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 Set 1.1: A 165 SER OG : rot 180:sc= 0.0153 USER MOD Set 1.2: A 173 THR OG1 : rot -122:sc= 0.014 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 SER OG : rot 13:sc= 1.37 USER MOD Single : A 177 LYS NZ :NH3+ -174:sc= -0.0155 (180deg=-0.046) USER MOD Single : A 178 ASN : amide:sc= -9.12! C(o=-9.1!,f=-9.9!) USER MOD Single : A 191 TYR OH : rot -2:sc= -0.652 USER MOD Single : A 193 TYR OH : rot 110:sc= -4! USER MOD Single : A 194 ASN : amide:sc= -1.66 K(o=-1.7,f=-0.61) 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+ 164:sc= -0.0204 (180deg=-0.192) USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 207 SER OG : rot 180:sc= 0 USER MOD Single : A 209 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 210 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 213 GLN : amide:sc= -3.11 K(o=-3.1,f=-7.7!) USER MOD Single : A 217 ASN : amide:sc= -9.56! C(o=-9.6!,f=-12!) USER MOD Single : A 218 TYR OH : rot 180:sc= 0 USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 223 THR OG1 : rot 102:sc= -0.766 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+ -109:sc= -1.05 (180deg=-1.79) USER MOD Single : A 233 LYS NZ :NH3+ 148:sc= -0.172 (180deg=-1.18!) USER MOD Single : A 236 GLN : amide:sc= 0.298 X(o=0.3,f=0) USER MOD Single : A 238 GLN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 239 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0106) USER MOD Single : A 240 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 160 15.334 7.021 -12.016 -0.36 0.02 N ATOM 26 CA ASP A 160 16.118 8.140 -11.501 1.00 0.01 C ATOM 27 C ASP A 160 17.108 7.664 -10.441 0.48 0.02 C ATOM 28 O ASP A 160 18.290 7.469 -10.724 -0.48 0.02 O ATOM 29 CB ASP A 160 15.199 9.221 -10.916 -0.45 0.01 C ATOM 30 CG ASP A 160 13.881 8.664 -10.402 0.49 0.01 C ATOM 31 OD1 ASP A 160 13.865 8.110 -9.281 -0.62 0.01 O ATOM 32 OD2 ASP A 160 12.867 8.782 -11.121 -0.62 0.01 O ATOM 0 HA ASP A 160 16.678 8.570 -12.332 1.00 0.01 H new ATOM 0 HB2 ASP A 160 15.716 9.728 -10.101 -0.45 0.01 H new ATOM 0 HB3 ASP A 160 14.997 9.971 -11.680 -0.45 0.01 H new ATOM 37 N VAL A 161 16.615 7.474 -9.222 -0.36 0.01 N ATOM 38 CA VAL A 161 17.447 7.015 -8.118 1.00 0.01 C ATOM 39 C VAL A 161 16.606 6.262 -7.098 0.48 0.01 C ATOM 40 O VAL A 161 15.402 6.513 -6.973 -0.48 0.01 O ATOM 41 CB VAL A 161 18.158 8.187 -7.419 -0.10 0.01 C ATOM 42 CG1 VAL A 161 19.069 8.915 -8.394 -0.30 0.02 C ATOM 43 CG2 VAL A 161 17.141 9.140 -6.809 -0.30 0.02 C ATOM 0 H VAL A 161 15.638 7.632 -8.974 -0.36 0.01 H new ATOM 0 HA VAL A 161 18.203 6.351 -8.537 1.00 0.01 H new ATOM 0 HB VAL A 161 18.774 7.788 -6.613 -0.10 0.01 H new ATOM 0 HG11 VAL A 161 19.564 9.741 -7.883 -0.30 0.02 H new ATOM 0 HG12 VAL A 161 19.820 8.223 -8.776 -0.30 0.02 H new ATOM 0 HG13 VAL A 161 18.478 9.304 -9.223 -0.30 0.02 H new ATOM 0 HG21 VAL A 161 17.662 9.963 -6.319 -0.30 0.02 H new ATOM 0 HG22 VAL A 161 16.496 9.535 -7.594 -0.30 0.02 H new ATOM 0 HG23 VAL A 161 16.536 8.606 -6.077 -0.30 0.02 H new ATOM 53 N ASP A 162 17.239 5.334 -6.376 -0.36 0.01 N ATOM 54 CA ASP A 162 16.539 4.536 -5.371 1.00 0.01 C ATOM 55 C ASP A 162 15.140 4.191 -5.866 0.48 0.01 C ATOM 56 O ASP A 162 14.161 4.848 -5.516 -0.48 0.02 O ATOM 57 CB ASP A 162 16.470 5.292 -4.045 -0.45 0.01 C ATOM 58 CG ASP A 162 17.836 5.733 -3.559 0.49 0.02 C ATOM 59 OD1 ASP A 162 18.290 6.822 -3.970 -0.62 0.02 O ATOM 60 OD2 ASP A 162 18.453 4.990 -2.767 -0.62 0.02 O ATOM 0 H ASP A 162 18.232 5.118 -6.469 -0.36 0.01 H new ATOM 0 HA ASP A 162 17.090 3.610 -5.207 1.00 0.01 H new ATOM 0 HB2 ASP A 162 15.829 6.166 -4.161 -0.45 0.01 H new ATOM 0 HB3 ASP A 162 16.007 4.656 -3.291 -0.45 0.01 H new ATOM 65 N GLU A 163 15.064 3.182 -6.716 -0.36 0.02 N ATOM 66 CA GLU A 163 13.799 2.774 -7.300 1.00 0.02 C ATOM 67 C GLU A 163 13.122 1.685 -6.472 0.48 0.02 C ATOM 68 O GLU A 163 12.289 1.976 -5.613 -0.48 0.02 O ATOM 69 CB GLU A 163 14.019 2.305 -8.744 -0.20 0.01 C ATOM 70 CG GLU A 163 14.771 3.311 -9.604 -0.45 0.01 C ATOM 71 CD GLU A 163 14.197 4.713 -9.516 0.49 0.01 C ATOM 72 OE1 GLU A 163 14.178 5.280 -8.403 -0.62 0.01 O ATOM 73 OE2 GLU A 163 13.766 5.244 -10.561 -0.62 0.01 O ATOM 0 H GLU A 163 15.866 2.629 -7.018 -0.36 0.02 H new ATOM 0 HA GLU A 163 13.132 3.636 -7.304 1.00 0.02 H new ATOM 0 HB2 GLU A 163 14.571 1.365 -8.732 -0.20 0.01 H new ATOM 0 HB3 GLU A 163 13.051 2.100 -9.202 -0.20 0.01 H new ATOM 0 HG2 GLU A 163 15.817 3.333 -9.297 -0.45 0.01 H new ATOM 0 HG3 GLU A 163 14.750 2.980 -10.642 -0.45 0.01 H new ATOM 80 N CYS A 164 13.479 0.433 -6.729 -0.36 0.02 N ATOM 81 CA CYS A 164 12.901 -0.688 -6.004 1.00 0.02 C ATOM 82 C CYS A 164 13.658 -0.934 -4.702 0.48 0.02 C ATOM 83 O CYS