045,f=-2.4) USER MOD Single : A 239 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0163) USER MOD Single : A 240 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 160 15.583 8.002 -11.027 -0.36 0.02 N ATOM 26 CA ASP A 160 16.297 8.906 -10.130 1.00 0.01 C ATOM 27 C ASP A 160 17.273 8.138 -9.242 0.48 0.02 C ATOM 28 O ASP A 160 18.476 8.112 -9.503 -0.48 0.02 O ATOM 29 CB ASP A 160 15.307 9.694 -9.262 -0.45 0.01 C ATOM 30 CG ASP A 160 14.013 8.940 -9.009 0.49 0.01 C ATOM 31 OD1 ASP A 160 13.127 8.971 -9.889 -0.62 0.01 O ATOM 32 OD2 ASP A 160 13.889 8.316 -7.933 -0.62 0.01 O ATOM 0 HA ASP A 160 16.866 9.606 -10.742 1.00 0.01 H new ATOM 0 HB2 ASP A 160 15.777 9.930 -8.307 -0.45 0.01 H new ATOM 0 HB3 ASP A 160 15.080 10.642 -9.749 -0.45 0.01 H new ATOM 37 N VAL A 161 16.747 7.514 -8.193 -0.36 0.01 N ATOM 38 CA VAL A 161 17.565 6.744 -7.265 1.00 0.01 C ATOM 39 C VAL A 161 16.708 5.736 -6.506 0.48 0.01 C ATOM 40 O VAL A 161 15.536 6.001 -6.221 -0.48 0.01 O ATOM 41 CB VAL A 161 18.290 7.660 -6.257 -0.10 0.01 C ATOM 42 CG1 VAL A 161 17.287 8.442 -5.423 -0.30 0.02 C ATOM 43 CG2 VAL A 161 19.219 6.848 -5.366 -0.30 0.02 C ATOM 0 H VAL A 161 15.753 7.527 -7.964 -0.36 0.01 H new ATOM 0 HA VAL A 161 18.314 6.215 -7.854 1.00 0.01 H new ATOM 0 HB VAL A 161 18.894 8.374 -6.817 -0.10 0.01 H new ATOM 0 HG11 VAL A 161 17.819 9.081 -4.719 -0.30 0.02 H new ATOM 0 HG12 VAL A 161 16.671 9.058 -6.078 -0.30 0.02 H new ATOM 0 HG13 VAL A 161 16.651 7.748 -4.874 -0.30 0.02 H new ATOM 0 HG21 VAL A 161 19.721 7.512 -4.662 -0.30 0.02 H new ATOM 0 HG22 VAL A 161 18.639 6.107 -4.815 -0.30 0.02 H new ATOM 0 HG23 VAL A 161 19.963 6.342 -5.981 -0.30 0.02 H new ATOM 53 N ASP A 162 17.296 4.577 -6.190 -0.36 0.01 N ATOM 54 CA ASP A 162 16.585 3.519 -5.471 1.00 0.01 C ATOM 55 C ASP A 162 15.203 3.298 -6.076 0.48 0.01 C ATOM 56 O ASP A 162 14.304 4.120 -5.905 -0.48 0.02 O ATOM 57 CB ASP A 162 16.460 3.874 -3.988 -0.45 0.01 C ATOM 58 CG ASP A 162 17.691 3.482 -3.194 0.49 0.02 C ATOM 59 OD1 ASP A 162 18.724 4.172 -3.321 -0.62 0.02 O ATOM 60 OD2 ASP A 162 17.621 2.484 -2.446 -0.62 0.02 O ATOM 0 H ASP A 162 18.263 4.350 -6.422 -0.36 0.01 H new ATOM 0 HA ASP A 162 17.157 2.596 -5.564 1.00 0.01 H new ATOM 0 HB2 ASP A 162 16.292 4.946 -3.887 -0.45 0.01 H new ATOM 0 HB3 ASP A 162 15.587 3.374 -3.570 -0.45 0.01 H new ATOM 65 N GLU A 163 15.028 2.197 -6.796 -0.36 0.02 N ATOM 66 CA GLU A 163 13.744 1.926 -7.421 1.00 0.02 C ATOM 67 C GLU A 163 13.111 0.662 -6.864 0.48 0.02 C ATOM 68 O GLU A 163 11.895 0.589 -6.687 -0.48 0.02 O ATOM 69 CB GLU A 163 13.900 1.824 -8.940 -0.20 0.01 C ATOM 70 CG GLU A 163 14.861 2.851 -9.523 -0.45 0.01 C ATOM 71 CD GLU A 163 14.337 4.274 -9.425 0.49 0.01 C ATOM 72 OE1 GLU A 163 14.156 4.768 -8.289 -0.62 0.01 O ATOM 73 OE2 GLU A 163 14.109 4.895 -10.484 -0.62 0.01 O ATOM 0 H GLU A 163 15.745 1.490 -6.959 -0.36 0.02 H new ATOM 0 HA GLU A 163 13.079 2.759 -7.192 1.00 0.02 H new ATOM 0 HB2 GLU A 163 14.251 0.824 -9.195 -0.20 0.01 H new ATOM 0 HB3 GLU A 163 12.923 1.947 -9.407 -0.20 0.01 H new ATOM 0 HG2 GLU A 163 15.816 2.784 -9.002 -0.45 0.01 H new ATOM 0 HG3 GLU A 163 15.051 2.610 -10.569 -0.45 0.01 H new ATOM 80 N CYS A 164 13.942 -0.325 -6.581 -0.36 0.02 N ATOM 81 CA CYS A 164 13.469 -1.586 -6.033 1.00 0.02 C ATOM 82 C CYS A 164 14.237 -1.935 -4.759 0.48 0.02 C ATOM 83 O CYS A 164 14.073 -3.017 -4.193 -0.48 0.02 O ATOM 84 CB CYS A 164 13.614 -2.687 -7.077 0.20 0.02 C ATOM 85 SG CYS A 164 13.121 -2.173 -8.758 -0.20 0.02 S ATOM 0 H CYS A 164 14.951 -0.278 -6.722 -0.36 0.02 H new ATOM 0 HA CYS A 164 12.415 -1.491 -5.773 1.00 0.02 H new ATOM 0 HB2 CYS A 164 14.651 -3.021 -7.098 0.20 0.02 H new ATOM 0 HB3 CYS A 164 13.010 -3.543 -6.776 0.20 0.02 H new ATOM 90 N SER A 165 15.060 -0.992 -4.309 -0.36 0.02 N ATOM 91 CA SER A 165 15.850 -1.151 -3.098 1.00 0.02 C ATOM 92 C SER A 165 15.715 0.103 -2.235 0.48 0.02 C ATOM 93 O SER A 165 16.578 0.399 -1.408 -0.48 0.02 O ATOM 94 CB SER A 165 17.319 -1.393 -3.450 0.08 0.02 C ATOM 95 OG SER A 165 17.870 -2.429 -2.656 -0.68 0.02 O ATOM 0 H SER A 165 15.196 -0.096 -4.777 -0.36 0.02 H new ATOM 0 HA SER A 165 15.483 -2.013 -2.542 1.00 0.02 H new ATOM 0 HB2 SER A 165 17.405 -1.654 -4.505 0.08 0.02 H new ATOM 0 HB3 SER A 165 17.888 -0.475 -3.301 0.08 0.02 H new ATOM 0 HG SER A 165 18.809 -2.565 -2.901 -0.68 0.02 H new ATOM 101 N LEU A 166 14.623 0.842 -2.448 -0.36 0.02 N ATOM 102 CA LEU A 166 14.364 2.073 -1.709 1.00 0.02 C ATOM 103 C LEU A 166 13.965 1.768 -0.270 0.48 0.02 C ATOM 104 O LEU A 166 14.408 2.434 0.666 -0.48 0.02 O ATOM 105 CB LEU A 166 13.255 2.872 -2.402 -0.20 0.02 C ATOM 106 CG LEU A 166 13.173 4.353 -2.021 -0.10 0.02 C ATOM 107 CD1 LEU A 166 13.970 5.198 -3.004 -0.30 0.02 C ATOM 108 CD2 LEU A 166 11.721 4.812 -1.975 -0.30 0.02 C ATOM 0 H LEU A 166 13.903 0.605 -3.130 -0.36 0.02 H new ATOM 0 HA LEU A 166 15.279 2.665 -1.692 1.00 0.02 H new ATOM 0 HB2 LEU A 166 13.398 2.800 -3.480 -0.20 0.02 H new ATOM 0 HB3 LEU A 166 12.297 2.403 -2.176 -0.20 0.02 H new ATOM 0 HG LEU A 166 13.605 4.480 -1.028 -0.10 0.02 H new ATOM 0 HD11 LEU A 166 13.902 6.248 -2.720 -0.30 0.02 H new ATOM 0 HD12 LEU A 166 15.014 4.885 -2.990 -0.30 0.02 H new ATOM 0 HD13 LEU A 166 13.566 5.067 -4.008 -0.30 0.02 H new ATOM 0 HD21 LEU A 166 11.681 5.867 -1.703 -0.30 0.02 H new ATOM 0 HD22 LEU A 166 11.264 4.673 -2.955 -0.30 0.02 H new ATOM 0 HD23 LEU A 166 11.177 4.225 -1.234 -0.30 0.02 H new ATOM 120 N LYS A 167 13.124 0.754 -0.106 -0.36 0.02 N ATOM 121 CA LYS A 167 12.654 0.347 1.212 1.00 0.02 C ATOM 122 C LYS A 167 13.176 -1.044 1.565 0.48 0.02 C ATOM 123 O LYS A 167 13.719 -1.744 0.711 -0.48 0.02 O ATOM 124 CB LYS A 167 11.123 0.362 1.250 -0.20 0.02 C ATOM 125 CG LYS A 167 10.545 1.612 1.892 -0.20 0.02 C ATOM 126 CD LYS A 167 9.257 1.310 2.640 -0.20 0.02 C ATOM 127 CE LYS A 167 8.146 0.895 1.689 0.30 5.02 C ATOM 128 NZ LYS A 167 7.398 2.070 1.163 -0.81 0.02 N ATOM 0 H LYS A 167 12.752 0.196 -0.874 -0.36 0.02 H new ATOM 0 HA LYS A 167 13.035 1.054 1.949 1.00 0.02 H new ATOM 0 HB2 LYS A 167 10.741 0.276 0.233 -0.20 0.02 H new ATOM 0 HB3 LYS A 167 10.772 -0.513 1.797 -0.20 0.02 H new ATOM 0 HG2 LYS A 167 11.275 2.040 2.580 -0.20 0.02 H new ATOM 0 HG3 LYS A 167 10.354 2.361 1.124 -0.20 0.02 H new ATOM 0 HD2 LYS A 167 9.433 0.515 3.364 -0.20 0.02 H new ATOM 0 HD3 LYS A 167 8.946 2.191 3.202 -0.20 0.02 H new ATOM 0 HE2 LYS A 167 8.571 0.333 0.857 0.30 5.02 H new ATOM 0 HE3 LYS A 167 7.457 0.227 2.205 0.30 5.02 H new ATOM 0 HZ1 LYS A 167 6.649 1.745 0.519 -0.81 0.02 H new ATOM 0 HZ2 LYS A 167 6.971 2.592 1.954 -0.81 0.02 H new ATOM 0 HZ3 LYS A 167 8.051 2.695 0.648 -0.81 0.02 H new ATOM 142 N PRO A 168 13.023 -1.465 2.834 -0.36 0.02 N ATOM 143 CA PRO A 168 13.483 -2.774 3.299 1.00 0.02 C ATOM 144 C PRO A 168 13.166 -3.897 2.313 0.48 0.02 C ATOM 145 O PRO A 168 13.979 -4.799 2.109 -0.48 0.02 O ATOM 146 CB PRO A 168 12.722 -2.986 4.621 -0.20 0.02 C ATOM 147 CG PRO A 168 11.825 -1.797 4.783 -0.20 0.02 C ATOM 148 CD PRO A 168 12.398 -0.709 3.923 0.06 0.02 C ATOM 0 HA PRO A 168 14.567 -2.797 3.411 1.00 0.02 H new ATOM 0 HB2 PRO A 168 12.143 -3.909 4.593 -0.20 0.02 H new ATOM 0 HB3 PRO A 168 13.414 -3.069 5.459 -0.20 0.02 H new ATOM 0 HG2 PRO A 168 10.806 -2.036 4.478 -0.20 0.02 H new ATOM 0 HG3 PRO A 168 11.781 -1.484 5.826 -0.20 0.02 H new ATOM 0 HD2 PRO A 168 11.626 -0.032 3.557 0.06 0.02 H new ATOM 0 HD3 PRO A 168 13.123 -0.102 4.465 0.06 0.02 H new ATOM 156 N SER A 169 11.984 -3.844 1.706 -0.36 0.02 N ATOM 157 CA SER A 169 11.581 -4.869 0.749 1.00 0.02 C ATOM 158 C SER A 169 10.458 -4.381 -0.163 0.48 0.02 C ATOM 159 O SER A 169 9.279 -4.505 0.167 -0.48 0.02 O ATOM 160 CB SER A 169 11.136 -6.133 1.486 0.08 0.02 C ATOM 161 OG SER A 169 11.806 -6.262 2.728 -0.68 0.02 O ATOM 0 H SER A 169 11.294 -3.109 1.858 -0.36 0.02 H new ATOM 0 HA SER A 169 12.446 -5.095 0.126 1.00 0.02 H new ATOM 0 HB2 SER A 169 10.059 -6.101 1.652 0.08 0.02 H new ATOM 0 HB3 SER A 169 11.337 -7.008 0.868 0.08 0.02 H new ATOM 0 HG SER A 169 11.503 -7.077 3.180 -0.68 0.02 H new ATOM 167 N ILE A 170 10.832 -3.843 -1.321 -0.36 0.02 N ATOM 168 CA ILE A 170 9.854 -3.355 -2.289 1.00 0.02 C ATOM 169 C ILE A 170 9.641 -4.367 -3.400 0.48 0.02 C ATOM 170 O ILE A 170 8.626 -5.062 -3.446 -0.48 0.02 O ATOM 171 CB ILE A 170 10.297 -2.038 -2.952 -0.10 0.02 C ATOM 172 CG1 ILE A 170 10.625 -0.977 -1.897 -0.20 0.02 C ATOM 173 CG2 ILE A 170 9.230 -1.538 -3.914 -0.30 0.02 C ATOM 174 CD1 ILE A 170 10.246 0.431 -2.313 -0.30 0.02 C ATOM 0 H ILE A 170 11.804 -3.734 -1.611 -0.36 0.02 H new ATOM 0 HA ILE A 170 8.935 -3.191 -1.727 1.00 0.02 H new ATOM 0 HB ILE A 170 11.205 -2.232 -3.523 -0.10 0.02 H new ATOM 0 HG12 ILE A 170 10.106 -1.225 -0.971 -0.20 0.02 H new ATOM 0 HG13 ILE A 170 11.693 -1.008 -1.682 -0.20 0.02 H new ATOM 0 HG21 ILE A 170 9.561 -0.606 -4.373 -0.30 0.02 H new ATOM 0 HG22 ILE A 170 9.061 -2.285 -4.690 -0.30 0.02 H new ATOM 0 HG23 ILE A 170 8.302 -1.364 -3.370 -0.30 0.02 H new ATOM 0 HD11 ILE A 170 10.507 1.128 -1.517 -0.30 0.02 H new ATOM 0 HD12 ILE A 170 10.784 0.699 -3.222 -0.30 0.02 H new ATOM 0 HD13 ILE A 170 9.173 0.479 -2.499 -0.30 0.02 H new ATOM 186 N CYS A 171 10.607 -4.419 -4.311 -0.36 0.02 N ATOM 187 CA CYS A 171 10.533 -5.312 -5.444 1.00 0.02 C ATOM 188 C CYS A 171 11.903 -5.887 -5.791 0.48 0.02 C ATOM 189 O CYS A 171 12.113 -6.390 -6.894 -0.48 0.02 O ATOM 190 CB CYS A 171 9.972 -4.553 -6.643 0.20 0.02 C ATOM 191 SG CYS A 171 8.163 -4.638 -6.802 -0.20 0.02 S ATOM 0 H CYS A 171 11.451 -3.847 -4.279 -0.36 0.02 H new ATOM 0 HA CYS A 171 9.878 -6.144 -5.186 1.00 0.02 H new ATOM 0 HB2 CYS A 171 10.270 -3.507 -6.568 0.20 0.02 H new ATOM 0 HB3 CYS A 171 10.424 -4.949 -7.553 0.20 0.02 H new ATOM 196 N GLY A 172 12.833 -5.788 -4.851 -0.36 0.02 N ATOM 197 CA GLY A 172 14.177 -6.275 -5.078 -0.10 0.02 C ATOM 198 C GLY A 172 14.843 -5.491 -6.178 0.48 0.02 C ATOM 199 O GLY A 172 15.580 -4.538 -5.924 -0.48 0.02 O ATOM 0 H GLY A 172 12.678 -5.377 -3.931 -0.36 0.02 H new ATOM 0 HA2 GLY A 172 14.760 -6.193 -4.161 -0.10 0.02 H new ATOM 0 HA3 GLY A 172 14.147 -7.332 -5.343 -0.10 0.02 H new ATOM 203 N THR A 173 14.553 -5.883 -7.405 -0.36 0.02 N ATOM 204 CA THR A 173 15.078 -5.221 -8.576 1.00 0.02 C ATOM 205 C THR A 173 14.455 -5.828 -9.822 0.48 0.02 C ATOM 206 O THR A 173 15.109 -5.974 -10.855 -0.48 0.02 O ATOM 207 CB THR A 173 16.601 -5.304 -8.622 0.18 0.02 C ATOM 208 OG1 THR A 173 17.110 -5.994 -7.494 -0.68 0.02 O ATOM 209 CG2 THR A 173 17.264 -3.938 -8.669 -0.30 0.02 C ATOM 0 H THR A 173 13.943 -6.674 -7.614 -0.36 0.02 H new ATOM 0 HA THR A 173 14.818 -4.163 -8.531 1.00 0.02 H new ATOM 0 HB THR A 173 16.835 -5.843 -9.540 0.18 0.02 H new ATOM 0 HG1 THR A 173 18.088 -6.034 -7.549 -0.68 0.02 H new ATOM 0 HG21 THR A 173 18.347 -4.060 -8.700 -0.30 0.02 H new ATOM 0 HG22 THR A 173 16.933 -3.403 -9.559 -0.30 0.02 H new ATOM 0 HG23 THR A 173 16.989 -3.369 -7.781 -0.30 0.02 H new ATOM 217 N ALA A 174 13.170 -6.174 -9.713 -0.36 0.02 N ATOM 218 CA ALA A 174 12.442 -6.756 -10.830 1.00 0.02 C ATOM 219 C ALA A 174 12.025 -5.655 -11.800 0.48 0.02 C ATOM 220 O ALA A 174 12.706 -4.637 -11.919 -0.48 0.02 O ATOM 221 CB ALA A 174 11.224 -7.529 -10.321 -0.30 0.02 C ATOM 0 H ALA A 174 12.618 -6.059 -8.863 -0.36 0.02 H new ATOM 0 HA ALA A 174 13.089 -7.457 -11.358 1.00 0.02 H new ATOM 0 HB1 ALA A 174 10.687 -7.960 -11.166 -0.30 0.02 H new ATOM 0 HB2 ALA A 174 11.552 -8.327 -9.655 -0.30 0.02 H new ATOM 0 HB3 ALA A 174 10.564 -6.852 -9.779 -0.30 0.02 H new ATOM 227 N VAL A 175 10.905 -5.847 -12.480 -0.36 0.02 N ATOM 228 CA VAL A 175 10.410 -4.848 -13.422 1.00 0.02 C ATOM 229 C VAL A 175 9.649 -3.766 -12.668 0.48 0.02 C ATOM 230 O VAL A 175 8.447 -3.577 -12.863 -0.48 0.02 O ATOM 231 CB VAL A 175 9.490 -5.464 -14.497 -0.10 0.02 C ATOM 232 CG1 VAL A 175 9.454 -4.584 -15.736 -0.30 0.02 C ATOM 233 CG2 VAL A 175 9.941 -6.874 -14.853 -0.30 0.02 C ATOM 0 H VAL A 175 10.322 -6.680 -12.400 -0.36 0.02 H new ATOM 0 HA VAL A 175 11.275 -4.422 -13.930 1.00 0.02 H new ATOM 0 HB VAL A 175 8.481 -5.524 -14.088 -0.10 0.02 H new ATOM 0 HG11 VAL A 175 8.800 -5.034 -16.483 -0.30 0.02 H new ATOM 0 HG12 VAL A 175 9.076 -3.597 -15.470 -0.30 0.02 H new ATOM 0 HG13 VAL A 175 10.460 -4.489 -16.144 -0.30 0.02 H new ATOM 0 HG21 VAL A 175 9.277 -7.287 -15.612 -0.30 0.02 H new ATOM 0 HG22 VAL A 175 10.960 -6.844 -15.239 -0.30 0.02 H new ATOM 0 HG23 VAL A 175 9.909 -7.502 -13.963 -0.30 0.02 H new ATOM 243 N CYS A 176 10.360 -3.076 -11.783 -0.36 0.02 N ATOM 244 CA CYS A 176 9.764 -2.030 -10.965 1.00 0.02 C ATOM 245 C CYS A 176 10.150 -0.639 -11.450 0.48 0.02 C ATOM 246 O CYS A 176 11.329 -0.306 -11.559 -0.48 0.02 O ATOM 247 CB CYS A 176 10.163 -2.206 -9.491 0.20 0.02 C ATOM 248 SG CYS A 176 11.542 -3.369 -9.191 -0.20 0.02 S ATOM 0 H CYS A 176 11.355 -3.225 -11.614 -0.36 0.02 H new ATOM 0 HA CYS A 176 8.682 -2.124 -11.057 1.00 0.02 H new ATOM 0 HB2 CYS A 176 10.436 -1.231 -9.086 0.20 0.02 H new ATOM 0 HB3 CYS A 176 9.291 -2.550 -8.934 0.20 0.02 H new ATOM 253 N LYS A 177 9.134 0.175 -11.714 -0.36 0.02 N ATOM 254 CA LYS A 177 9.340 1.546 -12.161 1.00 0.02 C ATOM 255 C LYS A 177 9.135 2.494 -10.988 0.48 0.02 C ATOM 256 O LYS A 177 8.005 2.856 -10.659 -0.48 0.02 O ATOM 257 CB LYS A 177 8.377 1.893 -13.301 -0.20 0.02 C ATOM 258 CG LYS A 177 9.069 2.085 -14.641 -0.20 0.02 C ATOM 259 CD LYS A 177 8.849 3.487 -15.190 -0.20 0.02 C ATOM 260 CE LYS A 177 7.424 3.673 -15.686 0.30 5.02 C ATOM 261 NZ LYS A 177 6.923 5.052 -15.432 -0.81 0.02 N ATOM 0 H LYS A 177 8.154 -0.094 -11.625 -0.36 0.02 H new ATOM 0 HA LYS A 177 10.358 1.649 -12.536 1.00 0.02 H new ATOM 0 HB2 LYS A 177 7.636 1.099 -13.394 -0.20 0.02 H new ATOM 0 HB3 LYS A 177 7.837 2.805 -13.046 -0.20 0.02 H new ATOM 0 HG2 LYS A 177 10.138 1.901 -14.529 -0.20 0.02 H new ATOM 0 HG3 LYS A 177 8.693 1.351 -15.354 -0.20 0.02 H new ATOM 0 HD2 LYS A 177 9.064 4.221 -14.413 -0.20 0.02 H new ATOM 0 HD3 LYS A 177 9.547 3.673 -16.006 -0.20 0.02 H new ATOM 0 HE2 LYS A 177 7.381 3.462 -16.755 0.30 5.02 H new ATOM 0 HE3 LYS A 177 6.771 2.953 -15.193 0.30 5.02 H new ATOM 0 HZ1 LYS A 177 5.948 5.138 -15.785 -0.81 0.02 H new ATOM 0 HZ2 LYS A 177 6.940 5.245 -14.410 -0.81 0.02 H new ATOM 0 HZ3 LYS A 177 7.531 5.738 -15.923 -0.81 0.02 H new ATOM 275 N ASN A 178 10.229 2.861 -10.336 -0.36 0.02 N ATOM 276 CA ASN A 178 10.162 3.731 -9.173 1.00 0.01 C ATOM 277 C ASN A 178 10.296 5.202 -9.531 0.48 0.02 C ATOM 278 O ASN A 178 10.693 5.563 -10.639 -0.48 0.02 O ATOM 279 CB ASN A 178 11.242 3.351 -8.173 -0.20 0.01 C ATOM 280 CG ASN A 178 10.903 3.778 -6.758 0.48 0.01 C ATOM 281 OD1 ASN A 178 11.148 4.920 -6.367 -0.48 0.01 O ATOM 282 ND2 ASN A 178 10.337 2.861 -5.982 -0.52 0.01 N ATOM 0 H ASN A 178 11.172 2.570 -10.593 -0.36 0.02 H new ATOM 0 HA ASN A 178 9.175 3.591 -8.732 1.00 0.01 H new ATOM 0 HB2 ASN A 178 11.391 2.271 -8.197 -0.20 0.01 H new ATOM 0 HB3 ASN A 178 12.185 3.809 -8.471 -0.20 0.01 H new ATOM 0 HD21 ASN A 178 10.087 3.091 -5.020 -0.52 0.01 H new ATOM 0 HD22 ASN A 178 10.152 1.927 -6.348 -0.52 0.01 H new ATOM 289 N ILE A 179 9.960 6.039 -8.560 -0.36 0.01 N ATOM 290 CA ILE A 179 10.031 7.480 -8.709 1.00 0.01 C ATOM 291 C ILE A 179 10.454 8.111 -7.381 0.48 0.01 C ATOM 292 O ILE A 179 10.575 7.406 -6.375 -0.48 0.01 O ATOM 293 CB ILE A 179 8.674 8.048 -9.177 -0.10 0.01 C ATOM 294 CG1 ILE A 179 7.537 7.523 -8.299 -0.20 0.02 C ATOM 295 CG2 ILE A 179 8.433 7.678 -10.633 -0.30 0.02 C ATOM 296 CD1 ILE A 179 6.162 7.910 -8.801 -0.30 5.62 C ATOM 0 H ILE A 179 9.630 5.734 -7.645 -0.36 0.01 H new ATOM 0 HA ILE A 179 10.773 7.723 -9.469 1.00 0.01 H new ATOM 0 HB ILE A 179 8.700 9.134 -9.086 -0.10 0.01 H new ATOM 0 HG12 ILE A 179 7.603 6.436 -8.243 -0.20 0.02 H new ATOM 0 HG13 ILE A 179 7.666 7.902 -7.285 -0.20 0.02 H new ATOM 0 HG21 ILE A 179 7.474 8.082 -10.957 -0.30 0.02 H new ATOM 0 HG22 ILE A 179 9.229 8.094 -11.251 -0.30 0.02 H new ATOM 0 HG23 ILE A 179 8.423 6.593 -10.736 -0.30 0.02 H new ATOM 0 HD11 ILE A 179 5.403 7.505 -8.132 -0.30 5.62 H new ATOM 0 HD12 ILE A 179 6.078 8.996 -8.830 -0.30 5.62 H new ATOM 0 HD13 ILE A 179 6.014 7.508 -9.803 -0.30 5.62 H new ATOM 308 N PRO A 180 10.711 9.434 -7.351 -0.36 0.01 N ATOM 309 CA PRO A 180 11.145 10.127 -6.134 1.00 0.01 C ATOM 310 C PRO A 180 10.427 9.663 -4.869 0.48 0.01 C ATOM 311 O PRO A 180 10.988 9.727 -3.775 -0.48 0.02 O ATOM 312 CB PRO A 180 10.815 11.582 -6.445 -0.20 0.01 C ATOM 313 CG PRO A 180 11.030 11.694 -7.914 -0.20 0.02 C ATOM 314 CD PRO A 180 10.628 10.363 -8.500 0.06 0.01 C ATOM 0 HA PRO A 180 12.196 9.937 -5.914 1.00 0.01 H new ATOM 0 HB2 PRO A 180 9.788 11.826 -6.172 -0.20 0.01 H new ATOM 0 HB3 PRO A 180 11.462 12.265 -5.894 -0.20 0.01 H new ATOM 0 HG2 PRO A 180 10.431 12.502 -8.335 -0.20 0.02 H new ATOM 0 HG3 PRO A 180 12.072 11.920 -8.139 -0.20 0.02 H new ATOM 0 HD2 PRO A 180 9.621 10.396 -8.916 0.06 0.01 H new ATOM 0 HD3 PRO A 180 11.296 10.063 -9.307 0.06 0.01 H new ATOM 322 N GLY A 181 9.193 9.198 -5.015 -0.36 0.02 N ATOM 323 CA GLY A 181 8.446 8.739 -3.855 -0.10 0.02 C ATOM 324 C GLY A 181 7.286 7.822 -4.201 0.48 0.02 C ATOM 325 O GLY A 181 6.182 7.992 -3.684 -0.48 0.02 O ATOM 0 H GLY A 181 8.698 9.130 -5.904 -0.36 0.02 H new ATOM 0 HA2 GLY A 181 9.124 8.215 -3.181 -0.10 0.02 H new ATOM 0 HA3 GLY A 181 8.065 9.605 -3.313 -0.10 0.02 H new ATOM 329 N ASP A 182 7.534 6.841 -5.062 -0.36 0.02 