A 164 13.155 -1.595 -3.794 -0.48 0.02 O ATOM 84 CB CYS A 164 12.910 -1.933 -6.884 0.20 0.02 C ATOM 85 SG CYS A 164 12.322 -1.626 -8.583 -0.20 0.02 S ATOM 0 H CYS A 164 14.167 0.170 -7.435 -0.36 0.02 H new ATOM 0 HA CYS A 164 11.868 -0.450 -5.749 1.00 0.02 H new ATOM 0 HB2 CYS A 164 13.923 -2.332 -6.925 0.20 0.02 H new ATOM 0 HB3 CYS A 164 12.285 -2.698 -6.424 0.20 0.02 H new ATOM 90 N SER A 165 14.860 -0.372 -4.610 -0.36 0.02 N ATOM 91 CA SER A 165 15.677 -0.499 -3.411 1.00 0.02 C ATOM 92 C SER A 165 15.497 0.736 -2.532 0.48 0.02 C ATOM 93 O SER A 165 16.381 1.094 -1.753 -0.48 0.02 O ATOM 94 CB SER A 165 17.150 -0.663 -3.787 0.08 0.02 C ATOM 95 OG SER A 165 17.323 -1.705 -4.731 -0.68 0.02 O ATOM 0 H SER A 165 15.289 0.177 -5.355 -0.36 0.02 H new ATOM 0 HA SER A 165 15.358 -1.383 -2.858 1.00 0.02 H new ATOM 0 HB2 SER A 165 17.529 0.272 -4.199 0.08 0.02 H new ATOM 0 HB3 SER A 165 17.735 -0.878 -2.893 0.08 0.02 H new ATOM 0 HG SER A 165 18.273 -1.788 -4.956 -0.68 0.02 H new ATOM 101 N LEU A 166 14.343 1.388 -2.675 -0.36 0.02 N ATOM 102 CA LEU A 166 14.033 2.591 -1.913 1.00 0.02 C ATOM 103 C LEU A 166 13.642 2.244 -0.481 0.48 0.02 C ATOM 104 O LEU A 166 13.976 2.966 0.458 -0.48 0.02 O ATOM 105 CB LEU A 166 12.901 3.360 -2.599 -0.20 0.02 C ATOM 106 CG LEU A 166 12.708 4.802 -2.127 -0.10 0.02 C ATOM 107 CD1 LEU A 166 13.911 5.648 -2.504 -0.30 0.02 C ATOM 108 CD2 LEU A 166 11.435 5.389 -2.722 -0.30 0.02 C ATOM 0 H LEU A 166 13.605 1.098 -3.317 -0.36 0.02 H new ATOM 0 HA LEU A 166 14.924 3.218 -1.877 1.00 0.02 H new ATOM 0 HB2 LEU A 166 13.089 3.369 -3.673 -0.20 0.02 H new ATOM 0 HB3 LEU A 166 11.969 2.817 -2.443 -0.20 0.02 H new ATOM 0 HG LEU A 166 12.613 4.802 -1.041 -0.10 0.02 H new ATOM 0 HD11 LEU A 166 13.758 6.671 -2.161 -0.30 0.02 H new ATOM 0 HD12 LEU A 166 14.805 5.238 -2.035 -0.30 0.02 H new ATOM 0 HD13 LEU A 166 14.034 5.643 -3.587 -0.30 0.02 H new ATOM 0 HD21 LEU A 166 11.312 6.415 -2.377 -0.30 0.02 H new ATOM 0 HD22 LEU A 166 11.503 5.378 -3.810 -0.30 0.02 H new ATOM 0 HD23 LEU A 166 10.578 4.794 -2.406 -0.30 0.02 H new ATOM 120 N LYS A 167 12.936 1.131 -0.322 -0.36 0.02 N ATOM 121 CA LYS A 167 12.500 0.680 0.993 1.00 0.02 C ATOM 122 C LYS A 167 13.125 -0.671 1.331 0.48 0.02 C ATOM 123 O LYS A 167 13.677 -1.342 0.459 -0.48 0.02 O ATOM 124 CB LYS A 167 10.974 0.583 1.040 -0.20 0.02 C ATOM 125 CG LYS A 167 10.309 1.792 1.679 -0.20 0.02 C ATOM 126 CD LYS A 167 9.224 1.379 2.661 -0.20 0.02 C ATOM 127 CE LYS A 167 7.989 0.863 1.941 0.30 5.02 C ATOM 128 NZ LYS A 167 7.149 1.973 1.413 -0.81 0.02 N ATOM 0 H LYS A 167 12.653 0.523 -1.090 -0.36 0.02 H new ATOM 0 HA LYS A 167 12.829 1.408 1.734 1.00 0.02 H new ATOM 0 HB2 LYS A 167 10.594 0.463 0.025 -0.20 0.02 H new ATOM 0 HB3 LYS A 167 10.692 -0.312 1.594 -0.20 0.02 H new ATOM 0 HG2 LYS A 167 11.060 2.390 2.195 -0.20 0.02 H new ATOM 0 HG3 LYS A 167 9.877 2.423 0.903 -0.20 0.02 H new ATOM 0 HD2 LYS A 167 9.609 0.606 3.326 -0.20 0.02 H new ATOM 0 HD3 LYS A 167 8.953 2.231 3.285 -0.20 0.02 H new ATOM 0 HE2 LYS A 167 8.293 0.215 1.119 0.30 5.02 H new ATOM 0 HE3 LYS A 167 7.398 0.254 2.625 0.30 5.02 H new ATOM 0 HZ1 LYS A 167 6.317 1.579 0.929 -0.81 0.02 H new ATOM 0 HZ2 LYS A 167 6.838 2.577 2.200 -0.81 0.02 H new ATOM 0 HZ3 LYS A 167 7.705 2.539 0.740 -0.81 0.02 H new ATOM 142 N PRO A 168 13.049 -1.093 2.606 -0.36 0.02 N ATOM 143 CA PRO A 168 13.610 -2.370 3.052 1.00 0.02 C ATOM 144 C PRO A 168 13.238 -3.523 2.124 0.48 0.02 C ATOM 145 O PRO A 168 14.028 -4.445 1.920 -0.48 0.02 O ATOM 146 CB PRO A 168 12.996 -2.579 4.447 -0.20 0.02 C ATOM 147 CG PRO A 168 11.989 -1.487 4.623 -0.20 0.02 C ATOM 148 CD PRO A 168 12.415 -0.372 3.714 0.06 0.02 C ATOM 0 HA PRO A 168 14.700 -2.349 3.058 1.00 0.02 H new ATOM 0 HB2 PRO A 168 12.526 -3.559 4.523 -0.20 0.02 H new ATOM 0 HB3 PRO A 168 13.762 -2.532 5.221 -0.20 0.02 H new ATOM 0 HG2 PRO A 168 10.988 -1.836 4.368 -0.20 0.02 H new ATOM 0 HG3 PRO A 168 11.955 -1.152 5.660 -0.20 0.02 H new ATOM 0 HD2 PRO A 168 11.567 0.224 3.378 0.06 0.02 H new ATOM 0 HD3 PRO A 168 13.109 0.310 4.205 0.06 0.02 H new ATOM 156 N SER A 169 12.034 -3.466 1.565 -0.36 0.02 N ATOM 157 CA SER A 169 11.567 -4.511 0.659 1.00 0.02 C ATOM 158 C SER A 169 10.416 -4.016 -0.212 0.48 0.02 C ATOM 159 O SER A 169 9.258 -4.041 0.203 -0.48 0.02 O ATOM 160 CB SER A 169 11.125 -5.741 1.454 0.08 0.02 C ATOM 161 OG SER A 169 9.925 -5.485 2.164 -0.68 0.02 O ATOM 0 H SER A 169 11.366 -2.711 1.722 -0.36 0.02 H new ATOM 0 HA SER A 169 12.397 -4.782 0.006 1.00 0.02 H new ATOM 0 HB2 SER A 169 10.978 -6.582 0.777 0.08 0.02 H new ATOM 0 HB3 SER A 169 11.911 -6.028 2.153 0.08 0.02 H new ATOM 0 HG SER A 169 9.525 -4.651 1.841 -0.68 0.02 H new ATOM 167 