N ATOM 330 CA ASP A 182 6.501 5.888 -5.456 1.00 0.02 C ATOM 331 C ASP A 182 7.130 4.742 -6.232 0.48 0.02 C ATOM 332 O ASP A 182 8.353 4.610 -6.253 -0.48 0.02 O ATOM 333 CB ASP A 182 5.418 6.573 -6.291 -0.45 0.02 C ATOM 334 CG ASP A 182 4.040 6.440 -5.672 0.49 0.02 C ATOM 335 OD1 ASP A 182 3.704 7.258 -4.790 -0.62 0.02 O ATOM 336 OD2 ASP A 182 3.297 5.519 -6.071 -0.62 0.02 O ATOM 0 H ASP A 182 8.441 6.684 -5.501 -0.36 0.02 H new ATOM 0 HA ASP A 182 6.029 5.492 -4.557 1.00 0.02 H new ATOM 0 HB2 ASP A 182 5.663 7.629 -6.402 -0.45 0.02 H new ATOM 0 HB3 ASP A 182 5.407 6.141 -7.292 -0.45 0.02 H new ATOM 341 N PHE A 183 6.312 3.909 -6.868 -0.36 0.02 N ATOM 342 CA PHE A 183 6.863 2.792 -7.625 1.00 0.02 C ATOM 343 C PHE A 183 5.825 1.989 -8.403 0.48 0.02 C ATOM 344 O PHE A 183 4.615 2.152 -8.242 -0.48 0.02 O ATOM 345 CB PHE A 183 7.637 1.853 -6.681 -0.16 0.02 C ATOM 346 CG PHE A 183 6.811 0.723 -6.106 0.03 0.02 C ATOM 347 CD1 PHE A 183 5.471 0.908 -5.789 -0.16 0.02 C ATOM 348 CD2 PHE A 183 7.376 -0.527 -5.890 -0.16 0.02 C ATOM 349 CE1 PHE A 183 4.715 -0.128 -5.271 -0.15 0.02 C ATOM 350 CE2 PHE A 183 6.621 -1.565 -5.370 -0.15 0.02 C ATOM 351 CZ PHE A 183 5.291 -1.364 -5.062 -0.15 0.02 C ATOM 0 H PHE A 183 5.295 3.982 -6.876 -0.36 0.02 H new ATOM 0 HA PHE A 183 7.527 3.233 -8.368 1.00 0.02 H new ATOM 0 HB2 PHE A 183 8.482 1.429 -7.223 -0.16 0.02 H new ATOM 0 HB3 PHE A 183 8.047 2.441 -5.860 -0.16 0.02 H new ATOM 0 HD1 PHE A 183 5.014 1.873 -5.949 -0.16 0.02 H new ATOM 0 HD2 PHE A 183 8.416 -0.692 -6.130 -0.16 0.02 H new ATOM 0 HE1 PHE A 183 3.674 0.031 -5.030 -0.15 0.02 H new ATOM 0 HE2 PHE A 183 7.073 -2.532 -5.206 -0.15 0.02 H new ATOM 0 HZ PHE A 183 4.702 -2.174 -4.658 -0.15 0.02 H new ATOM 361 N GLU A 184 6.357 1.087 -9.221 -0.36 0.02 N ATOM 362 CA GLU A 184 5.578 0.170 -10.037 1.00 0.02 C ATOM 363 C GLU A 184 6.313 -1.164 -10.053 0.48 0.02 C ATOM 364 O GLU A 184 7.437 -1.242 -9.557 -0.48 0.02 O ATOM 365 CB GLU A 184 5.406 0.714 -11.456 -0.20 0.02 C ATOM 366 CG GLU A 184 4.627 2.018 -11.513 -0.45 0.02 C ATOM 367 CD GLU A 184 5.203 2.998 -12.517 0.49 0.02 C ATOM 368 OE1 GLU A 184 5.012 2.784 -13.733 -0.62 0.02 O ATOM 369 OE2 GLU A 184 5.844 3.981 -12.088 -0.62 0.02 O ATOM 0 H GLU A 184 7.364 0.973 -9.336 -0.36 0.02 H new ATOM 0 HA GLU A 184 4.578 0.048 -9.621 1.00 0.02 H new ATOM 0 HB2 GLU A 184 6.390 0.867 -11.900 -0.20 0.02 H new ATOM 0 HB3 GLU A 184 4.895 -0.033 -12.064 -0.20 0.02 H new ATOM 0 HG2 GLU A 184 3.590 1.806 -11.772 -0.45 0.02 H new ATOM 0 HG3 GLU A 184 4.622 2.477 -10.524 -0.45 0.02 H new ATOM 376 N CYS A 185 5.706 -2.216 -10.587 -0.36 0.02 N ATOM 377 CA CYS A 185 6.379 -3.512 -10.592 1.00 0.02 C ATOM 378 C CYS A 185 5.733 -4.519 -11.528 0.48 0.02 C ATOM 379 O CYS A 185 4.601 -4.343 -11.979 -0.48 0.02 O ATOM 380 CB CYS A 185 6.387 -4.082 -9.176 0.20 0.02 C ATOM 381 SG CYS A 185 7.875 -5.044 -8.766 -0.20 0.02 S ATOM 0 H CYS A 185 4.778 -2.204 -11.010 -0.36 0.02 H new ATOM 0 HA CYS A 185 7.393 -3.341 -10.954 1.00 0.02 H new ATOM 0 HB2 CYS A 185 6.292 -3.261 -8.466 0.20 0.02 H new ATOM 0 HB3 CYS A 185 5.511 -4.717 -9.048 0.20 0.02 H new ATOM 386 N GLU A 186 6.468 -5.601 -11.782 -0.36 0.02 N ATOM 387 CA GLU A 186 5.985 -6.681 -12.628 1.00 0.02 C ATOM 388 C GLU A 186 4.936 -7.493 -11.879 0.48 0.02 C ATOM 389 O GLU A 186 4.276 -8.358 -12.456 -0.48 0.02 O ATOM 390 CB GLU A 186 7.140 -7.592 -13.051 -0.20 0.02 C ATOM 391 CG GLU A 186 6.961 -8.195 -14.435 -0.45 0.02 C ATOM 392 CD GLU A 186 7.241 -9.685 -14.464 0.49 0.02 C ATOM 393 OE1 GLU A 186 6.307 -10.469 -14.193 -0.62 0.02 O ATOM 394 OE2 GLU A 186 8.393 -10.068 -14.758 -0.62 0.02 O ATOM 0 H GLU A 186 7.406 -5.749 -11.409 -0.36 0.02 H new ATOM 0 HA GLU A 186 5.538 -6.248 -13.523 1.00 0.02 H new ATOM 0 HB2 GLU A 186 8.069 -7.022 -13.029 -0.20 0.02 H new ATOM 0 HB3 GLU A 186 7.243 -8.397 -12.323 -0.20 0.02 H new ATOM 0 HG2 GLU A 186 5.942 -8.014 -14.777 -0.45 0.02 H new ATOM 0 HG3 GLU A 186 7.626 -7.691 -15.136 -0.45 0.02 H new ATOM 401 N CYS A 187 4.782 -7.202 -10.588 -0.36 0.02 N ATOM 402 CA CYS A 187 3.811 -7.894 -9.762 1.00 0.02 C ATOM 403 C CYS A 187 2.405 -7.527 -10.224 0.48 0.02 C ATOM 404 O CYS A 187 2.077 -6.348 -10.308 -0.48 0.02 O ATOM 405 CB CYS A 187 4.015 -7.519 -8.285 0.20 0.02 C ATOM 406 SG CYS A 187 4.707 -8.862 -7.269 -0.20 0.02 S ATOM 0 H CYS A 187 5.321 -6.489 -10.097 -0.36 0.02 H new ATOM 0 HA CYS A 187 3.945 -8.971 -9.861 1.00 0.02 H new ATOM 0 HB2 CYS A 187 4.678 -6.656 -8.228 0.20 0.02 H new ATOM 0 HB3 CYS A 187 3.058 -7.214 -7.863 0.20 0.02 H new ATOM 411 N PRO A 188 1.556 -8.526 -10.552 -0.36 0.02 N ATOM 412 CA PRO A 188 0.187 -8.281 -11.018 1.00 0.02 C ATOM 413 C PRO A 188 -0.519 -7.244 -10.157 0.48 0.02 C ATOM 414 O PRO A 188 -1.241 -7.591 -9.224 -0.48 0.02 O ATOM 415 CB PRO A 188 -0.500 -9.653 -10.895 -0.20 0.02 C ATOM 416 CG PRO A 188 0.498 -10.557 -10.240 -0.20 0.02 C ATOM 417 CD PRO A 188 1.850 -9.961 -10.506 0.06 0.02 C ATOM 0 HA PRO A 188 0.163 -7.884 -12.033 1.00 0.02 H new ATOM 0 HB2 PRO A 188 -1.411 -9.581 -10.300 -0.20 0.02 H new ATOM 0 HB3 PRO A 188 -0.788 -10.034 -11.875 -0.20 0.02 H new ATOM 0 HG2 PRO A 188 0.310 -10.631 -9.169 -0.20 0.02 H new ATOM 0 HG3 PRO A 188 0.432 -11.567 -10.646 -0.20 0.02 H new ATOM 0 HD2 PRO A 188 2.564 -10.205 -9.719 0.06 0.02 H new ATOM 0 HD3 PRO A 188 2.275 -10.319 -11.444 0.06 0.02 H new ATOM 425 N GLU A 189 -0.242 -5.971 -10.447 -0.36 0.02 N ATOM 426 CA GLU A 189 -0.772 -4.834 -9.693 1.00 0.02 C ATOM 427 C GLU A 189 0.239 -4.449 -8.647 0.48 0.02 C ATOM 428 O GLU A 189 1.262 -5.114 -8.506 -0.48 0.02 O ATOM 429 CB GLU A 189 -2.123 -5.118 -9.027 -0.20 0.02 C ATOM 430 CG GLU A 189 -3.082 -5.895 -9.899 -0.45 0.02 C ATOM 431 CD GLU A 189 -4.387 -5.162 -10.145 0.49 0.02 C ATOM 432 OE1 GLU A 189 -4.454 -4.377 -11.114 -0.62 0.02 O ATOM 433 OE2 GLU A 189 -5.343 -5.372 -9.368 -0.62 0.02 O ATOM 0 H GLU A 189 0.364 -5.698 -11.221 -0.36 0.02 H new ATOM 0 HA GLU A 189 -0.947 -4.022 -10.399 1.00 0.02 H new ATOM 0 HB2 GLU A 189 -1.953 -5.674 -8.105 -0.20 0.02 H new ATOM 0 HB3 GLU A 189 -2.586 -4.172 -8.748 -0.20 0.02 H new ATOM 0 HG2 GLU A 189 -2.605 -6.106 -10.856 -0.45 0.02 H new ATOM 0 HG3 GLU A 189 -3.294 -6.856 -9.430 -0.45 0.02 H new ATOM 440 N GLY A 190 -0.010 -3.364 -7.938 -0.36 0.02 N ATOM 441 CA GLY A 190 0.927 -2.907 -6.933 -0.10 0.02 C ATOM 442 C GLY A 190 1.478 -3.994 -6.016 0.48 0.02 C ATOM 443 O GLY A 190 2.208 -3.675 -5.085 -0.48 0.02 O ATOM 0 H GLY A 190 -0.846 -2.788 -8.039 -0.36 0.02 H new ATOM 0 HA2 GLY A 190 1.763 -2.419 -7.434 -0.10 0.02 H new ATOM 0 HA3 GLY A 190 0.437 -2.151 -6.320 -0.10 0.02 H new ATOM 447 N TYR A 191 1.205 -5.278 -6.282 -0.36 0.02 N ATOM 448 CA TYR A 191 1.763 -6.328 -5.446 1.00 0.02 C ATOM 449 C TYR A 191 3.259 -6.111 -5.324 0.48 0.02 C ATOM 450 O TYR A 191 3.936 -5.766 -6.291 -0.48 0.02 O ATOM 451 CB TYR A 191 1.486 -7.717 -6.030 -0.20 0.02 C ATOM 452 CG TYR A 191 0.077 -8.222 -5.823 1.00 0.02 C ATOM 453 CD1 TYR A 191 -0.983 -7.675 -6.529 -0.14 0.02 C ATOM 454 CD2 TYR A 191 -0.189 -9.259 -4.939 -0.14 0.02 C ATOM 455 CE1 TYR A 191 -2.272 -8.142 -6.360 -0.14 0.02 C ATOM 456 CE2 TYR A 191 -1.474 -9.736 -4.765 -0.14 0.02 C ATOM 457 CZ TYR A 191 -2.512 -9.174 -5.478 0.20 0.02 C ATOM 458 OH TYR A 191 -3.793 -9.646 -5.309 -0.60 0.02 O ATOM 0 H TYR A 191 0.616 -5.601 -7.050 -0.36 0.02 H new ATOM 0 HA TYR A 191 1.291 -6.282 -4.465 1.00 0.02 H new ATOM 0 HB2 TYR A 191 1.695 -7.694 -7.099 -0.20 0.02 H new ATOM 0 HB3 TYR A 191 2.181 -8.428 -5.584 -0.20 0.02 H new ATOM 0 HD1 TYR A 191 -0.798 -6.869 -7.224 -0.14 0.02 H new ATOM 0 HD2 TYR A 191 0.622 -9.700 -4.378 -0.14 0.02 H new ATOM 0 HE1 TYR A 191 -3.087 -7.701 -6.915 -0.14 0.02 H new ATOM 0 HE2 TYR A 191 -1.664 -10.544 -4.075 -0.14 0.02 H new ATOM 0 HH TYR A 191 -3.774 -10.453 -4.753 -0.60 0.02 H new ATOM 468 N ARG A 192 3.752 -6.271 -4.124 -0.36 0.02 N ATOM 469 CA ARG A 192 5.168 -6.054 -3.838 1.00 0.02 C ATOM 470 C ARG A 192 5.968 -7.339 -4.017 0.48 0.02 C ATOM 471 O ARG A 192 5.624 -8.384 -3.475 -0.48 0.02 O ATOM 472 CB ARG A 192 5.343 -5.534 -2.409 -0.20 0.02 C ATOM 473 CG ARG A 192 5.324 -4.018 -2.302 -0.20 0.02 C ATOM 474 CD ARG A 192 5.313 -3.560 -0.851 -0.10 0.02 C ATOM 475 NE ARG A 192 6.535 -2.844 -0.494 -0.60 0.02 N ATOM 476 CZ ARG A 192 6.898 -2.576 0.759 0.60 0.02 C ATOM 477 NH1 ARG A 192 6.136 -2.961 1.775 -0.60 0.02 N ATOM 478 NH2 ARG A 192 8.026 -1.921 0.996 -0.60 0.02 N ATOM 0 H ARG A 192 3.198 -6.553 -3.315 -0.36 0.02 H new ATOM 0 HA ARG A 192 5.543 -5.313 -4.543 1.00 0.02 H new ATOM 0 HB2 ARG A 192 4.550 -5.943 -1.784 -0.20 0.02 H new ATOM 0 HB3 ARG A 192 6.287 -5.905 -2.010 -0.20 0.02 H new ATOM 0 HG2 ARG A 192 6.197 -3.606 -2.808 -0.20 0.02 H new ATOM 0 HG3 ARG A 192 4.445 -3.627 -2.814 -0.20 0.02 H new ATOM 0 HD2 ARG A 192 4.452 -2.914 -0.681 -0.10 0.02 H new ATOM 0 HD3 ARG A 192 5.196 -4.425 -0.199 -0.10 0.02 H new ATOM 0 HE ARG A 192 7.146 -2.531 -1.248 -0.60 0.02 H new ATOM 0 HH11 ARG A 192 5.267 -3.465 1.598 -0.60 0.02 H new ATOM 0 HH12 ARG A 192 6.419 -2.753 2.733 -0.60 0.02 H new ATOM 0 HH21 ARG A 192 8.615 -1.623 0.219 -0.60 0.02 H new ATOM 0 HH22 ARG A 192 8.304 -1.715 1.955 -0.60 0.02 H new ATOM 492 N TYR A 193 7.033 -7.246 -4.801 -0.36 0.02 N ATOM 493 CA TYR A 193 7.888 -8.382 -5.091 1.00 0.02 C ATOM 494 C TYR A 193 9.029 -8.507 -4.087 0.48 0.02 C ATOM 495 O TYR A 193 9.406 -7.537 -3.430 -0.48 0.02 O ATOM 496 CB TYR A 193 8.454 -8.224 -6.496 -0.20 0.02 C ATOM 497 CG TYR A 193 9.123 -9.462 -7.022 1.00 0.02 C ATOM 498 CD1 TYR A 193 8.382 -10.458 -7.631 -0.14 0.02 C ATOM 499 CD2 TYR A 193 10.494 -9.625 -6.919 -0.14 0.02 C ATOM 500 CE1 TYR A 193 8.989 -11.594 -8.126 -0.14 0.02 C ATOM 501 CE2 TYR A 193 11.115 -10.752 -7.413 -0.14 0.02 C ATOM 502 CZ TYR A 193 10.358 -11.737 -8.017 0.20 0.02 C ATOM 503 OH TYR A 193 10.972 -12.860 -8.520 -0.60 0.02 O ATOM 0 H TYR A 193 7.326 -6.380 -5.253 -0.36 0.02 H new ATOM 0 HA TYR A 193 7.289 -9.290 -5.018 1.00 0.02 H new ATOM 0 HB2 TYR A 193 7.648 -7.942 -7.173 -0.20 0.02 H new ATOM 0 HB3 TYR A 193 9.173 -7.405 -6.498 -0.20 0.02 H new ATOM 0 HD1 TYR A 193 7.312 -10.345 -7.721 -0.14 0.02 H new ATOM 0 HD2 TYR A 193 11.086 -8.857 -6.444 -0.14 0.02 H new ATOM 0 HE1 TYR A 193 8.397 -12.366 -8.595 -0.14 0.02 H new ATOM 0 HE2 TYR A 193 12.186 -10.864 -7.328 -0.14 0.02 H new ATOM 0 HH TYR A 193 11.622 -12.598 -9.206 -0.60 0.02 H new ATOM 513 N ASN A 194 9.571 -9.716 -3.976 -0.36 0.02 N ATOM 514 CA ASN A 194 10.668 -9.986 -3.055 1.00 0.02 C ATOM 515 C ASN A 194 11.790 -10.756 -3.747 0.48 0.02 C ATOM 516 O ASN A 194 11.551 -11.796 -4.365 -0.48 0.02 O ATOM 517 CB ASN A 194 10.159 -10.785 -1.857 -0.20 0.02 C ATOM 518 CG ASN A 194 10.049 -9.944 -0.601 0.48 0.02 C ATOM 519 OD1 ASN A 194 11.114 -9.925 0.193 -0.48 0.02 O flip ATOM 520 ND2 ASN A 194 9.020 -9.317 -0.347 -0.52 0.02 N flip ATOM 0 H ASN A 194 9.266 -10.527 -4.515 -0.36 0.02 H new ATOM 0 HA ASN A 194 11.066 -9.030 -2.714 1.00 0.02 H new ATOM 0 HB2 ASN A 194 9.182 -11.207 -2.094 -0.20 0.02 H new ATOM 0 HB3 ASN A 194 10.831 -11.623 -1.671 -0.20 0.02 H new ATOM 0 HD21 ASN A 194 8.226 -9.360 -0.985 -0.52 0.02 H new ATOM 0 HD22 ASN A 194 8.962 -8.754 0.502 -0.52 0.02 H new ATOM 527 N LEU A 195 13.015 -10.245 -3.631 -0.36 0.02 N ATOM 528 CA LEU A 195 14.174 -10.892 -4.236 1.00 0.02 C ATOM 529 C LEU A 195 14.651 -12.067 -3.384 0.48 0.02 C ATOM 530 O LEU A 195 15.467 -12.876 -3.825 -0.48 0.02 O ATOM 531 CB LEU A 195 15.311 -9.885 -4.418 -0.20 0.02 C ATOM 532 CG LEU A 195 16.140 -10.068 -5.690 -0.10 0.02 C ATOM 533 CD1 LEU A 195 16.674 -8.729 -6.175 -0.30 0.02 C ATOM 534 CD2 LEU A 195 17.282 -11.044 -5.448 -0.30 0.02 C ATOM 0 H LEU A 195 13.228 -9.386 -3.124 -0.36 0.02 H new ATOM 0 HA LEU A 195 13.875 -11.273 -5.213 1.00 0.02 H new ATOM 0 HB2 LEU A 195 14.889 -8.880 -4.419 -0.20 0.02 H new ATOM 0 HB3 LEU A 195 15.976 -9.951 -3.557 -0.20 0.02 H new ATOM 0 HG LEU A 195 15.495 -10.482 -6.465 -0.10 0.02 H new ATOM 0 HD11 LEU A 195 17.262 -8.878 -7.081 -0.30 0.02 H new ATOM 0 HD12 LEU A 195 15.840 -8.061 -6.389 -0.30 0.02 H new ATOM 0 HD13 LEU A 195 17.304 -8.287 -5.403 -0.30 0.02 H new ATOM 0 HD21 LEU A 195 17.861 -11.161 -6.364 -0.30 0.02 H new ATOM 0 HD22 LEU A 195 17.927 -10.660 -4.658 -0.30 0.02 H new ATOM 0 HD23 LEU A 195 16.877 -12.011 -5.148 -0.30 0.02 H new ATOM 546 N LYS A 196 14.142 -12.156 -2.158 -0.36 0.02 N ATOM 547 CA LYS A 196 14.515 -13.230 -1.253 1.00 0.02 C ATOM 548 C LYS A 196 14.178 -14.570 -1.875 0.48 0.02 C ATOM 549 O LYS A 196 15.008 -15.477 -1.927 -0.48 0.02 O ATOM 550 CB LYS A 196 13.777 -13.080 0.075 -0.20 0.02 C ATOM 551 CG LYS A 196 14.540 -12.268 1.100 -0.20 0.02 C ATOM 552 CD LYS A 196 14.134 -10.803 1.067 -0.20 0.02 C ATOM 553 CE LYS A 196 15.173 -9.920 1.739 0.30 5.02 C ATOM 554 NZ LYS A 196 15.410 -8.664 0.975 -0.81 0.02 N ATOM 0 H LYS A 196 13.469 -11.494 -1.771 -0.36 0.02 H new ATOM 0 HA LYS A 196 15.588 -13.178 -1.071 1.00 0.02 H new ATOM 0 HB2 LYS A 196 12.812 -12.608 -0.106 -0.20 0.02 H new ATOM 0 HB3 LYS A 196 13.576 -14.070 0.484 -0.20 0.02 H new ATOM 0 HG2 LYS A 196 14.359 -12.674 2.095 -0.20 0.02 H new ATOM 0 HG3 LYS A 196 15.610 -12.354 0.910 -0.20 0.02 H new ATOM 0 HD2 LYS A 196 13.999 -10.485 0.033 -0.20 0.02 H new ATOM 0 HD3 LYS A 196 13.173 -10.680 1.566 -0.20 0.02 H new ATOM 0 HE2 LYS A 196 14.843 -9.674 2.748 0.30 5.02 H new ATOM 0 HE3 LYS A 196 16.110 -10.469 1.835 0.30 5.02 H new ATOM 0 HZ1 LYS A 196 16.125 -8.089 1.465 -0.81 0.02 H new ATOM 0 HZ2 LYS A 196 15.749 -8.897 0.020 -0.81 0.02 H new ATOM 0 HZ3 LYS A 196 14.522 -8.127 0.905 -0.81 0.02 H new ATOM 568 N SER A 197 12.947 -14.680 -2.350 -0.36 0.02 N ATOM 569 CA SER A 197 12.481 -15.905 -2.977 1.00 0.02 C ATOM 570 C SER A 197 12.093 -15.682 -4.435 0.48 0.02 C ATOM 571 O SER A 197 11.703 -16.621 -5.129 -0.48 0.02 O ATOM 572 CB SER A 197 11.296 -16.484 -2.203 0.08 0.02 C ATOM 573 OG SER A 197 11.736 -17.258 -1.100 -0.68 0.02 O ATOM 0 H SER A 197 12.252 -13.934 -2.313 -0.36 0.02 H new ATOM 0 HA SER A 197 13.306 -16.617 -2.956 1.00 0.02 H new ATOM 0 HB2 SER A 197 10.657 -15.674 -1.851 0.08 0.02 H new ATOM 0 HB3 SER A 197 10.691 -17.102 -2.867 0.08 0.02 H new ATOM 0 HG SER A 197 10.960 -17.615 -0.621 -0.68 0.02 H new ATOM 579 N LYS A 198 12.182 -14.439 -4.895 -0.36 0.02 N ATOM 580 CA LYS A 198 11.823 -14.106 -6.255 1.00 0.02 C ATOM 581 C LYS A 198 10.421 -14.556 -6.562 0.48 0.02 C ATOM 582 O LYS A 198 10.170 -15.382 -7.440 -0.48 0.02 O ATOM 583 CB LYS A 198 12.822 -14.670 -7.236 -0.20 0.02 C ATOM 584 CG LYS A 198 13.860 -13.635 -7.549 -0.20 0.02 C ATOM 585 CD LYS A 198 14.746 -13.394 -6.346 -0.20 0.02 C ATOM 586 CE LYS A 198 15.745 -14.523 -6.147 0.30 5.02 C ATOM 587 NZ LYS A 198 17.113 -14.141 -6.593 -0.81 0.02 N ATOM 0 H LYS A 198 12.502 -13.647 -4.338 -0.36 0.02 H new ATOM 0 HA LYS A 198 11.849 -13.021 -6.359 1.00 0.02 H new ATOM 0 HB2 LYS A 198 13.295 -15.559 -6.818 -0.20 0.02 H new ATOM 0 HB3 LYS A 198 12.315 -14.979 -8.150 -0.20 0.02 H new ATOM 0 HG2 LYS A 198 14.465 -13.962 -8.394 -0.20 0.02 H new ATOM 0 HG3 LYS A 198 13.376 -12.704 -7.845 -0.20 0.02 H new ATOM 0 HD2 LYS A 198 15.281 -12.453 -6.471 -0.20 0.02 H new ATOM 0 HD3 LYS A 198 14.128 -13.293 -5.454 -0.20 0.02 H new ATOM 0 HE2 LYS A 198 15.772 -14.802 -5.094 0.30 5.02 H new ATOM 0 HE3 LYS A 198 15.415 -15.401 -6.701 0.30 5.02 H new ATOM 0 HZ1 LYS A 198 17.545 -14.935 -7.108 -0.81 0.02 H new ATOM 0 HZ2 LYS A 198 17.055 -13.313 -7.219 -0.81 0.02 H new ATOM 0 HZ3 LYS A 198 17.696 -13.908 -5.764 -0.81 0.02 H new ATOM 601 N SER A 199 9.522 -13.975 -5.810 -0.36 0.02 N ATOM 602 CA SER A 199 8.097 -14.253 -5.937 1.00 0.02 C ATOM 603 C SER A 199 7.279 -12.996 -5.664 0.48 0.02 C ATOM 604 O SER A 199 7.757 -12.062 -5.020 -0.48 0.02 O ATOM 605 CB SER A 199 7.683 -15.367 -4.974 0.08 0.02 C ATOM 606 OG SER A 199 8.500 -16.513 -5.139 -0.68 0.02 O ATOM 0 H SER A 199 9.749 -13.292 -5.087 -0.36 0.02 H new ATOM 0 HA SER A 199 7.903 -14.580 -6.958 1.00 0.02 H new ATOM 0 HB2 SER A 199 7.755 -15.010 -3.947 0.08 0.02 H new ATOM 0 HB3 SER A 199 6.640 -15.632 -5.146 0.08 0.02 H new ATOM 0 HG SER A 199 8.216 -17.210 -4.511 -0.68 0.02 H new ATOM 612 N CYS A 200 6.043 -12.977 -6.153 -0.36 0.02 N ATOM 613 CA CYS A 200 5.164 -11.831 -5.953 1.00 0.02 C ATOM 614 C CYS A 200 4.546 -11.873 -4.560 0.48 0.02 C ATOM 615 O CYS A 200 4.190 -12.943 -4.066 -0.48 0.02 O ATOM 616 CB CYS A 200 4.064 -11.815 -7.015 0.20 0.02 C ATOM 617 SG CYS A 200 3.201 -10.219 -7.165 -0.20 0.02 S ATOM 0 H CYS A 200 5.629 -13.740 -6.689 -0.36 0.02 H new ATOM 0 HA CYS A 200 5.756 -10.920 -6.046 1.00 0.02 H new ATOM 0 HB2 CYS A 200 4.501 -12.072 -7.980 0.20 0.02 H new ATOM 0 HB3 CYS A 200 3.335 -12.590 -6.779 0.20 0.02 H new ATOM 622 N GLU A 201 4.438 -10.713 -3.914 -0.36 0.02 N ATOM 623 CA GLU A 201 3.882 -10.659 -2.565 1.00 0.02 C ATOM 624 C GLU A 201 3.064 -9.390 -2.302 0.48 0.02 C ATOM 625 O GLU A 201 3.602 -8.285 -2.264 -0.48 0.02 O ATOM 626 CB GLU A 201 5.008 -10.767 -1.534 -0.20 0.02 C ATOM 627 CG GLU A 201 5.132 -12.148 -0.911 -0.45 0.02 C ATOM 628 CD GLU A 201 5.223 -12.101 0.602 0.49 0.02 C ATOM 629 OE1 GLU A 201 6.146 -11.440 1.121 -0.62 0.02 O ATOM 630 OE2 GLU A 201 4.369 -12.724 1.267 -0.62 0.02 O ATOM 0 H GLU A 201 4.723 -9.811 -4.296 -0.36 0.02 H new ATOM 0 HA GLU A 201 3.199 -11.503 -2.473 1.00 0.02 H new ATOM 0 HB2 GLU A 201 5.953 -10.507 -2.011 -0.20 0.02 H new ATOM 0 HB3 GLU A 201 4.838 -10.035 -0.744 -0.20 0.02 H new ATOM 0 HG2 GLU A 201 4.272 -12.751 -1.201 -0.45 0.02 H new ATOM 0 HG3 GLU A 201 6.017 -12.644 -1.309 -0.45 0.02 H new ATOM 637 N ASP A 202 1.759 -9.594 -2.105 -0.36 0.02 N ATOM 638 CA ASP A 202 0.796 -8.531 -1.811 1.00 0.02 C ATOM 639 C ASP A 202 1.470 -7.269 -1.285 0.48 0.02 C ATOM 640 O ASP A 202 2.427 -7.323 -0.513 -0.48 0.02 O ATOM 641 CB ASP A 202 -0.228 -9.031 -0.790 -0.45 0.02 C ATOM 642 CG ASP A 202 -1.267 -7.982 -0.448 0.49 0.02 C ATOM 643 OD1 ASP A 202 -1.885 -7.434 -1.385 -0.62 0.02 O ATOM 644 OD2 ASP A 202 -1.462 -7.709 0.755 -0.62 0.02 O ATOM 0 H ASP A 202 1.335 -10.521 -2.146 -0.36 0.02 H new ATOM 0 HA ASP A 202 0.300 -8.272 -2.746 1.00 0.02 H new ATOM 0 HB2 ASP A 202 -0.727 -9.916 -1.184 -0.45 0.02 H new ATOM 0 HB3 ASP A 202 0.290 -9.335 0.120 -0.45 0.02 H new ATOM 649 N ILE A 203 0.962 -6.139 -1.737 -0.36 0.02 N ATOM 650 CA ILE A 203 1.495 -4.842 -1.368 1.00 0.02 C ATOM 651 C ILE A 203 0.942 -4.324 -0.038 0.48 0.02 C ATOM 652 O ILE A 203 -0.065 -4.824 0.479 -0.48 0.02 O ATOM 653 CB ILE A 203 1.200 -3.840 -2.489 -0.10 0.02 C ATOM 654 CG1 ILE A 203 1.896 -2.507 -2.255 -0.20 0.02 C ATOM 655 CG2 ILE A 203 -0.291 -3.642 -2.646 -0.30 0.02 C ATOM 656 CD1 ILE A 203 1.937 -1.663 -3.502 -0.30 0.02 C ATOM 0 H ILE A 203 0.165 -6.094 -2.373 -0.36 0.02 H new ATOM 0 HA ILE A 203 2.570 -4.956 -1.231 1.00 0.02 H new ATOM 0 HB ILE A 203 1.598 -4.258 -3.414 -0.10 0.02 H new ATOM 0 HG12 ILE A 203 1.378 -1.962 -1.466 -0.20 0.02 H new ATOM 0 HG13 ILE A 203 2.913 -2.686 -1.905 -0.20 0.02 H new ATOM 0 HG21 ILE A 203 -0.481 -2.927 -3.447 -0.30 0.02 H new ATOM 0 HG22 ILE A 203 -0.761 -4.595 -2.891 -0.30 0.02 H new ATOM 0 HG23 ILE A 203 -0.708 -3.261 -1.713 -0.30 0.02 H new ATOM 0 HD11 ILE A 203 2.443 -0.721 -3.288 -0.30 0.02 H new ATOM 0 HD12 ILE A 203 2.478 -2.196 -4.284 -0.30 0.02 H new ATOM 0 HD13 ILE A 203 0.920 -1.460 -3.838 -0.30 0.02 H new ATOM 668 N ASP A 204 1.613 -3.293 0.477 -0.36 0.02 N ATOM 669 CA ASP A 204 1.230 -2.641 1.726 1.00 0.02 C ATOM 670 C ASP A 204 0.520 -1.319 1.433 0.48 0.02 C ATOM 671 O ASP A 204 0.967 -0.247 1.841 -0.48 0.02 O ATOM 672 CB ASP A 204 2.465 -2.404 2.598 -0.45 0.02 C ATOM 673 CG ASP A 204 2.554 -3.384 3.751 0.49 0.02 C ATOM 674 OD1 ASP A 204 2.142 -4.550 3.572 -0.62 0.02 O ATOM 675 OD2 ASP A 204 3.034 -2.987 4.832 -0.62 0.02 O ATOM 0 H ASP A 204 2.439 -2.887 0.037 -0.36 0.02 H new ATOM 0 HA ASP A 204 0.543 -3.291 2.268 1.00 0.02 H new ATOM 0 HB2 ASP A 204 3.362 -2.487 1.984 -0.45 0.02 H new ATOM 0 HB3 ASP A 204 2.440 -1.387 2.990 -0.45 0.02 H new ATOM 680 N GLU A 205 -0.580 -1.418 0.698 -0.36 0.02 N ATOM 681 CA GLU A 205 -1.373 -0.263 0.298 1.00 0.02 C ATOM 682 C GLU A 205 -1.773 0.634 1.470 0.48 0.02 C ATOM 683 O GLU A 205 -1.913 1.843 1.303 -0.48 0.02 O ATOM 684 CB GLU A 205 -2.625 -0.732 -0.429 -0.20 0.02 C ATOM 685 CG GLU A 205 -2.334 -1.352 -1.783 -0.45 0.02 C ATOM 686 CD GLU A 205 -3.082 -2.650 -2.008 0.49 0.02 C ATOM 687 OE1 GLU A 205 -2.868 -3.609 -1.232 -0.62 0.02 O ATOM 688 OE2 GLU A 205 -3.885 -2.707 -2.960 -0.62 0.02 O ATOM 0 H GLU A 205 -0.949 -2.307 0.361 -0.36 0.02 H new ATOM 0 HA GLU A 205 -0.743 0.337 -0.359 1.00 0.02 H new ATOM 0 HB2 GLU A 205 -3.147 -1.460 0.192 -0.20 0.02 H new ATOM 0 HB3 GLU A 205 -3.299 0.115 -0.562 -0.20 0.02 H new ATOM 0 HG2 GLU A 205 -2.601 -0.643 -2.567 -0.45 0.02 H new ATOM 0 HG3 GLU A 205 -1.263 -1.535 -1.871 -0.45 0.02 H new ATOM 695 N CYS A 206 -1.973 0.053 2.647 -0.36 0.02 N ATOM 696 CA CYS A 206 -2.378 0.846 3.808 1.00 0.02 C ATOM 697 C CYS A 206 -1.185 1.250 4.666 0.48 0.02 C ATOM 698 O CYS A 206 -1.210 2.289 5.326 -0.48 0.02 O ATOM 699 CB CYS A 206 -3.418 0.096 4.646 0.20 0.02 C ATOM 700 SG CYS A 206 -2.744 -1.160 5.782 -0.20 0.02 S ATOM 0 H CYS A 206 -1.865 -0.946 2.825 -0.36 0.02 H new ATOM 0 HA CYS A 206 -2.833 1.762 3.430 1.00 0.02 H new ATOM 0 HB2 CYS A 206 -3.984 0.823 5.229 0.20 0.02 H new ATOM 0 HB3 CYS A 206 -4.123 -0.389 3.971 0.20 0.02 H new ATOM 705 N SER A 207 -0.143 0.433 4.654 -0.36 0.02 N ATOM 706 CA SER A 207 1.052 0.727 5.434 1.00 0.02 C ATOM 707 C SER A 207 1.652 2.063 5.002 0.48 0.02 C ATOM 708 O SER A 207 2.424 2.677 5.738 -0.48 0.02 O ATOM 709 CB SER A 207 2.083 -0.398 5.281 0.08 0.02 C ATOM 710 OG SER A 207 3.204 0.021 4.518 -0.68 0.02 O ATOM 0 H SER A 207 -0.099 -0.433 4.117 -0.36 0.02 H new ATOM 0 HA SER A 207 0.771 0.796 6.485 1.00 0.02 H new ATOM 0 HB2 SER A 207 2.415 -0.725 6.267 0.08 0.02 H new ATOM 0 HB3 SER A 207 1.616 -1.258 4.800 0.08 0.02 H new ATOM 0 HG SER A 207 3.820 -0.732 4.400 -0.68 0.02 H new ATOM 716 N GLU A 208 1.321 2.480 3.784 -0.36 0.02 N ATOM 717 CA GLU A 208 1.852 3.710 3.218 1.00 0.02 C ATOM 718 C GLU A 208 1.148 4.948 3.766 0.48 0.02 C ATOM 719 O GLU A 208 1.781 5.782 4.413 -0.48 0.02 O ATOM 720 CB GLU A 208 1.697 3.663 1.699 -0.20 0.02 C ATOM 721 CG GLU A 208 2.798 2.889 0.993 -0.45 0.02 C ATOM 722 CD GLU A 208 3.697 3.779 0.156 0.49 0.02 C ATOM 723 OE1 GLU A 208 4.131 4.833 0.667 -0.62 0.02 O ATOM 724 OE2 GLU A 208 3.966 3.421 -1.010 -0.62 0.02 O ATOM 0 H GLU A 208 0.682 1.978 3.168 -0.36 0.02 H new ATOM 0 HA GLU A 208 2.903 3.784 3.497 1.00 0.02 H new ATOM 0 HB2 GLU A 208 0.735 3.212 1.455 -0.20 0.02 H new ATOM 0 HB3 GLU A 208 1.678 4.682 1.313 -0.20 0.02 H new ATOM 0 HG2 GLU A 208 3.401 2.366 1.735 -0.45 0.02 H new ATOM 0 HG3 GLU A 208 2.349 2.129 0.353 -0.45 0.02 H new ATOM 731 N ASN A 209 -0.157 5.067 3.513 -0.36 0.02 N ATOM 732 CA ASN A 209 -0.939 6.213 3.989 1.00 0.02 C ATOM 733 C ASN A 209 -2.232 6.351 3.184 0.48 0.02 C ATOM 734 O ASN A 209 -2.440 7.347 2.490 -0.48 0.02 O ATOM 735 CB ASN A 209 -0.129 7.514 3.893 -0.20 0.02 C ATOM 736 CG ASN A 209 0.385 7.979 5.242 0.48 0.02 C ATOM 737 OD1 ASN A 209 0.636 7.170 6.136 -0.48 0.02 O ATOM 738 ND2 ASN A 209 0.543 9.289 5.396 -0.52 0.02 N ATOM 0 H ASN A 209 -0.696 4.384 2.981 -0.36 0.02 H new ATOM 0 HA ASN A 209 -1.186 6.034 5.036 1.00 0.02 H new ATOM 0 HB2 ASN A 209 0.714 7.364 3.218 -0.20 0.02 H new ATOM 0 HB3 ASN A 209 -0.752 8.295 3.456 -0.20 0.02 H new ATOM 0 HD21 ASN A 209 0.885 9.661 6.282 -0.52 0.02 H new ATOM 0 HD22 ASN A 209 0.323 9.923 4.628 -0.52 0.02 H new ATOM 745 N MET A 210 -3.096 5.346 3.276 -0.36 0.02 N ATOM 746 CA MET A 210 -4.365 5.368 2.546 1.00 0.02 C ATOM 747 C MET A 210 -5.533 5.028 3.436 0.48 0.02 C ATOM 748 O MET A 210 -6.643 5.516 3.218 -0.48 0.02 O ATOM 749 CB MET A 210 -4.326 4.410 1.353 -0.20 0.02 C ATOM 750 CG MET A 210 -3.005 4.416 0.602 -0.11 5.02 C ATOM 751 SD MET A 210 -3.036 5.476 -0.855 -0.17 0.02 S ATOM 752 CE MET A 210 -2.371 4.361 -2.089 -0.21 5.02 C ATOM 0 H MET A 210 -2.946 4.511 3.843 -0.36 0.02 H new ATOM 0 HA MET A 210 -4.503 6.386 2.182 1.00 0.02 H new ATOM 0 HB2 MET A 210 -4.528 3.398 1.705 -0.20 0.02 H new ATOM 0 HB3 MET A 210 -5.127 4.673 0.662 -0.20 0.02 H new ATOM 0 HG2 MET A 210 -2.213 4.750 1.272 -0.11 5.02 H new ATOM 0 HG3 MET A 210 -2.759 3.398 0.300 -0.11 5.02 H new ATOM 0 HE1 MET A 210 -2.325 4.869 -3.052 -0.21 5.02 H new ATOM 0 HE2 MET A 210 -1.369 4.049 -1.795 -0.21 5.02 H new ATOM 0 HE3 MET A 210 -3.014 3.485 -2.172 -0.21 5.02 H new ATOM 762 N CYS A 211 -5.308 4.187 4.422 -0.36 0.02 N ATOM 763 CA CYS A 211 -6.393 3.805 5.300 1.00 0.02 C ATOM 764 C CYS A 211 -6.334 4.520 6.632 0.48 0.02 C ATOM 765 O CYS A 211 -5.291 4.585 7.283 -0.48 0.02 O ATOM 766 CB CYS A 211 -6.417 2.296 5.509 0.20 0.02 C ATOM 767 SG CYS A 211 -6.849 1.336 4.023 -0.20 0.02 S ATOM 0 H CYS A 211 -4.405 3.763 4.634 -0.36 0.02 H new ATOM 0 HA CYS A 211 -7.317 4.109 4.809 1.00 0.02 H new ATOM 0 HB2 CYS A 211 -5.437 1.975 5.862 0.20 0.02 H new ATOM 0 HB3 CYS A 211 -7.132 2.062 6.298 0.20 0.02 H new ATOM 772 N ALA A 212 -7.472 5.087 7.006 -0.36 0.02 N ATOM 773 CA ALA A 212 -7.572 5.840 8.234 1.00 0.02 C ATOM 774 C ALA A 212 -7.861 4.957 9.459 0.48 0.02 C ATOM 775 O ALA A 212 -6.942 4.550 10.171 -0.48 0.02 O ATOM 776 CB ALA A 212 -8.621 6.937 8.091 -0.30 0.02 C ATOM 0 H ALA A 212 -8.338 5.036 6.470 -0.36 0.02 H new ATOM 0 HA ALA A 212 -6.597 6.294 8.412 1.00 0.02 H new ATOM 0 HB1 ALA A 212 -8.689 7.499 9.022 -0.30 0.02 H new ATOM 0 HB2 ALA A 212 -8.337 7.609 7.281 -0.30 0.02 H new ATOM 0 HB3 ALA A 212 -9.589 6.488 7.867 -0.30 0.02 H new ATOM 782 N GLN A 213 -9.142 4.694 9.712 -0.36 0.02 N ATOM 783 CA GLN A 213 -9.568 3.894 10.865 1.00 0.02 C ATOM 784 C GLN A 213 -8.846 2.549 10.959 0.48 0.02 C ATOM 785 O GLN A 213 -7.931 2.380 11.765 -0.48 0.02 O ATOM 786 CB GLN A 213 -11.074 3.666 10.814 -0.20 0.02 C ATOM 787 CG GLN A 213 -11.876 4.809 11.409 -0.20 0.02 C ATOM 788 CD GLN A 213 -11.485 5.099 12.846 0.48 0.02 C ATOM 789 OE1 GLN A 213 -11.806 4.335 13.756 -0.48 0.02 