N ILE A 170 10.738 -3.579 -1.426 -0.36 0.02 N ATOM 168 CA ILE A 170 9.723 -3.095 -2.355 1.00 0.02 C ATOM 169 C ILE A 170 9.349 -4.165 -3.360 0.48 0.02 C ATOM 170 O ILE A 170 8.277 -4.765 -3.284 -0.48 0.02 O ATOM 171 CB ILE A 170 10.197 -1.869 -3.158 -0.10 0.02 C ATOM 172 CG1 ILE A 170 10.687 -0.758 -2.223 -0.20 0.02 C ATOM 173 CG2 ILE A 170 9.083 -1.372 -4.069 -0.30 0.02 C ATOM 174 CD1 ILE A 170 9.979 0.566 -2.427 -0.30 0.02 C ATOM 0 H ILE A 170 11.691 -3.550 -1.788 -0.36 0.02 H new ATOM 0 HA ILE A 170 8.868 -2.821 -1.736 1.00 0.02 H new ATOM 0 HB ILE A 170 11.039 -2.168 -3.782 -0.10 0.02 H new ATOM 0 HG12 ILE A 170 10.550 -1.078 -1.190 -0.20 0.02 H new ATOM 0 HG13 ILE A 170 11.757 -0.615 -2.373 -0.20 0.02 H new ATOM 0 HG21 ILE A 170 9.432 -0.505 -4.631 -0.30 0.02 H new ATOM 0 HG22 ILE A 170 8.800 -2.164 -4.763 -0.30 0.02 H new ATOM 0 HG23 ILE A 170 8.219 -1.091 -3.467 -0.30 0.02 H new ATOM 0 HD11 ILE A 170 10.378 1.303 -1.731 -0.30 0.02 H new ATOM 0 HD12 ILE A 170 10.137 0.909 -3.449 -0.30 0.02 H new ATOM 0 HD13 ILE A 170 8.911 0.439 -2.248 -0.30 0.02 H new ATOM 186 N CYS A 171 10.236 -4.375 -4.326 -0.36 0.02 N ATOM 187 CA CYS A 171 9.992 -5.341 -5.368 1.00 0.02 C ATOM 188 C CYS A 171 11.266 -6.072 -5.777 0.48 0.02 C ATOM 189 O CYS A 171 11.364 -6.578 -6.895 -0.48 0.02 O ATOM 190 CB CYS A 171 9.379 -4.637 -6.575 0.20 0.02 C ATOM 191 SG CYS A 171 7.676 -5.150 -6.952 -0.20 0.02 S ATOM 0 H CYS A 171 11.127 -3.885 -4.401 -0.36 0.02 H new ATOM 0 HA CYS A 171 9.300 -6.089 -4.982 1.00 0.02 H new ATOM 0 HB2 CYS A 171 9.392 -3.561 -6.399 0.20 0.02 H new ATOM 0 HB3 CYS A 171 10.005 -4.825 -7.448 0.20 0.02 H new ATOM 196 N GLY A 172 12.240 -6.129 -4.873 -0.36 0.02 N ATOM 197 CA GLY A 172 13.489 -6.807 -5.176 -0.10 0.02 C ATOM 198 C GLY A 172 14.056 -6.400 -6.518 0.48 0.02 C ATOM 199 O GLY A 172 14.592 -7.232 -7.251 -0.48 0.02 O ATOM 0 H GLY A 172 12.188 -5.720 -3.940 -0.36 0.02 H new ATOM 0 HA2 GLY A 172 14.217 -6.587 -4.395 -0.10 0.02 H new ATOM 0 HA3 GLY A 172 13.326 -7.885 -5.165 -0.10 0.02 H new ATOM 203 N THR A 173 13.933 -5.113 -6.837 -0.36 0.02 N ATOM 204 CA THR A 173 14.422 -4.570 -8.093 1.00 0.02 C ATOM 205 C THR A 173 14.220 -5.561 -9.240 0.48 0.02 C ATOM 206 O THR A 173 15.141 -5.847 -10.005 -0.48 0.02 O ATOM 207 CB THR A 173 15.888 -4.181 -7.948 0.18 0.02 C ATOM 208 OG1 THR A 173 16.205 -3.929 -6.590 -0.68 0.02 O ATOM 209 CG2 THR A 173 16.268 -2.946 -8.742 -0.30 0.02 C ATOM 0 H THR A 173 13.492 -4.422 -6.230 -0.36 0.02 H new ATOM 0 HA THR A 173 13.847 -3.677 -8.337 1.00 0.02 H new ATOM 0 HB THR A 173 16.450 -5.029 -8.339 0.18 0.02 H new ATOM 0 HG1 THR A 173 16.553 -3.018 -6.499 -0.68 0.02 H new ATOM 0 HG21 THR A 173 17.325 -2.728 -8.592 -0.30 0.02 H new ATOM 0 HG22 THR A 173 16.081 -3.123 -9.801 -0.30 0.02 H new ATOM 0 HG23 THR A 173 15.671 -2.099 -8.405 -0.30 0.02 H new ATOM 217 N ALA A 174 12.995 -6.077 -9.341 -0.36 0.02 N ATOM 218 CA ALA A 174 12.639 -7.038 -10.382 1.00 0.02 C ATOM 219 C ALA A 174 12.391 -6.325 -11.706 0.48 0.02 C ATOM 220 O ALA A 174 13.223 -6.360 -12.613 -0.48 0.02 O ATOM 221 CB ALA A 174 11.394 -7.822 -9.963 -0.30 0.02 C ATOM 0 H ALA A 174 12.229 -5.843 -8.710 -0.36 0.02 H new ATOM 0 HA ALA A 174 13.469 -7.732 -10.515 1.00 0.02 H new ATOM 0 HB1 ALA A 174 11.134 -8.537 -10.744 -0.30 0.02 H new ATOM 0 HB2 ALA A 174 11.596 -8.356 -9.035 -0.30 0.02 H new ATOM 0 HB3 ALA A 174 10.564 -7.132 -9.812 -0.30 0.02 H new ATOM 227 N VAL A 175 11.246 -5.671 -11.794 -0.36 0.02 N ATOM 228 CA VAL A 175 10.859 -4.925 -12.984 1.00 0.02 C ATOM 229 C VAL A 175 9.906 -3.811 -12.584 0.48 0.02 C ATOM 230 O VAL A 175 8.785 -3.717 -13.086 -0.48 0.02 O ATOM 231 CB VAL A 175 10.180 -5.830 -14.031 -0.10 0.02 C ATOM 232 CG1 VAL A 175 9.904 -5.054 -15.309 -0.30 0.02 C ATOM 233 CG2 VAL A 175 11.036 -7.054 -14.317 -0.30 0.02 C ATOM 0 H VAL A 175 10.556 -5.641 -11.043 -0.36 0.02 H new ATOM 0 HA VAL A 175 11.762 -4.513 -13.435 1.00 0.02 H new ATOM 0 HB VAL A 175 9.227 -6.169 -13.626 -0.10 0.02 H new ATOM 0 HG11 VAL A 175 9.425 -5.709 -16.036 -0.30 0.02 H new ATOM 0 HG12 VAL A 175 9.246 -4.213 -15.089 -0.30 0.02 H new ATOM 0 HG13 VAL A 175 10.843 -4.683 -15.719 -0.30 0.02 H new ATOM 0 HG21 VAL A 175 10.539 -7.680 -15.058 -0.30 0.02 H new ATOM 0 HG22 VAL A 175 12.006 -6.738 -14.700 -0.30 0.02 H new ATOM 0 HG23 VAL A 175 11.177 -7.622 -13.398 -0.30 0.02 H new ATOM 243 N CYS A 176 10.354 -2.990 -11.643 -0.36 0.02 N ATOM 244 CA CYS A 176 9.545 -1.902 -11.125 1.00 0.02 C ATOM 245 C CYS A 176 10.083 -0.536 -11.528 0.48 0.02 C ATOM 246 O CYS A 176 11.196 -0.160 -11.162 -0.48 0.02 O ATOM 247 CB CYS A 176 9.474 -1.981 -9.595 0.20 0.02 C ATOM 248 SG CYS A 176 10.806 -2.952 -8.812 -0.20 0.02 S ATOM 