O ATOM 790 NE2 GLN A 213 -10.788 6.210 13.055 -0.52 0.02 N ATOM 0 H GLN A 213 -9.911 5.026 9.130 -0.36 0.02 H new ATOM 0 HA GLN A 213 -9.303 4.462 11.756 1.00 0.02 H new ATOM 0 HB2 GLN A 213 -11.377 3.520 9.777 -0.20 0.02 H new ATOM 0 HB3 GLN A 213 -11.313 2.747 11.349 -0.20 0.02 H new ATOM 0 HG2 GLN A 213 -11.729 5.705 10.807 -0.20 0.02 H new ATOM 0 HG3 GLN A 213 -12.938 4.566 11.365 -0.20 0.02 H new ATOM 0 HE21 GLN A 213 -10.544 6.814 12.270 -0.52 0.02 H new ATOM 0 HE22 GLN A 213 -10.497 6.459 14.000 -0.52 0.02 H new ATOM 799 N LEU A 214 -9.270 1.599 10.135 -0.36 0.02 N ATOM 800 CA LEU A 214 -8.681 0.267 10.118 1.00 0.02 C ATOM 801 C LEU A 214 -8.347 -0.141 8.711 0.48 0.02 C ATOM 802 O LEU A 214 -9.151 0.065 7.811 -0.48 0.02 O ATOM 803 CB LEU A 214 -9.657 -0.738 10.689 -0.20 0.02 C ATOM 804 CG LEU A 214 -9.903 -0.595 12.176 -0.10 0.02 C ATOM 805 CD1 LEU A 214 -8.577 -0.628 12.916 -0.30 0.02 C ATOM 806 CD2 LEU A 214 -10.660 0.690 12.456 -0.30 0.02 C ATOM 0 H LEU A 214 -10.027 1.729 9.464 -0.36 0.02 H new ATOM 0 HA LEU A 214 -7.772 0.290 10.719 1.00 0.02 H new ATOM 0 HB2 LEU A 214 -10.608 -0.641 10.165 -0.20 0.02 H new ATOM 0 HB3 LEU A 214 -9.284 -1.743 10.490 -0.20 0.02 H new ATOM 0 HG LEU A 214 -10.513 -1.426 12.529 -0.10 0.02 H new ATOM 0 HD11 LEU A 214 -8.755 -0.525 13.986 -0.30 0.02 H new ATOM 0 HD12 LEU A 214 -8.075 -1.576 12.721 -0.30 0.02 H new ATOM 0 HD13 LEU A 214 -7.948 0.193 12.572 -0.30 0.02 H new ATOM 0 HD21 LEU A 214 -10.832 0.784 13.528 -0.30 0.02 H new ATOM 0 HD22 LEU A 214 -10.075 1.541 12.106 -0.30 0.02 H new ATOM 0 HD23 LEU A 214 -11.617 0.669 11.935 -0.30 0.02 H new ATOM 818 N CYS A 215 -7.151 -0.668 8.483 -0.36 0.02 N ATOM 819 CA CYS A 215 -6.780 -1.015 7.135 1.00 0.02 C ATOM 820 C CYS A 215 -6.617 -2.515 6.870 0.48 0.02 C ATOM 821 O CYS A 215 -5.539 -3.074 7.060 -0.48 0.02 O ATOM 822 CB CYS A 215 -5.494 -0.277 6.770 0.20 0.02 C ATOM 823 SG CYS A 215 -3.948 -1.015 7.415 -0.20 0.02 S ATOM 0 H CYS A 215 -6.446 -0.857 9.196 -0.36 0.02 H new ATOM 0 HA CYS A 215 -7.613 -0.708 6.503 1.00 0.02 H new ATOM 0 HB2 CYS A 215 -5.424 -0.222 5.684 0.20 0.02 H new ATOM 0 HB3 CYS A 215 -5.567 0.747 7.137 0.20 0.02 H new ATOM 828 N VAL A 216 -7.658 -3.154 6.341 -0.36 0.02 N ATOM 829 CA VAL A 216 -7.539 -4.553 5.963 1.00 0.02 C ATOM 830 C VAL A 216 -7.175 -4.588 4.501 0.48 0.02 C ATOM 831 O VAL A 216 -8.038 -4.531 3.626 -0.48 0.02 O ATOM 832 CB VAL A 216 -8.819 -5.383 6.156 -0.10 0.02 C ATOM 833 CG1 VAL A 216 -8.886 -6.542 5.151 -0.30 0.02 C ATOM 834 CG2 VAL A 216 -8.914 -5.918 7.578 -0.30 0.02 C ATOM 0 H VAL A 216 -8.572 -2.734 6.169 -0.36 0.02 H new ATOM 0 HA VAL A 216 -6.788 -4.999 6.616 1.00 0.02 H new ATOM 0 HB VAL A 216 -9.667 -4.722 5.976 -0.10 0.02 H new ATOM 0 HG11 VAL A 216 -9.802 -7.111 5.312 -0.30 0.02 H new ATOM 0 HG12 VAL A 216 -8.879 -6.144 4.136 -0.30 0.02 H new ATOM 0 HG13 VAL A 216 -8.024 -7.195 5.290 -0.30 0.02 H new ATOM 0 HG21 VAL A 216 -9.828 -6.501 7.687 -0.30 0.02 H new ATOM 0 HG22 VAL A 216 -8.052 -6.552 7.787 -0.30 0.02 H new ATOM 0 HG23 VAL A 216 -8.930 -5.084 8.280 -0.30 0.02 H new ATOM 844 N ASN A 217 -5.905 -4.655 4.237 -0.36 0.02 N ATOM 845 CA ASN A 217 -5.449 -4.681 2.878 1.00 0.02 C ATOM 846 C ASN A 217 -5.354 -6.121 2.398 0.48 0.02 C ATOM 847 O ASN A 217 -4.441 -6.841 2.803 -0.48 0.02 O ATOM 848 CB ASN A 217 -4.101 -3.983 2.762 -0.20 0.02 C ATOM 849 CG ASN A 217 -3.513 -4.115 1.382 0.48 0.02 C ATOM 850 OD1 ASN A 217 -4.182 -4.559 0.449 -0.48 0.02 O ATOM 851 ND2 ASN A 217 -2.264 -3.715 1.242 -0.52 0.02 N ATOM 0 H ASN A 217 -5.168 -4.693 4.941 -0.36 0.02 H new ATOM 0 HA ASN A 217 -6.162 -4.149 2.248 1.00 0.02 H new ATOM 0 HB2 ASN A 217 -4.217 -2.927 3.007 -0.20 0.02 H new ATOM 0 HB3 ASN A 217 -3.410 -4.405 3.492 -0.20 0.02 H new ATOM 0 HD21 ASN A 217 -1.811 -3.766 0.329 -0.52 0.02 H new ATOM 0 HD22 ASN A 217 -1.751 -3.354 2.046 -0.52 0.02 H new ATOM 858 N TYR A 218 -6.297 -6.573 1.560 -0.36 0.02 N ATOM 859 CA TYR A 218 -6.248 -7.952 1.111 1.00 0.02 C ATOM 860 C TYR A 218 -5.328 -8.101 -0.078 0.48 0.02 C ATOM 861 O TYR A 218 -4.880 -7.107 -0.663 -0.48 0.02 O ATOM 862 CB TYR A 218 -7.653 -8.506 0.806 -0.20 0.02 C ATOM 863 CG TYR A 218 -8.547 -7.629 -0.045 1.00 0.02 C ATOM 864 CD1 TYR A 218 -8.502 -7.687 -1.435 -0.14 0.02 C ATOM 865 CD2 TYR A 218 -9.471 -6.775 0.544 -0.14 0.02 C ATOM 866 CE1 TYR A 218 -9.351 -6.917 -2.210 -0.14 0.02 C ATOM 867 CE2 TYR A 218 -10.318 -5.998 -0.223 -0.14 0.02 C ATOM 868 CZ TYR A 218 -10.255 -6.074 -1.599 0.20 0.02 C ATOM 869 OH TYR A 218 -11.102 -5.306 -2.366 -0.60 0.02 O ATOM 0 H TYR A 218 -7.073 -6.020 1.196 -0.36 0.02 H new ATOM 0 HA TYR A 218 -5.841 -8.547 1.928 1.00 0.02 H new ATOM 0 HB2 TYR A 218 -7.541 -9.468 0.306 -0.20 0.02 H new ATOM 0 HB3 TYR A 218 -8.159 -8.696 1.752 -0.20 0.02 H new ATOM 0 HD1 TYR A 218 -7.793 -8.344 -1.916 -0.14 0.02 H new ATOM 0 HD2 TYR A 218 -9.528 -6.717 1.621 -0.14 0.02 H new ATOM 0 HE1 TYR A 218 -9.306 -6.976 -3.287 -0.14 0.02 H new ATOM 0 HE2 TYR A 218 -11.026 -5.335 0.252 -0.14 0.02 H new ATOM 0 HH TYR A 218 -11.676 -4.769 -1.781 -0.60 0.02 H new ATOM 879 N PRO A 219 -4.987 -9.347 -0.434 -0.36 0.02 N ATOM 880 CA PRO A 219 -4.089 -9.601 -1.539 1.00 0.02 C ATOM 881 C PRO A 219 -4.524 -8.862 -2.799 0.48 0.02 C ATOM 882 O PRO A 219 -5.450 -9.285 -3.491 -0.48 0.02 O ATOM 883 CB PRO A 219 -4.153 -11.124 -1.746 -0.20 0.02 C ATOM 884 CG PRO A 219 -5.274 -11.601 -0.883 -0.20 0.02 C ATOM 885 CD PRO A 219 -5.401 -10.597 0.223 0.06 0.02 C ATOM 0 HA PRO A 219 -3.079 -9.250 -1.329 1.00 0.02 H new ATOM 0 HB2 PRO A 219 -4.332 -11.370 -2.793 -0.20 0.02 H new ATOM 0 HB3 PRO A 219 -3.213 -11.598 -1.464 -0.20 0.02 H new ATOM 0 HG2 PRO A 219 -6.201 -11.674 -1.452 -0.20 0.02 H new ATOM 0 HG3 PRO A 219 -5.065 -12.594 -0.486 -0.20 0.02 H new ATOM 0 HD2 PRO A 219 -6.421 -10.538 0.602 0.06 0.02 H new ATOM 0 HD3 PRO A 219 -4.760 -10.842 1.070 0.06 0.02 H new ATOM 893 N GLY A 220 -3.845 -7.760 -3.093 -0.36 0.02 N ATOM 894 CA GLY A 220 -4.166 -6.982 -4.270 -0.10 0.02 C ATOM 895 C GLY A 220 -4.935 -5.717 -3.958 0.48 0.02 C ATOM 896 O GLY A 220 -4.412 -4.617 -4.112 -0.48 0.02 O ATOM 0 H GLY A 220 -3.075 -7.392 -2.534 -0.36 0.02 H new ATOM 0 HA2 GLY A 220 -3.243 -6.720 -4.787 -0.10 0.02 H new ATOM 0 HA3 GLY A 220 -4.752 -7.596 -4.955 -0.10 0.02 H new ATOM 900 N GLY A 221 -6.184 -5.867 -3.537 -0.36 0.02 N ATOM 901 CA GLY A 221 -7.005 -4.711 -3.225 -0.10 0.02 C ATOM 902 C GLY A 221 -7.144 -4.444 -1.745 0.48 0.02 C ATOM 903 O GLY A 221 -7.823 -5.181 -1.027 -0.48 0.02 O ATOM 0 H GLY A 221 -6.644 -6.768 -3.406 -0.36 0.02 H new ATOM 0 HA2 GLY A 221 -6.575 -3.832 -3.705 -0.10 0.02 H new ATOM 0 HA3 GLY A 221 -7.997 -4.855 -3.654 -0.10 0.02 H new ATOM 907 N TYR A 222 -6.486 -3.418 -1.252 -0.36 0.02 N ATOM 908 CA TYR A 222 -6.570 -3.128 0.156 1.00 0.02 C ATOM 909 C TYR A 222 -7.972 -2.662 0.548 0.48 0.02 C ATOM 910 O TYR A 222 -8.863 -2.565 -0.296 -0.48 0.02 O ATOM 911 CB TYR A 222 -5.541 -2.082 0.537 -0.20 0.02 C ATOM 912 CG TYR A 222 -5.843 -0.730 -0.034 1.00 0.02 C ATOM 913 CD1 TYR A 222 -5.487 -0.418 -1.333 -0.14 0.02 C ATOM 914 CD2 TYR A 222 -6.480 0.229 0.728 -0.14 0.02 C ATOM 915 CE1 TYR A 222 -5.757 0.827 -1.864 -0.14 0.02 C ATOM 916 CE2 TYR A 222 -6.757 1.480 0.211 -0.14 0.02 C ATOM 917 CZ TYR A 222 -6.392 1.775 -1.087 0.20 0.02 C ATOM 918 OH TYR A 222 -6.662 3.020 -1.609 -0.60 0.02 O ATOM 0 H TYR A 222 -5.899 -2.784 -1.795 -0.36 0.02 H new ATOM 0 HA TYR A 222 -6.361 -4.048 0.701 1.00 0.02 H new ATOM 0 HB2 TYR A 222 -5.490 -2.009 1.623 -0.20 0.02 H new ATOM 0 HB3 TYR A 222 -4.558 -2.405 0.193 -0.20 0.02 H new ATOM 0 HD1 TYR A 222 -4.990 -1.159 -1.941 -0.14 0.02 H new ATOM 0 HD2 TYR A 222 -6.766 -0.002 1.743 -0.14 0.02 H new ATOM 0 HE1 TYR A 222 -5.473 1.058 -2.880 -0.14 0.02 H new ATOM 0 HE2 TYR A 222 -7.255 2.221 0.818 -0.14 0.02 H new ATOM 0 HH TYR A 222 -7.113 3.567 -0.933 -0.60 0.02 H new ATOM 928 N THR A 223 -8.155 -2.363 1.832 -0.36 0.02 N ATOM 929 CA THR A 223 -9.443 -1.894 2.329 1.00 0.02 C ATOM 930 C THR A 223 -9.277 -1.138 3.640 0.48 0.02 C ATOM 931 O THR A 223 -8.372 -1.418 4.424 -0.48 0.02 O ATOM 932 CB THR A 223 -10.407 -3.076 2.493 0.18 0.02 C ATOM 933 OG1 THR A 223 -10.946 -3.449 1.238 -0.68 0.02 O ATOM 934 CG2 THR A 223 -11.568 -2.803 3.423 -0.30 0.02 C ATOM 0 H THR A 223 -7.429 -2.437 2.544 -0.36 0.02 H new ATOM 0 HA THR A 223 -9.866 -1.202 1.601 1.00 0.02 H new ATOM 0 HB THR A 223 -9.805 -3.872 2.931 0.18 0.02 H new ATOM 0 HG1 THR A 223 -10.383 -3.091 0.521 -0.68 0.02 H new ATOM 0 HG21 THR A 223 -12.201 -3.688 3.484 -0.30 0.02 H new ATOM 0 HG22 THR A 223 -11.189 -2.559 4.416 -0.30 0.02 H new ATOM 0 HG23 THR A 223 -12.151 -1.965 3.041 -0.30 0.02 