0 H CYS A 176 11.281 -3.061 -11.222 -0.36 0.02 H new ATOM 0 HA CYS A 176 8.551 -2.013 -11.557 1.00 0.02 H new ATOM 0 HB2 CYS A 176 9.498 -0.968 -9.192 0.20 0.02 H new ATOM 0 HB3 CYS A 176 8.514 -2.414 -9.312 0.20 0.02 H new ATOM 253 N LYS A 177 9.261 0.221 -12.243 -0.36 0.02 N ATOM 254 CA LYS A 177 9.628 1.567 -12.646 1.00 0.02 C ATOM 255 C LYS A 177 9.278 2.525 -11.514 0.48 0.02 C ATOM 256 O LYS A 177 8.114 2.880 -11.322 -0.48 0.02 O ATOM 257 CB LYS A 177 8.904 1.968 -13.935 -0.20 0.02 C ATOM 258 CG LYS A 177 7.389 1.978 -13.811 -0.20 0.02 C ATOM 259 CD LYS A 177 6.719 1.928 -15.174 -0.20 0.02 C ATOM 260 CE LYS A 177 5.258 1.521 -15.063 0.30 5.02 C ATOM 261 NZ LYS A 177 5.107 0.064 -14.797 -0.81 0.02 N ATOM 0 H LYS A 177 8.336 -0.076 -12.554 -0.36 0.02 H new ATOM 0 HA LYS A 177 10.699 1.608 -12.847 1.00 0.02 H new ATOM 0 HB2 LYS A 177 9.241 2.960 -14.236 -0.20 0.02 H new ATOM 0 HB3 LYS A 177 9.189 1.279 -14.730 -0.20 0.02 H new ATOM 0 HG2 LYS A 177 7.066 1.125 -13.214 -0.20 0.02 H new ATOM 0 HG3 LYS A 177 7.072 2.876 -13.281 -0.20 0.02 H new ATOM 0 HD2 LYS A 177 6.790 2.905 -15.651 -0.20 0.02 H new ATOM 0 HD3 LYS A 177 7.247 1.221 -15.814 -0.20 0.02 H new ATOM 0 HE2 LYS A 177 4.783 2.088 -14.262 0.30 5.02 H new ATOM 0 HE3 LYS A 177 4.738 1.777 -15.986 0.30 5.02 H new ATOM 0 HZ1 LYS A 177 4.100 -0.192 -14.829 -0.81 0.02 H new ATOM 0 HZ2 LYS A 177 5.625 -0.476 -15.519 -0.81 0.02 H new ATOM 0 HZ3 LYS A 177 5.491 -0.159 -13.857 -0.81 0.02 H new ATOM 275 N ASN A 178 10.286 2.905 -10.741 -0.36 0.02 N ATOM 276 CA ASN A 178 10.082 3.789 -9.603 1.00 0.01 C ATOM 277 C ASN A 178 10.214 5.252 -9.995 0.48 0.02 C ATOM 278 O ASN A 178 10.741 5.583 -11.058 -0.48 0.02 O ATOM 279 CB ASN A 178 11.085 3.460 -8.500 -0.20 0.01 C ATOM 280 CG ASN A 178 10.801 4.198 -7.205 0.48 0.01 C ATOM 281 OD1 ASN A 178 11.087 5.389 -7.079 -0.48 0.01 O ATOM 282 ND2 ASN A 178 10.244 3.490 -6.230 -0.52 0.01 N ATOM 0 H ASN A 178 11.254 2.614 -10.882 -0.36 0.02 H new ATOM 0 HA ASN A 178 9.067 3.629 -9.239 1.00 0.01 H new ATOM 0 HB2 ASN A 178 11.071 2.387 -8.311 -0.20 0.01 H new ATOM 0 HB3 ASN A 178 12.089 3.710 -8.842 -0.20 0.01 H new ATOM 0 HD21 ASN A 178 10.037 3.931 -5.334 -0.52 0.01 H new ATOM 0 HD22 ASN A 178 10.023 2.505 -6.377 -0.52 0.01 H new ATOM 289 N ILE A 179 9.732 6.121 -9.119 -0.36 0.01 N ATOM 290 CA ILE A 179 9.785 7.554 -9.341 1.00 0.01 C ATOM 291 C ILE A 179 10.273 8.266 -8.080 0.48 0.01 C ATOM 292 O ILE A 179 10.364 7.653 -7.014 -0.48 0.01 O ATOM 293 CB ILE A 179 8.399 8.087 -9.754 -0.10 0.01 C ATOM 294 CG1 ILE A 179 7.350 7.727 -8.698 -0.20 0.02 C ATOM 295 CG2 ILE A 179 8.011 7.517 -11.111 -0.30 0.02 C ATOM 296 CD1 ILE A 179 5.923 7.933 -9.164 -0.30 5.62 C ATOM 0 H ILE A 179 9.295 5.852 -8.238 -0.36 0.01 H new ATOM 0 HA ILE A 179 10.487 7.754 -10.150 1.00 0.01 H new ATOM 0 HB ILE A 179 8.445 9.173 -9.829 -0.10 0.01 H new ATOM 0 HG12 ILE A 179 7.482 6.684 -8.408 -0.20 0.02 H new ATOM 0 HG13 ILE A 179 7.523 8.330 -7.806 -0.20 0.02 H new ATOM 0 HG21 ILE A 179 7.031 7.897 -11.398 -0.30 0.02 H new ATOM 0 HG22 ILE A 179 8.749 7.816 -11.856 -0.30 0.02 H new ATOM 0 HG23 ILE A 179 7.976 6.429 -11.052 -0.30 0.02 H new ATOM 0 HD11 ILE A 179 5.236 7.658 -8.364 -0.30 5.62 H new ATOM 0 HD12 ILE A 179 5.774 8.980 -9.426 -0.30 5.62 H new ATOM 0 HD13 ILE A 179 5.732 7.309 -10.037 -0.30 5.62 H new ATOM 308 N PRO A 180 10.619 9.565 -8.180 -0.36 0.01 N ATOM 309 CA PRO A 180 11.115 10.353 -7.051 1.00 0.01 C ATOM 310 C PRO A 180 10.417 10.036 -5.729 0.48 0.01 C ATOM 311 O PRO A 180 11.011 10.172 -4.660 -0.48 0.02 O ATOM 312 CB PRO A 180 10.839 11.807 -7.473 -0.20 0.01 C ATOM 313 CG PRO A 180 10.258 11.741 -8.856 -0.20 0.02 C ATOM 314 CD PRO A 180 10.584 10.379 -9.396 0.06 0.01 C ATOM 0 HA PRO A 180 12.166 10.139 -6.856 1.00 0.01 H new ATOM 0 HB2 PRO A 180 10.146 12.287 -6.783 -0.20 0.01 H new ATOM 0 HB3 PRO A 180 11.757 12.395 -7.464 -0.20 0.01 H new ATOM 0 HG2 PRO A 180 9.180 11.899 -8.831 -0.20 0.02 H new ATOM 0 HG3 PRO A 180 10.680 12.520 -9.491 -0.20 0.02 H new ATOM 0 HD2 PRO A 180 9.829 10.028 -10.099 0.06 0.01 H new ATOM 0 HD3 PRO A 180 11.539 10.367 -9.922 0.06 0.01 H new ATOM 322 N GLY A 181 9.159 9.618 -5.803 -0.36 0.02 N ATOM 323 CA GLY A 181 8.420 9.297 -4.591 -0.10 0.02 C ATOM 324 C GLY A 181 7.238 8.374 -4.833 0.48 0.02 C ATOM 325 O GLY A 181 6.104 8.705 -4.489 -0.48 0.02 O ATOM 0 H GLY A 181 8.639 9.495 -6.672 -0.36 0.02 H new ATOM 0 HA2 GLY A 181 9.096 8.830 -3.875 -0.10 0.02 H new ATOM 0 HA3 GLY A 181 8.063 10.221 -4.136 -0.10 0.02 H new ATOM 329 N ASP A 182 7.508 7.211 -5.417 -0.36 0.02 N ATOM 330 CA ASP A 182 6.472 6.225 -5.699 1.00 0.02 C ATOM 331 C ASP A 182 7.071 5.070 -6.484 0.48 0.02 C ATOM 332 O ASP A 182 8.260 5.084 -6.800 -0.48 0.02 O ATOM 333 CB ASP A 182 5.313 6.855 -6.475 -0.45 0.02 C ATOM 334 CG ASP A 182 4.003 6.785 -5.715 0.49 0.02 C ATOM 335 OD1 ASP A 182 3.859 5.884 -4.861 -0.62 0.02 O ATOM 336 OD2 ASP A 182 3.120 7.630 -5.974 -0.62 0.02 O ATOM 0 H ASP A 182 8.444 6.927 -5.706 -0.36 0.02 H new ATOM 0 HA ASP A 182 6.076 5.852 -4.754 1.00 0.02 H new ATOM 0 HB2 ASP A 182 5.549 7.897 -6.692 -0.45 0.02 H new ATOM 0 HB3 ASP A 182 5.202 6.347 -7.433 -0.45 0.02 H new ATOM 341 N PHE A 183 6.263 4.065 -6.790 -0.36 0.02 N ATOM 342 CA PHE A 183 6.769 2.917 -7.529 1.00 0.02 C ATOM 343 C PHE A 183 5.683 2.172 -8.297 0.48 0.02 C ATOM 344 O PHE A 183 4.509 2.175 -7.928 -0.48 0.02 O ATOM 345 CB PHE A 183 7.498 1.953 -6.570 -0.16 0.02 C ATOM 346 CG PHE A 183 6.753 0.674 -6.239 0.03 0.02 C ATOM 347 CD1 PHE A 183 5.413 0.696 -5.867 -0.16 0.02 C ATOM 348 CD2 PHE A 183 7.403 -0.554 -6.298 -0.16 0.02 C ATOM 349 CE1 PHE A 183 4.741 -0.481 -5.564 -0.15 0.02 C ATOM 350 CE2 PHE A 183 6.732 -1.726 -5.995 -0.15 0.02 C ATOM 351 CZ PHE A 183 5.404 -1.688 -5.629 -0.15 0.02 C ATOM 0 H PHE A 183 5.274 4.020 -6.544 -0.36 0.02 H new ATOM 0 HA PHE A 183 7.467 3.303 -8.272 1.00 0.02 H new ATOM 0 HB2 PHE A 183 8.460 1.689 -7.010 -0.16 0.02 H new ATOM 0 HB3 PHE A 183 7.707 2.482 -5.640 -0.16 0.02 H new ATOM 0 HD1 PHE A 183 4.889 1.639 -5.813 -0.16 0.02 H new ATOM 0 HD2 PHE A 183 8.444 -0.594 -6.584 -0.16 0.02 H new ATOM 0 HE1 PHE A 183 3.700 -0.451 -5.278 -0.15 0.02 H new ATOM 0 HE2 PHE A 183 7.250 -2.672 -6.046 -0.15 0.02 H new ATOM 0 HZ PHE A 183 4.883 -2.604 -5.393 -0.15 0.02 H new ATOM 361 N GLU A 184 6.123 1.496 -9.348 -0.36 0.02 N ATOM 362 CA GLU A 184 5.257 0.678 -10.178 1.00 0.02 C ATOM 363 C GLU A 184 5.992 -0.619 -10.464 0.48 0.02 C ATOM 364 O GLU A 184 7.163 -0.596 -10.827 -0.48 0.02 O ATOM 365 CB GLU A 184 4.893 1.402 -11.470 -0.20 0.02 C ATOM 366 CG GLU A 184 3.911 2.540 -11.256 -0.45 0.02 C ATOM 367 CD GLU A 184 4.272 3.782 -12.047 0.49 0.02 C ATOM 368 OE1 GLU A 184 5.461 4.162 -12.046 -0.62 0.02 O ATOM 369 OE2 GLU A 184 3.364 4.375 -12.667 -0.62 0.02 O ATOM 0 H GLU A 184 7.098 1.501 -9.649 -0.36 0.02 H new ATOM 0 HA GLU A 184 4.319 0.473 -9.661 1.00 0.02 H new ATOM 0 HB2 GLU A 184 5.801 1.794 -11.928 -0.20 0.02 H new ATOM 0 HB3 GLU A 184 4.465 0.687 -12.172 -0.20 0.02 H new ATOM 0 HG2 GLU A 184 2.912 2.211 -11.541 -0.45 0.02 H new ATOM 0 HG3 GLU A 184 3.874 2.788 -10.195 -0.45 0.02 H new ATOM 376 N CYS A 185 5.337 -1.748 -10.246 -0.36 0.02 N ATOM 377 CA CYS A 185 5.993 -3.034 -10.435 1.00 0.02 C ATOM 378 C CYS A 185 5.279 -3.928 -11.432 0.48 0.02 C ATOM 379 O CYS A 185 4.127 -3.694 -11.798 -0.48 0.02 O ATOM 380 CB CYS A 185 6.088 -3.755 -9.095 0.20 0.02 C ATOM 381 SG CYS A 185 7.518 -4.867 -8.950 -0.20 0.02 S ATOM 0 H CYS A 185 4.365 -1.802 -9.942 -0.36 0.02 H new ATOM 0 HA CYS A 185 6.983 -2.828 -10.841 1.00 0.02 H new ATOM 0 HB2 CYS A 185 6.136 -3.013 -8.298 0.20 0.02 H new ATOM 0 HB3 CYS A 185 5.176 -4.331 -8.939 0.20 0.02 H new ATOM 386 N GLU A 186 5.983 -4.977 -11.840 -0.36 0.02 N ATOM 387 CA GLU A 186 5.449 -5.957 -12.770 1.00 0.02 C ATOM 388 C GLU A 186 4.603 -6.983 -12.023 0.48 0.02 C ATOM 389 O GLU A 186 4.003 -7.870 -12.630 -0.48 0.02 O ATOM 390 CB GLU A 186 6.590 -6.664 -13.497 -0.20 0.02 C ATOM 391 CG GLU A 186 6.122 -7.624 -14.578 -0.45 0.02 C ATOM 392 CD GLU A 186 6.271 -9.078 -14.172 0.49 0.02 C ATOM 393 OE1 GLU A 186 7.264 -9.405 -13.489 -0.62 0.02 O ATOM 394 OE2 GLU A 186 5.394 -9.889 -14.538 -0.62 0.02 O ATOM 0 H GLU A 186 6.937 -5.169 -11.535 -0.36 0.02 H new ATOM 0 HA GLU A 186 4.824 -5.442 -13.499 1.00 0.02 H new ATOM 0 HB2 GLU A 186 7.243 -5.915 -13.946 -0.20 0.02 H new ATOM 0 HB3 GLU A 186 7.188 -7.213 -12.770 -0.20 0.02 H new ATOM 0 HG2 GLU A 186 5.077 -7.421 -14.811 -0.45 0.02 H new ATOM 0 HG3 GLU A 186 6.692 -7.445 -15.489 -0.45 0.02 H new ATOM 401 N CYS A 187 4.558 -6.853 -10.697 -0.36 0.02 N ATOM 402 CA CYS A 187 3.786 -7.764 -9.868 1.00 0.02 C ATOM 403 C CYS A 187 2.298 -7.572 -10.137 0.48 0.02 C ATOM 404 O CYS A 187 1.908 -6.599 -10.776 -0.48 0.02 O ATOM 405 CB CYS A 187 4.103 -7.540 -8.386 0.20 0.02 C ATOM 406 SG CYS A 187 5.291 -8.726 -7.656 -0.20 0.02 S ATOM 0 H CYS A 187 5.049 -6.124 -10.179 -0.36 0.02 H new ATOM 0 HA CYS A 187 4.058 -8.789 -10.120 1.00 0.02 H new ATOM 0 HB2 CYS A 187 4.499 -6.532 -8.264 0.20 0.02 H new ATOM 0 HB3 CYS A 187 3.172 -7.588 -7.820 0.20 0.02 H new ATOM 411 N PRO A 188 1.456 -8.524 -9.698 -0.36 0.02 N ATOM 412 CA PRO A 188 0.005 -8.485 -9.931 1.00 0.02 C ATOM 413 C PRO A 188 -0.689 -7.196 -9.479 0.48 0.02 C ATOM 414 O PRO A 188 -1.653 -7.246 -8.715 -0.48 0.02 O ATOM 415 CB PRO A 188 -0.520 -9.672 -9.119 -0.20 0.02 C ATOM 416 