H new ATOM 942 N CYS A 224 -10.162 -0.174 3.865 -0.36 0.02 N ATOM 943 CA CYS A 224 -10.121 0.632 5.074 1.00 0.02 C ATOM 944 C CYS A 224 -11.480 0.632 5.768 0.48 0.02 C ATOM 945 O CYS A 224 -12.410 1.303 5.321 -0.48 0.02 O ATOM 946 CB CYS A 224 -9.707 2.071 4.747 0.20 0.02 C ATOM 947 SG CYS A 224 -8.542 2.226 3.351 -0.20 0.02 S ATOM 0 H CYS A 224 -10.917 0.067 3.223 -0.36 0.02 H new ATOM 0 HA CYS A 224 -9.383 0.194 5.746 1.00 0.02 H new ATOM 0 HB2 CYS A 224 -10.602 2.651 4.522 0.20 0.02 H new ATOM 0 HB3 CYS A 224 -9.253 2.515 5.633 0.20 0.02 H new ATOM 952 N TYR A 225 -11.589 -0.104 6.873 -0.36 0.02 N ATOM 953 CA TYR A 225 -12.839 -0.152 7.618 1.00 0.02 C ATOM 954 C TYR A 225 -12.825 0.868 8.745 0.48 0.02 C ATOM 955 O TYR A 225 -11.804 1.095 9.393 -0.48 0.02 O ATOM 956 CB TYR A 225 -13.166 -1.558 8.134 -0.20 0.02 C ATOM 957 CG TYR A 225 -12.040 -2.285 8.830 1.00 0.02 C ATOM 958 CD1 TYR A 225 -10.910 -2.703 8.138 -0.14 0.02 C ATOM 959 CD2 TYR A 225 -12.131 -2.588 10.180 -0.14 0.02 C ATOM 960 CE1 TYR A 225 -9.908 -3.399 8.768 -0.14 0.02 C ATOM 961 CE2 TYR A 225 -11.126 -3.283 10.825 -0.14 0.02 C ATOM 962 CZ TYR A 225 -10.016 -3.691 10.112 0.20 0.02 C ATOM 963 OH TYR A 225 -9.012 -4.387 10.746 -0.60 0.02 O ATOM 0 H TYR A 225 -10.835 -0.668 7.266 -0.36 0.02 H new ATOM 0 HA TYR A 225 -13.639 0.109 6.925 1.00 0.02 H new ATOM 0 HB2 TYR A 225 -14.006 -1.484 8.824 -0.20 0.02 H new ATOM 0 HB3 TYR A 225 -13.498 -2.165 7.292 -0.20 0.02 H new ATOM 0 HD1 TYR A 225 -10.818 -2.476 7.086 -0.14 0.02 H new ATOM 0 HD2 TYR A 225 -13.002 -2.276 10.737 -0.14 0.02 H new ATOM 0 HE1 TYR A 225 -9.038 -3.717 8.213 -0.14 0.02 H new ATOM 0 HE2 TYR A 225 -11.208 -3.505 11.879 -0.14 0.02 H new ATOM 0 HH TYR A 225 -9.244 -4.508 11.690 -0.60 0.02 H new ATOM 973 N CYS A 226 -13.961 1.523 8.916 -0.36 0.02 N ATOM 974 CA CYS A 226 -14.114 2.587 9.899 1.00 0.02 C ATOM 975 C CYS A 226 -15.087 2.209 11.012 0.48 0.02 C ATOM 976 O CYS A 226 -15.528 1.063 11.096 -0.48 0.02 O ATOM 977 CB CYS A 226 -14.592 3.824 9.162 0.20 0.02 C ATOM 978 SG CYS A 226 -13.815 4.004 7.522 -0.20 0.02 S ATOM 0 H CYS A 226 -14.806 1.333 8.377 -0.36 0.02 H new ATOM 0 HA CYS A 226 -13.156 2.771 10.386 1.00 0.02 H new ATOM 0 HB2 CYS A 226 -15.675 3.777 9.044 0.20 0.02 H new ATOM 0 HB3 CYS A 226 -14.375 4.707 9.762 0.20 0.02 H new ATOM 983 N ASP A 227 -15.393 3.175 11.884 -0.36 0.02 N ATOM 984 CA ASP A 227 -16.286 2.935 13.011 1.00 0.02 C ATOM 985 C ASP A 227 -15.602 2.055 14.056 0.48 0.02 C ATOM 986 O ASP A 227 -16.230 1.196 14.673 -0.48 0.02 O ATOM 987 CB ASP A 227 -17.592 2.286 12.541 -0.45 0.02 C ATOM 988 CG ASP A 227 -18.552 2.007 13.684 0.49 0.02 C ATOM 989 OD1 ASP A 227 -18.542 2.776 14.668 -0.62 0.02 O ATOM 990 OD2 ASP A 227 -19.313 1.021 13.593 -0.62 0.02 O ATOM 0 H ASP A 227 -15.034 4.128 11.827 -0.36 0.02 H new ATOM 0 HA ASP A 227 -16.525 3.896 13.467 1.00 0.02 H new ATOM 0 HB2 ASP A 227 -18.077 2.939 11.816 -0.45 0.02 H new ATOM 0 HB3 ASP A 227 -17.364 1.352 12.027 -0.45 0.02 H new ATOM 995 N GLY A 228 -14.305 2.277 14.247 -0.36 0.02 N ATOM 996 CA GLY A 228 -13.553 1.500 15.215 -0.10 0.02 C ATOM 997 C GLY A 228 -12.824 2.366 16.229 0.48 0.02 C ATOM 998 O GLY A 228 -12.222 1.850 17.170 -0.48 0.02 O ATOM 0 H GLY A 228 -13.761 2.981 13.748 -0.36 0.02 H new ATOM 0 HA2 GLY A 228 -14.232 0.828 15.740 -0.10 0.02 H new ATOM 0 HA3 GLY A 228 -12.829 0.877 14.690 -0.10 0.02 H new ATOM 1002 N LYS A 229 -12.875 3.683 16.040 -0.36 0.02 N ATOM 1003 CA LYS A 229 -12.212 4.610 16.950 1.00 0.02 C ATOM 1004 C LYS A 229 -13.231 5.428 17.739 0.48 0.02 C ATOM 1005 O LYS A 229 -13.324 5.308 18.960 -0.48 0.02 O ATOM 1006 CB LYS A 229 -11.287 5.546 16.170 -0.20 0.02 C ATOM 1007 CG LYS A 229 -10.491 6.490 17.056 -0.20 0.02 C ATOM 1008 CD LYS A 229 -9.567 7.377 16.238 -0.20 0.02 C ATOM 1009 CE LYS A 229 -8.410 7.898 17.074 0.30 5.02 C ATOM 1010 NZ LYS A 229 -8.089 9.317 16.757 -0.81 0.02 N ATOM 0 H LYS A 229 -13.368 4.130 15.267 -0.36 0.02 H new ATOM 0 HA LYS A 229 -11.621 4.025 17.655 1.00 0.02 H new ATOM 0 HB2 LYS A 229 -10.595 4.948 15.576 -0.20 0.02 H new ATOM 0 HB3 LYS A 229 -11.883 6.133 15.471 -0.20 0.02 H new ATOM 0 HG2 LYS A 229 -11.175 7.111 17.634 -0.20 0.02 H new ATOM 0 HG3 LYS A 229 -9.904 5.912 17.770 -0.20 0.02 H new ATOM 0 HD2 LYS A 229 -9.179 6.815 15.389 -0.20 0.02 H new ATOM 0 HD3 LYS A 229 -10.132 8.217 15.833 -0.20 0.02 H new ATOM 0 HE2 LYS A 229 -8.658 7.810 18.132 0.30 5.02 H new ATOM 0 HE3 LYS A 229 -7.530 7.279 16.900 0.30 5.02 H new ATOM 0 HZ1 LYS A 229 -7.295 9.634 17.349 -0.81 0.02 H new ATOM 0 HZ2 LYS A 229 -7.827 9.398 15.754 -0.81 0.02 H new ATOM 0 HZ3 LYS A 229 -8.921 9.912 16.947 -0.81 0.02 H new ATOM 1024 N LYS A 230 -13.989 6.259 17.032 -0.36 0.02 N ATOM 1025 CA LYS A 230 -15.000 7.099 17.666 1.00 0.02 C ATOM 1026 C LYS A 230 -16.396 6.492 17.532 0.48 0.02 C ATOM 1027 O LYS A 230 -17.389 7.116 17.903 -0.48 0.02 O ATOM 1028 CB LYS A 230 -14.982 8.500 17.052 -0.20 0.02 C ATOM 1029 CG LYS A 230 -13.843 9.371 17.556 -0.20 0.02 C ATOM 1030 CD LYS A 230 -13.469 10.440 16.542 -0.20 0.02 C ATOM 1031 CE LYS A 230 -12.520 9.899 15.485 0.30 5.02 C ATOM 1032 NZ LYS A 230 -12.884 10.367 14.119 -0.81 0.02 N ATOM 0 H LYS A 230 -13.923 6.369 16.020 -0.36 0.02 H new ATOM 0 HA LYS A 230 -14.760 7.164 18.727 1.00 0.02 H new ATOM 0 HB2 LYS A 230 -14.908 8.412 15.968 -0.20 0.02 H new ATOM 0 HB3 LYS A 230 -15.929 8.994 17.268 -0.20 0.02 H new ATOM 0 HG2 LYS A 230 -14.133 9.844 18.495 -0.20 0.02 H new ATOM 0 HG3 LYS A 230 -12.974 8.749 17.768 -0.20 0.02 H new ATOM 0 HD2 LYS A 230 -14.371 10.819 16.062 -0.20 0.02 H new ATOM 0 HD3 LYS A 230 -13.003 11.282 17.054 -0.20 0.02 H new ATOM 0 HE2 LYS A 230 -11.502 10.212 15.717 0.30 5.02 H new ATOM 0 HE3 LYS A 230 -12.532 8.809 15.510 0.30 5.02 H new ATOM 0 HZ1 LYS A 230 -12.018 10.533 13.567 -0.81 0.02 H new ATOM 0 HZ2 LYS A 230 -13.463 9.643 13.647 -0.81 0.02 H new ATOM 0 HZ3 LYS A 230 -13.425 11.252 14.188 -0.81 0.02 H new ATOM 1046 N GLY A 231 -16.467 5.273 17.003 -0.36 0.02 N ATOM 1047 CA GLY A 231 -17.748 4.611 16.837 -0.10 0.02 C ATOM 1048 C GLY A 231 -18.642 5.311 15.831 0.48 0.02 C ATOM 1049 O GLY A 231 -19.711 5.810 16.183 -0.48 0.02 O ATOM 0 H GLY A 231 -15.661 4.733 16.687 -0.36 0.02 H new ATOM 0 HA2 GLY A 231 -17.582 3.583 16.516 -0.10 0.02 H new ATOM 0 HA3 GLY A 231 -18.257 4.566 17.800 -0.10 0.02 H new ATOM 1053 N PHE A 232 -18.206 5.346 14.576 -0.36 0.02 N ATOM 1054 CA PHE A 232 -18.976 5.987 13.517 1.00 0.02 C ATOM 1055 C PHE A 232 -19.295 5.013 12.375 0.48 0.02 C ATOM 1056 O PHE A 232 -19.906 3.971 12.602 -0.48 0.02 O ATOM 1057 CB PHE A 232 -18.250 7.216 12.996 -0.16 0.02 C ATOM 1058 CG PHE A 232 -16.778 7.079 12.816 0.03 0.02 C ATOM 1059 CD1 PHE A 232 -15.909 7.378 13.849 -0.16 0.02 C ATOM 1060 CD2 PHE A 232 -16.265 6.704 11.591 -0.16 0.02 C ATOM 1061 CE1 PHE A 232 -14.545 7.294 13.664 -0.15 0.02 C ATOM 1062 CE2 PHE A 232 -14.906 6.628 11.398 -0.15 0.02 C ATOM 1063 CZ PHE A 232 -14.042 6.920 12.435 -0.15 0.02 C ATOM 0 H PHE A 232 -17.323 4.938 14.268 -0.36 0.02 H new ATOM 0 HA PHE A 232 -19.927 6.303 13.947 1.00 0.02 H new ATOM 0 HB2 PHE A 232 -18.689 7.493 12.037 -0.16 0.02 H new ATOM 0 HB3 PHE A 232 -18.437 8.042 13.683 -0.16 0.02 H new ATOM 0 HD1 PHE A 232 -16.302 7.680 14.809 -0.16 0.02 H new ATOM 0 HD2 PHE A 232 -16.936 6.469 10.778 -0.16 0.02 H new ATOM 0 HE1 PHE A 232 -13.873 7.520 14.478 -0.15 0.02 H new ATOM 0 HE2 PHE A 232 -14.514 6.340 10.434 -0.15 0.02 H new ATOM 0 HZ PHE A 232 -12.975 6.856 12.284 -0.15 0.02 H new ATOM 1073 N LYS A 233 -18.914 5.364 11.144 -0.36 0.02 N ATOM 1074 CA LYS A 233 -19.194 4.525 9.992 1.00 0.02 C ATOM 1075 C LYS A 233 -18.259 4.846 8.829 0.48 0.02 C ATOM 1076 O LYS A 233 -17.800 5.977 8.681 -0.48 0.02 O ATOM 1077 CB LYS A 233 -20.629 4.758 9.558 -0.20 0.02 C ATOM 1078 CG LYS A 233 -21.322 3.516 9.019 -0.20 0.02 C ATOM 1079 CD LYS A 233 -22.784 3.470 9.433 -0.20 0.02 C ATOM 1080 CE LYS A 233 -23.397 2.106 9.163 0.30 5.02 C ATOM 1081 NZ LYS A 233 -22.992 1.102 10.185 -0.81 0.02 N ATOM 0 H LYS A 233 -18.411 6.225 10.927 -0.36 0.02 H new ATOM 0 HA LYS A 233 -19.039 3.484 10.274 1.00 0.02 H new ATOM 0 HB2 LYS A 233 -21.197 5.139 10.407 -0.20 0.02 H new ATOM 0 HB3 LYS A 233 -20.645 5.532 8.791 -0.20 0.02 H new ATOM 0 HG2 LYS A 233 -21.250 3.501 7.931 -0.20 0.02 H new ATOM 0 HG3 LYS A 233 -20.811 2.625 9.385 -0.20 0.02 H new ATOM 0 HD2 LYS A 233 -22.870 3.705 10.494 -0.20 0.02 H new ATOM 0 HD3 LYS A 233 -23.341 4.234 8.891 -0.20 0.02 H new ATOM 0 HE2 LYS A 233 -24.483 2.193 9.150 0.30 5.02 H new ATOM 0 HE3 LYS A 233 -23.093 1.761 8.175 0.30 5.02 H new ATOM 0 HZ1 LYS A 233 -23.471 0.199 9.994 -0.81 0.02 H new ATOM 0 HZ2 LYS A 233 -21.962 0.962 10.146 -0.81 0.02 H new ATOM 0 HZ3 LYS A 233 -23.259 1.442 11.131 -0.81 0.02 H new ATOM 1095 N LEU A 234 -17.988 3.849 7.999 -0.36 0.02 N ATOM 1096 CA LEU A 234 -17.120 4.041 6.846 1.00 0.02 C ATOM 1097 C LEU A 234 -17.865 4.782 5.740 0.48 0.02 C ATOM 1098 O LEU A 234 -18.849 4.275 5.202 -0.48 0.02 O ATOM 1099 CB LEU A 234 -16.615 2.682 6.338 -0.20 0.02 C ATOM 1100 CG LEU A 234 -16.114 2.653 4.888 -0.10 0.02 C ATOM 1101 CD1 LEU A 234 -15.049 3.716 4.660 -0.30 0.02 C ATOM 1102 CD2 LEU A 234 -15.573 1.272 4.542 -0.30 0.02 C ATOM 0 H LEU A 234 -18.355 2.903 8.101 -0.36 0.02 H new ATOM 0 HA LEU A 234 -16.262 4.643 7.145 1.00 0.02 H new ATOM 0 HB2 LEU A 234 -15.806 2.351 6.988 -0.20 0.02 H new ATOM 0 HB3 LEU A 234 -17.422 1.956 6.438 -0.20 0.02 H new ATOM 0 HG LEU A 234 -16.956 2.872 4.231 -0.10 0.02 H new ATOM 0 HD11 LEU A 234 -14.710 3.675 3.625 -0.30 0.02 H new ATOM 0 HD12 LEU A 234 -15.468 4.701 4.866 -0.30 0.02 H new ATOM 0 HD13 LEU A 234 -14.205 3.534 5.326 -0.30 0.02 H new ATOM 0 HD21 LEU A 234 -15.221 1.267 3.510 -0.30 0.02 H new ATOM 0 HD22 LEU A 234 -14.746 1.028 5.209 -0.30 0.02 H new ATOM 0 HD23 LEU A 234 -16.364 0.531 4.659 -0.30 0.02 H new ATOM 1114 N ALA A 235 -17.417 6.001 5.435 -0.36 0.02 N ATOM 1115 CA ALA A 235 -18.072 6.826 4.420 1.00 0.02 C ATOM 1116 C ALA A 235 -18.321 6.056 3.120 0.48 0.02 C ATOM 1117 O ALA A 235 -18.148 4.839 3.055 -0.48 0.02 O ATOM 1118 CB ALA A 235 -17.240 8.067 4.137 -0.30 0.02 C ATOM 0 H ALA A 235 -16.606 6.437 5.875 -0.36 0.02 H new ATOM 0 HA ALA A 235 -19.044 7.119 4.818 1.00 0.02 H new ATOM 0 HB1 ALA A 235 -17.737 8.674 3.380 -0.30 0.02 H new ATOM 0 HB2 ALA A 235 -17.130 8.648 5.053 -0.30 0.02 H new ATOM 0 HB3 ALA A 235 -16.256 7.770 3.775 -0.30 0.02 H new ATOM 1124 N GLN A 236 -18.754 6.778 2.092 -0.36 0.02 N ATOM 1125 CA GLN A 236 -19.063 6.173 0.800 1.00 0.02 C ATOM 1126 C GLN A 236 -17.828 6.002 -0.082 0.48 0.02 C ATOM 1127 O GLN A 236 -17.954 5.780 -1.287 -0.48 0.02 O ATOM 1128 CB GLN A 236 -20.108 7.013 0.065 -0.20 0.02 C ATOM 1129 CG GLN A 236 -21.059 6.190 -0.788 -0.20 0.02 C ATOM 1130 CD GLN A 236 -20.534 5.962 -2.192 0.48 0.02 C ATOM 1131 OE1 GLN A 236 -20.445 4.826 -2.657 -0.48 0.02 O ATOM 1132 NE2 GLN A 236 -20.183 7.045 -2.875 -0.52 0.02 N ATOM 0 H GLN A 236 -18.900 7.787 2.128 -0.36 0.02 H new ATOM 0 HA GLN A 236 -19.457 5.177 1.002 1.00 0.02 H new ATOM 0 HB2 GLN A 236 -20.686 7.579 0.795 -0.20 0.02 H new ATOM 0 HB3 GLN A 236 -19.598 7.738 -0.570 -0.20 0.02 H new ATOM 0 HG2 GLN A 236 -21.231 5.227 -0.308 -0.20 0.02 H new ATOM 0 HG3 GLN A 236 -22.023 6.696 -0.842 -0.20 0.02 H new ATOM 0 HE21 GLN A 236 -20.274 7.968 -2.450 -0.52 0.02 H new ATOM 0 HE22 GLN A 236 -19.823 6.954 -3.825 -0.52 0.02 H new ATOM 1141 N ASP A 237 -16.640 6.101 0.502 -0.36 0.02 N ATOM 1142 CA ASP A 237 -15.410 5.948 -0.270 1.00 0.02 C ATOM 1143 C ASP A 237 -14.742 4.603 0.007 0.48 0.02 C ATOM 1144 O ASP A 237 -13.954 4.116 -0.804 -0.48 0.02 O ATOM 1145 CB ASP A 237 -14.429 7.086 0.039 -0.45 0.02 C ATOM 1146 CG ASP A 237 -15.128 8.400 0.337 0.49 0.02 C ATOM 1147 OD1 ASP A 237 -15.542 9.082 -0.623 -0.62 0.02 O ATOM 1148 OD2 ASP A 237 -15.260 8.745 1.530 -0.62 0.02 O ATOM 0 H ASP A 237 -16.501 6.284 1.496 -0.36 0.02 H new ATOM 0 HA ASP A 237 -15.682 5.987 -1.325 1.00 0.02 H new ATOM 0 HB2 ASP A 237 -13.812 6.806 0.893 -0.45 0.02 H new ATOM 0 HB3 ASP A 237 -13.757 7.221 -0.809 -0.45 0.02 H new ATOM 1153 N GLN A 238 -15.050 4.007 1.162 -0.36 0.02 N ATOM 1154 CA GLN A 238 -14.467 2.718 1.550 1.00 0.02 C ATOM 1155 C GLN A 238 -13.003 2.876 1.978 0.48 0.02 C ATOM 1156 O GLN A 238 -12.438 1.999 2.633 -0.48 0.02 O ATOM 1157 CB GLN A 238 -14.574 1.708 0.400 -0.20 0.02 C ATOM 1158 CG GLN A 238 -15.421 0.492 0.738 -0.20 0.02 C ATOM 1159 CD GLN A 238 -14.584 -0.717 1.106 0.48 0.02 C ATOM 1160 OE1 GLN A 238 -14.400 -1.023 2.284 -0.48 0.02 O ATOM 1161 NE2 GLN A 238 -14.071 -1.411 0.097 -0.52 0.02 N ATOM 0 H GLN A 238 -15.700 4.396 1.845 -0.36 0.02 H new ATOM 0 HA GLN A 238 -15.033 2.343 2.403 1.00 0.02 H new ATOM 0 HB2 GLN A 238 -14.999 2.206 -0.472 -0.20 0.02 H new ATOM 0 HB3 GLN A 238 -13.573 1.378 0.123 -0.20 0.02 H new ATOM 0 HG2 GLN A 238 -16.085 0.736 1.567 -0.20 0.02 H new ATOM 0 HG3 GLN A 238 -16.053 0.246 -0.115 -0.20 0.02 H new ATOM 0 HE21 GLN A 238 -14.250 -1.121 -0.864 -0.52 0.02 H new ATOM 0 HE22 GLN A 238 -13.498 -2.234 0.283 -0.52 0.02 H new ATOM 1170 N LYS A 239 -12.403 4.001 1.604 -0.36 0.02 N ATOM 1171 CA LYS A 239 -11.015 4.280 1.945 1.00 0.02 C ATOM 1172 C LYS A 239 -10.936 5.189 3.169 0.48 0.02 C ATOM 1173 O LYS A 239 -10.275 4.864 4.154 -0.48 0.02 O ATOM 1174 CB LYS A 239 -10.288 4.926 0.762 -0.20 0.02 C ATOM 1175 CG LYS A 239 -10.663 4.331 -0.587 -0.20 0.02 C ATOM 1176 CD LYS A 239 -10.479 2.821 -0.605 -0.20 0.02 C ATOM 1177 CE LYS A 239 -9.827 2.353 -1.896 0.30 5.02 C ATOM 1178 NZ LYS A 239 -10.628 2.731 -3.094 -0.81 0.02 N ATOM 0 H LYS A 239 -12.859 4.736 1.063 -0.36 0.02 H new ATOM 0 HA LYS A 239 -10.526 3.334 2.180 1.00 0.02 H new ATOM 0 HB2 LYS A 239 -10.507 5.994 0.752 -0.20 0.02 H new ATOM 0 HB3 LYS A 239 -9.213 4.823 0.908 -0.20 0.02 H new ATOM 0 HG2 LYS A 239 -11.700 4.574 -0.817 -0.20 0.02 H new ATOM 0 HG3 LYS A 239 -10.050 4.782 -1.367 -0.20 0.02 H new ATOM 0 HD2 LYS A 239 -9.866 2.518 0.244 -0.20 0.02 H new ATOM 0 HD3 LYS A 239 -11.447 2.334 -0.488 -0.20 0.02 H new ATOM 0 HE2 LYS A 239 -8.829 2.785 -1.976 0.30 5.02 H new ATOM 0 HE3 LYS A 239 -9.704 1.270 -1.869 0.30 5.02 H new ATOM 0 HZ1 LYS A 239 -10.194 2.321 -3.945 -0.81 0.02 H new ATOM 0 HZ2 LYS A 239 -11.598 2.369 -2.991 -0.81 0.02 H new ATOM 0 HZ3 LYS A 239 -10.652 3.767 -3.183 -0.81 0.02 H new ATOM 1192 N SER A 240 -11.622 6.326 3.101 -0.36 0.02 N ATOM 1193 CA SER A 240 -11.638 7.278 4.206 1.00 0.02 C ATOM 1194 C SER A 240 -12.576 6.799 5.307 0.48 0.02 C ATOM 1195 O SER A 240 -13.054 5.666 5.271 -0.48 0.02 O ATOM 1196 CB SER A 240 -12.068 8.661 3.713 0.08 0.02 C ATOM 1197 OG SER A 240 -11.283 9.681 4.306 -0.68 0.02 O ATOM 0 H SER A 240 -12.174 6.610 2.292 -0.36 0.02 H new ATOM 0 HA SER A 240 -10.629 7.350 4.613 1.00 0.02 H new ATOM 0 HB2 SER A 240 -11.973 8.709 2.628 0.08 0.02 H new ATOM 0 HB3 SER A 240 -13.120 8.824 3.949 0.08 0.02 H new ATOM 0 HG SER A 240 -11.576 10.555 3.973 -0.68 0.02 H new ATOM 1203 N CYS A 241 -12.831 7.662 6.286 -0.36 0.02 N ATOM 1204 CA CYS A 241 -13.704 7.313 7.401 1.00 0.02 C ATOM 1205 C CYS A 241 -14.420 8.546 7.938 0.48 0.02 C ATOM 1206 O CYS A 241 -13.795 9.580 8.176 -0.48 0.02 O ATOM 1207 CB CYS A 241 -12.876 6.630 8.492 0.20 0.02 C ATOM 1208 SG CYS A 241 -12.150 5.075 7.926 -0.20 0.02 S ATOM 0 H CYS A 241 -12.446 8.606 6.330 -0.36 0.02 H new ATOM 0 HA CYS A 241 -14.473 6.622 7.056 1.00 0.02 H new ATOM 0 HB2 CYS A 241 -12.082 7.302 8.818 0.20 0.02 H new ATOM 0 HB3 CYS A 241 -13.508 6.439 9.359 0.20 0.02 H new ATOM 1213 N GLU A 242 -15.741 8.447 8.104 -0.36 0.02 N ATOM 1214 CA GLU A 242 -16.520 9.581 8.586 1.00 0.02 C ATOM 1215 C GLU A 242 -17.597 9.178 9.594 0.48 0.02 C ATOM 1216 O GLU A 242 -18.182 8.100 9.509 -0.48 0.02 O ATOM 1217 CB GLU A 242 -17.166 10.309 7.407 -0.20 0.02 C ATOM 1218 CG GLU A 242 -17.193 11.821 7.565 -0.45 0.02 C ATOM 1219 CD GLU A 242 -18.406 12.305 8.335 0.49 0.02 C ATOM 1220 OE1 GLU A 242 -19.501 12.368 7.737 -0.62 0.02 O ATOM 1221 OE2 GLU A 242 -18.262 12.621 9.534 -0.62 0.02 O ATOM 0 H GLU A 242 -16.284 7.605 7.914 -0.36 0.02 H new ATOM 0 HA GLU A 242 -15.826 10.243 9.104 1.00 0.02 H new ATOM 0 HB2 GLU A 242 -16.625 10.057 6.495 -0.20 0.02 H new ATOM 0 HB3 GLU A 242 -18.187 9.947 7.282 -0.20 0.02 H new ATOM 0 HG2 GLU A 242 -16.288 12.145 8.079 -0.45 0.02 H new ATOM 0 HG3 GLU A 242 -17.184 12.286 6.579 -0.45 0.02 H new ATOM 1228 N VAL A 243 -17.861 10.074 10.542 -0.36 0.02 N ATOM 1229 CA VAL A 243 -18.876 9.849 11.569 1.00 0.02 C ATOM 1230 C VAL A 243 -20.192 10.518 11.184 0.48 0.02 C ATOM 1231 O VAL A 243 -20.257 11.735 11.012 -0.48 0.02 O ATOM 1232 CB VAL A 243 -18.413 10.379 12.944 -0.10 0.02 C ATOM 1233 CG1 VAL A 243 -17.956 11.826 12.841 -0.30 0.02 C ATOM 1234 CG2 VAL A 243 -19.518 10.234 13.982 -0.30 0.02 C ATOM 0 H VAL A 243 -17.381 10.971 10.620 -0.36 0.02 H new ATOM 0 HA VAL A 243 -19.028 8.772 11.644 1.00 0.02 H new ATOM 0 HB VAL A 243 -17.564 9.778 13.268 -0.10 0.02 H new ATOM 0 HG11 VAL A 243 -17.635 12.177 13.822 -0.30 0.02 H new ATOM 0 HG12 VAL A 243 -17.124 11.896 12.140 -0.30 0.02 H new ATOM 0 HG13 VAL A 243 -18.781 12.444 12.487 -0.30 0.02 H new ATOM 0 HG21 VAL A 243 -19.168 10.614 14.942 -0.30 0.02 H new ATOM 0 HG22 VAL A 243 -20.393 10.802 13.664 -0.30 0.02 H new ATOM 0 HG23 VAL A 243 -19.786 9.182 14.084 -0.30 0.02 H new