CG PRO A 188 0.631 -10.607 -9.019 -0.20 0.02 C ATOM 417 CD PRO A 188 1.863 -9.749 -8.982 0.06 0.02 C ATOM 0 HA PRO A 188 -0.203 -8.528 -11.000 1.00 0.02 H new ATOM 0 HB2 PRO A 188 -0.859 -9.356 -8.132 -0.20 0.02 H new ATOM 0 HB3 PRO A 188 -1.370 -10.143 -9.613 -0.20 0.02 H new ATOM 0 HG2 PRO A 188 0.557 -11.221 -8.122 -0.20 0.02 H new ATOM 0 HG3 PRO A 188 0.655 -11.287 -9.870 -0.20 0.02 H new ATOM 0 HD2 PRO A 188 2.170 -9.532 -7.959 0.06 0.02 H new ATOM 0 HD3 PRO A 188 2.706 -10.237 -9.471 0.06 0.02 H new ATOM 425 N GLU A 189 -0.234 -6.045 -9.979 -0.36 0.02 N ATOM 426 CA GLU A 189 -0.858 -4.760 -9.647 1.00 0.02 C ATOM 427 C GLU A 189 -0.689 -4.410 -8.205 0.48 0.02 C ATOM 428 O GLU A 189 -1.415 -4.905 -7.342 -0.48 0.02 O ATOM 429 CB GLU A 189 -2.337 -4.798 -9.937 -0.20 0.02 C ATOM 430 CG GLU A 189 -2.669 -5.831 -10.963 -0.45 0.02 C ATOM 431 CD GLU A 189 -3.862 -5.465 -11.824 0.49 0.02 C ATOM 432 OE1 GLU A 189 -4.988 -5.407 -11.285 -0.62 0.02 O ATOM 433 OE2 GLU A 189 -3.671 -5.236 -13.036 -0.62 0.02 O ATOM 0 H GLU A 189 0.562 -5.975 -10.613 -0.36 0.02 H new ATOM 0 HA GLU A 189 -0.361 -4.010 -10.262 1.00 0.02 H new ATOM 0 HB2 GLU A 189 -2.883 -5.009 -9.018 -0.20 0.02 H new ATOM 0 HB3 GLU A 189 -2.665 -3.819 -10.286 -0.20 0.02 H new ATOM 0 HG2 GLU A 189 -1.802 -5.987 -11.605 -0.45 0.02 H new ATOM 0 HG3 GLU A 189 -2.869 -6.778 -10.462 -0.45 0.02 H new ATOM 440 N GLY A 190 0.262 -3.564 -7.941 -0.36 0.02 N ATOM 441 CA GLY A 190 0.503 -3.164 -6.590 -0.10 0.02 C ATOM 442 C GLY A 190 1.176 -4.251 -5.801 0.48 0.02 C ATOM 443 O GLY A 190 1.815 -3.971 -4.801 -0.48 0.02 O ATOM 0 H GLY A 190 0.877 -3.142 -8.637 -0.36 0.02 H new ATOM 0 HA2 GLY A 190 1.125 -2.269 -6.581 -0.10 0.02 H new ATOM 0 HA3 GLY A 190 -0.442 -2.900 -6.114 -0.10 0.02 H new ATOM 447 N TYR A 191 1.068 -5.505 -6.242 -0.36 0.02 N ATOM 448 CA TYR A 191 1.717 -6.574 -5.511 1.00 0.02 C ATOM 449 C TYR A 191 3.203 -6.293 -5.396 0.48 0.02 C ATOM 450 O TYR A 191 3.851 -5.864 -6.348 -0.48 0.02 O ATOM 451 CB TYR A 191 1.474 -7.926 -6.185 -0.20 0.02 C ATOM 452 CG TYR A 191 0.160 -8.574 -5.816 1.00 0.02 C ATOM 453 CD1 TYR A 191 -1.048 -7.976 -6.150 -0.14 0.02 C ATOM 454 CD2 TYR A 191 0.127 -9.790 -5.145 -0.14 0.02 C ATOM 455 CE1 TYR A 191 -2.252 -8.570 -5.824 -0.14 0.02 C ATOM 456 CE2 TYR A 191 -1.073 -10.391 -4.816 -0.14 0.02 C ATOM 457 CZ TYR A 191 -2.259 -9.777 -5.158 0.20 0.02 C ATOM 458 OH TYR A 191 -3.457 -10.372 -4.832 -0.60 0.02 O ATOM 0 H TYR A 191 0.553 -5.792 -7.075 -0.36 0.02 H new ATOM 0 HA TYR A 191 1.288 -6.620 -4.510 1.00 0.02 H new ATOM 0 HB2 TYR A 191 1.509 -7.792 -7.266 -0.20 0.02 H new ATOM 0 HB3 TYR A 191 2.287 -8.602 -5.921 -0.20 0.02 H new ATOM 0 HD1 TYR A 191 -1.046 -7.031 -6.673 -0.14 0.02 H new ATOM 0 HD2 TYR A 191 1.054 -10.274 -4.876 -0.14 0.02 H new ATOM 0 HE1 TYR A 191 -3.183 -8.091 -6.090 -0.14 0.02 H new ATOM 0 HE2 TYR A 191 -1.082 -11.336 -4.294 -0.14 0.02 H new ATOM 0 HH TYR A 191 -4.197 -9.795 -5.115 -0.60 0.02 H new ATOM 468 N ARG A 192 3.719 -6.510 -4.207 -0.36 0.02 N ATOM 469 CA ARG A 192 5.132 -6.262 -3.923 1.00 0.02 C ATOM 470 C ARG A 192 5.961 -7.516 -4.188 0.48 0.02 C ATOM 471 O ARG A 192 5.519 -8.628 -3.935 -0.48 0.02 O ATOM 472 CB ARG A 192 5.312 -5.814 -2.471 -0.20 0.02 C ATOM 473 CG ARG A 192 5.405 -4.305 -2.308 -0.20 0.02 C ATOM 474 CD ARG A 192 5.594 -3.909 -0.852 -0.10 0.02 C ATOM 475 NE ARG A 192 6.631 -4.704 -0.197 -0.60 0.02 N ATOM 476 CZ ARG A 192 6.403 -5.857 0.432 0.60 0.02 C ATOM 477 NH1 ARG A 192 5.176 -6.362 0.490 -0.60 0.02 N ATOM 478 NH2 ARG A 192 7.407 -6.507 1.005 -0.60 0.02 N ATOM 0 H ARG A 192 3.185 -6.860 -3.411 -0.36 0.02 H new ATOM 0 HA ARG A 192 5.479 -5.468 -4.584 1.00 0.02 H new ATOM 0 HB2 ARG A 192 4.475 -6.184 -1.879 -0.20 0.02 H new ATOM 0 HB3 ARG A 192 6.215 -6.271 -2.068 -0.20 0.02 H new ATOM 0 HG2 ARG A 192 6.238 -3.925 -2.900 -0.20 0.02 H new ATOM 0 HG3 ARG A 192 4.499 -3.840 -2.697 -0.20 0.02 H new ATOM 0 HD2 ARG A 192 5.857 -2.853 -0.795 -0.10 0.02 H new ATOM 0 HD3 ARG A 192 4.652 -4.032 -0.318 -0.10 0.02 H new ATOM 0 HE ARG A 192 7.589 -4.355 -0.223 -0.60 0.02 H new ATOM 0 HH11 ARG A 192 4.400 -5.867 0.051 -0.60 0.02 H new ATOM 0 HH12 ARG A 192 5.010 -7.245 0.973 -0.60 0.02 H new ATOM 0 HH21 ARG A 192 8.352 -6.125 0.964 -0.60 0.02 H new ATOM 0 HH22 ARG A 192 7.234 -7.389 1.487 -0.60 0.02 H new ATOM 492 N TYR A 193 7.152 -7.317 -4.738 -0.36 0.02 N ATOM 493 CA TYR A 193 8.040 -8.412 -5.093 1.00 0.02 C ATOM 494 C TYR A 193 9.213 -8.547 -4.128 0.48 0.02 C ATOM 495 O TYR A 193 9.589 -7.597 -3.442 -0.48 0.02 O ATOM 496 CB TYR A 193 8.564 -8.168 -6.503 -0.20 0.02 C ATOM 497 CG TYR A 193 9.274 -9.344 -7.107 1.00 0.02 C ATOM 498 CD1 TYR A 193 8.574 -10.296 -7.823 -0.14 0.02 C ATOM 499 CD2 TYR A 193 10.643 -9.488 -6.976 -0.14 0.02 C ATOM 500 CE1 TYR A 193 9.218 -11.371 -8.397 -0.14 0.02 C ATOM 501 CE2 TYR A 193 11.303 -10.557 -7.550 -0.14 0.02 C ATOM 502 CZ TYR A 193 10.585 -11.497 -8.260 0.20 0.02 C ATOM 503 OH TYR A 193 11.237 -12.558 -8.844 -0.60 0.02 O ATOM 0 H TYR A 193 7.528 -6.393 -4.950 -0.36 0.02 H new ATOM 0 HA TYR A 193 7.474 -9.342 -5.039 1.00 0.02 H new ATOM 0 HB2 TYR A 193 7.728 -7.892 -7.147 -0.20 0.02 H new ATOM 0 HB3 TYR A 193 9.245 -7.317 -6.483 -0.20 0.02 H new ATOM 0 HD1 TYR A 193 7.504 -10.196 -7.935 -0.14 0.02 H new ATOM 0 HD2 TYR A 193 11.204 -8.754 -6.417 -0.14 0.02 H new ATOM 0 HE1 TYR A 193 8.656 -12.109 -8.950 -0.14 0.02 H new ATOM 0 HE2 TYR A 193 12.373 -10.656 -7.444 -0.14 0.02 H new ATOM 0 HH TYR A 193 11.782 -12.236 -9.592 -0.60 0.02 H new ATOM 513 N ASN A 194 9.784 -9.746 -4.091 -0.36 0.02 N ATOM 514 CA ASN A 194 10.919 -10.035 -3.224 1.00 0.02 C ATOM 515 C ASN A 194 12.022 -10.752 -3.998 0.48 0.02 C ATOM 516 O ASN A 194 11.777 -11.782 -4.633 -0.48 0.02 O ATOM 517 CB ASN A 194 10.471 -10.894 -2.041 -0.20 0.02 C ATOM 518 CG ASN A 194 10.664 -10.195 -0.710 0.48 0.02 C ATOM 519 OD1 ASN A 194 9.751 -10.140 0.114 -0.48 0.02 O ATOM 520 ND2 ASN A 194 11.858 -9.656 -0.492 -0.52 0.02 N ATOM 0 H ASN A 194 9.476 -10.538 -4.656 -0.36 0.02 H new ATOM 0 HA ASN A 194 11.315 -9.090 -2.852 1.00 0.02 H new ATOM 0 HB2 ASN A 194 9.419 -11.153 -2.162 -0.20 0.02 H new ATOM 0 HB3 ASN A 194 11.032 -11.829 -2.042 -0.20 0.02 H new ATOM 0 HD21 ASN A 194 12.047 -9.173 0.386 -0.52 0.02 H new ATOM 0 HD22 ASN A 194 12.586 -9.725 -1.203 -0.52 0.02 H new ATOM 527 N LEU A 195 13.235 -10.206 -3.938 -0.36 0.02 N ATOM 528 CA LEU A 195 14.378 -10.796 -4.628 1.00 0.02 C ATOM 529 C LEU A 195 14.922 -11.999 -3.858 0.48 0.02 C ATOM 530 O LEU A 195 15.742 -12.759 -4.371 -0.48 0.02 O ATOM 531 CB LEU A 195 15.479 -9.747 -4.807 -0.20 0.02 C ATOM 532 CG LEU A 195 16.757 -10.249 -5.488 -0.10 0.02 C ATOM 533 CD1 LEU A 195 17.025 -9.471 -6.768 -0.30 0.02 C ATOM 534 CD2 LEU A 195 17.945 -10.143 -4.542 -0.30 0.02 C ATOM 0 H LEU A 195 13.451 -9.355 -3.418 -0.36 0.02 H new ATOM 0 HA LEU A 195 14.045 -11.140 -5.607 1.00 0.02 H new ATOM 0 HB2 LEU A 195 15.077 -8.919 -5.391 -0.20 0.02 H new ATOM 0 HB3 LEU A 195 15.742 -9.349 -3.827 -0.20 0.02 H new ATOM 0 HG LEU A 195 16.615 -11.298 -5.747 -0.10 0.02 H new ATOM 0 HD11 LEU A 195 17.937 -9.843 -7.236 -0.30 0.02 H new ATOM 0 HD12 LEU A 195 16.187 -9.599 -7.454 -0.30 0.02 H new ATOM 0 HD13 LEU A 195 17.143 -8.413 -6.533 -0.30 0.02 H new ATOM 0 HD21 LEU A 195 18.843 -10.504 -5.044 -0.30 0.02 H new ATOM 0 HD22 LEU A 195 18.086 -9.102 -4.250 -0.30 0.02 H new ATOM 0 HD23 LEU A 195 17.758 -10.747 -3.654 -0.30 0.02 H new ATOM 546 N LYS A 196 14.463 -12.168 -2.622 -0.36 0.02 N ATOM 547 CA LYS A 196 14.903 -13.276 -1.790 1.00 0.02 C ATOM 548 C LYS A 196 14.571 -14.594 -2.459 0.48 0.02 C ATOM 549 O LYS A 196 15.412 -15.486 -2.565 -0.48 0.02 O ATOM 550 CB LYS A 196 14.224 -13.210 -0.424 -0.20 0.02 C ATOM 551 CG LYS A 196 14.980 -12.367 0.581 -0.20 0.02 C ATOM 552 CD LYS A 196 14.450 -10.944 0.629 -0.20 0.02 C ATOM 553 CE LYS A 196 15.014 -10.179 1.815 0.30 5.02 C ATOM 554 NZ LYS A 196 16.432 -9.779 1.594 -0.81 0.02 N ATOM 0 H LYS A 196 13.786 -11.549 -2.176 -0.36 0.02 H new ATOM 0 HA LYS A 196 15.982 -13.204 -1.657 1.00 0.02 H new ATOM 0 HB2 LYS A 196 13.219 -12.805 -0.545 -0.20 0.02 H new ATOM 0 HB3 LYS A 196 14.115 -14.221 -0.031 -0.20 0.02 H new ATOM 0 HG2 LYS A 196 14.900 -12.819 1.570 -0.20 0.02 H new ATOM 0 HG3 LYS A 196 16.039 -12.353 0.322 -0.20 0.02 H new ATOM 0 HD2 LYS A 196 14.709 -10.427 -0.295 -0.20 0.02 H new ATOM 0 HD3 LYS A 196 13.362 -10.962 0.690 -0.20 0.02 H new ATOM 0 HE2 LYS A 196 14.410 -9.290 1.994 0.30 5.02 H new ATOM 0 HE3 LYS A 196 14.946 -10.796 2.711 0.30 5.02 H new ATOM 0 HZ1 LYS A 196 16.780 -9.260 2.425 -0.81 0.02 H new ATOM 0 HZ2 LYS A 196 17.014 -10.629 1.448 -0.81 0.02 H new ATOM 0 HZ3 LYS A 196 16.494 -9.169 0.754 -0.81 0.02 H new ATOM 568 N SER A 197 13.330 -14.705 -2.908 -0.36 0.02 N ATOM 569 CA SER A 197 12.868 -15.913 -3.571 1.00 0.02 C ATOM 570 C SER A 197 12.469 -15.649 -5.017 0.48 0.02 C ATOM 571 O SER A 197 12.072 -16.568 -5.734 -0.48 0.02 O ATOM 572 CB SER A 197 11.691 -16.523 -2.807 0.08 0.02 C ATOM 573 OG SER A 197 12.116 -17.078 -1.574 -0.68 0.02 O ATOM 0 H SER A 197 12.625 -13.972 -2.825 -0.36 0.02 H new ATOM 0 HA SER A 197 13.699 -16.619 -3.578 1.00 0.02 H new ATOM 0 HB2 SER A 197 10.936 -15.758 -2.624 0.08 0.02 H new ATOM 0 HB3 SER A 197 11.221 -17.296 -3.414 0.08 0.02 H new ATOM 0 HG SER A 197 11.345 -17.460 -1.104 -0.68 0.02 H new ATOM 579 N LYS A 198 12.554 -14.395 -5.440 -0.36 0.02 N ATOM 580 CA LYS A 198 12.180 -14.020 -6.783 1.00 0.02 C ATOM 581 C LYS A 198 10.784 -14.482 -7.099 0.48 0.02 C ATOM 582 O LYS A 198 10.544 -15.294 -7.992 -0.48 0.02 O ATOM 583 CB LYS A 198 13.181 -14.528 -7.794 -0.20 0.02 C ATOM 584 CG LYS A 198 14.157 -13.441 -8.127 -0.20 0.02 C ATOM 585 CD LYS A 198 15.061 -13.162 -6.948 -0.20 0.02 C ATOM 586 CE LYS A 198 16.220 -14.143 -6.885 0.30 5.02 C ATOM 587 NZ LYS A 198 17.216 -13.895 -7.964 -0.81 0.02 N ATOM 0 H LYS A 198 12.882 -13.621 -4.863 -0.36 0.02 H new ATOM 0 HA LYS A 198 12.188 -12.932 -6.844 1.00 0.02 H new ATOM 0 HB2 LYS A 198 13.709 -15.394 -7.394 -0.20 0.02 H new ATOM 0 HB3 LYS A 198 12.666 -14.857 -8.697 -0.20 0.02 H new ATOM 0 HG2 LYS A 198 14.755 -13.733 -8.990 -0.20 0.02 H new ATOM 0 HG3 LYS A 198 13.620 -12.534 -8.404 -0.20 0.02 H new ATOM 0 HD2 LYS A 198 15.448 -12.145 -7.018 -0.20 0.02 H new ATOM 0 HD3 LYS A 198 14.484 -13.220 -6.025 -0.20 0.02 H new ATOM 0 HE2 LYS A 198 16.709 -14.065 -5.914 0.30 5.02 H new ATOM 0 HE3 LYS A 198 15.839 -15.161 -6.969 0.30 5.02 H new ATOM 0 HZ1 LYS A 198 18.104 -14.387 -7.737 -0.81 0.02 H new ATOM 0 HZ2 LYS A 198 16.845 -14.251 -8.868 -0.81 0.02 H new ATOM 0 HZ3 LYS A 198 17.396 -12.874 -8.042 -0.81 0.02 H new ATOM 601 N SER A 199 9.875 -13.926 -6.337 -0.36 0.02 N ATOM 602 CA SER A 199 8.455 -14.221 -6.474 1.00 0.02 C ATOM 603 C SER A 199 7.618 -12.999 -6.123 0.48 0.02 C ATOM 604 O SER A 199 8.091 -12.092 -5.438 -0.48 0.02 O ATOM 605 CB SER A 199 8.066 -15.397 -5.575 0.08 0.02 C ATOM 606 OG SER A 199 8.933 -15.494 -4.459 -0.68 0.02 O ATOM 0 H SER A 199 10.091 -13.254 -5.601 -0.36 0.02 H new ATOM 0 HA SER A 199 8.261 -14.491 -7.512 1.00 0.02 H new ATOM 0 HB2 SER A 199 7.039 -15.272 -5.232 0.08 0.02 H new ATOM 0 HB3 SER A 199 8.100 -16.324 -6.148 0.08 0.02 H new ATOM 0 HG SER A 199 8.662 -16.252 -3.899 -0.68 0.02 H new ATOM 612 N CYS A 200 6.371 -12.980 -6.580 -0.36 0.02 N ATOM 613 CA CYS A 200 5.480 -11.867 -6.290 1.00 0.02 C ATOM 614 C CYS A 200 4.736 -12.125 -4.985 0.48 0.02 C ATOM 615 O CYS A 200 4.317 -13.251 -4.713 -0.48 0.02 O ATOM 616 CB CYS A 200 4.485 -11.656 -7.432 0.20 0.02 C ATOM 617 SG CYS A 200 5.037 -10.459 -8.691 -0.20 0.02 S ATOM 0 H CYS A 200 5.958 -13.719 -7.149 -0.36 0.02 H new ATOM 0 HA CYS A 200 6.078 -10.962 -6.188 1.00 0.02 H new ATOM 0 HB2 CYS A 200 4.296 -12.614 -7.916 0.20 0.02 H new ATOM 0 HB3 CYS A 200 3.537 -11.317 -7.015 0.20 0.02 H new ATOM 622 N GLU A 201 4.583 -11.087 -4.175 -0.36 0.02 N ATOM 623 CA GLU A 201 3.901 -11.217 -2.894 1.00 0.02 C ATOM 624 C GLU A 201 3.132 -9.949 -2.525 0.48 0.02 C ATOM 625 O GLU A 201 3.723 -8.887 -2.341 -0.48 0.02 O ATOM 626 CB GLU A 201 4.910 -11.553 -1.793 -0.20 0.02 C ATOM 627 CG GLU A 201 4.922 -13.023 -1.407 -0.45 0.02 C ATOM 628 CD GLU A 201 5.060 -13.233 0.088 0.49 0.02 C ATOM 629 OE1 GLU A 201 4.558 -12.384 0.855 -0.62 0.02 O ATOM 630 OE2 GLU A 201 5.671 -14.245 0.492 -0.62 0.02 O ATOM 0 H GLU A 201 4.921 -10.147 -4.381 -0.36 0.02 H new ATOM 0 HA GLU A 201 3.178 -12.027 -2.988 1.00 0.02 H new ATOM 0 HB2 GLU A 201 5.907 -11.265 -2.125 -0.20 0.02 H new ATOM 0 HB3 GLU A 201 4.684 -10.956 -0.910 -0.20 0.02 H new ATOM 0 HG2 GLU A 201 4.001 -13.493 -1.753 -0.45 0.02 H new ATOM 0 HG3 GLU A 201 5.746 -13.522 -1.918 -0.45 0.02 H new ATOM 637 N ASP A 202 1.810 -10.094 -2.423 -0.36 0.02 N ATOM 638 CA ASP A 202 0.893 -9.009 -2.072 1.00 0.02 C ATOM 639 C ASP A 202 1.594 -7.843 -1.383 0.48 0.02 C ATOM 640 O ASP A 202 2.514 -8.020 -0.585 -0.48 0.02 O ATOM 641 CB ASP A 202 -0.223 -9.536 -1.169 -0.45 0.02 C ATOM 642 CG ASP A 202 -1.159 -8.435 -0.710 0.49 0.02 C ATOM 643 OD1 ASP A 202 -1.659 -7.686 -1.575 -0.62 0.02 O ATOM 644 OD2 ASP A 202 -1.390 -8.320 0.512 -0.62 0.02 O ATOM 0 H ASP A 202 1.339 -10.984 -2.585 -0.36 0.02 H new ATOM 0 HA ASP A 202 0.477 -8.634 -3.007 1.00 0.02 H new ATOM 0 HB2 ASP A 202 -0.793 -10.295 -1.705 -0.45 0.02 H new ATOM 0 HB3 ASP A 202 0.216 -10.023 -0.298 -0.45 0.02 H new ATOM 649 N ILE A 203 1.131 -6.655 -1.715 -0.36 0.02 N ATOM 650 CA ILE A 203 1.671 -5.423 -1.176 1.00 0.02 C ATOM 651 C ILE A 203 1.143 -5.128 0.230 0.48 0.02 C ATOM 652 O ILE A 203 0.163 -5.728 0.686 -0.48 0.02 O ATOM 653 CB ILE A 203 1.348 -4.265 -2.125 -0.10 0.02 C ATOM 654 CG1 ILE A 203 2.147 -3.013 -1.781 -0.20 0.02 C ATOM 655 CG2 ILE A 203 -0.134 -3.977 -2.117 -0.30 0.02 C ATOM 656 CD1 ILE A 203 2.367 -2.123 -2.980 -0.30 0.02 C ATOM 0 H ILE A 203 0.363 -6.516 -2.372 -0.36 0.02 H new ATOM 0 HA ILE A 203 2.752 -5.538 -1.091 1.00 0.02 H new ATOM 0 HB ILE A 203 1.640 -4.568 -3.131 -0.10 0.02 H new ATOM 0 HG12 ILE A 203 1.623 -2.452 -1.007 -0.20 0.02 H new ATOM 0 HG13 ILE A 203 3.112 -3.304 -1.366 -0.20 0.02 H new ATOM 0 HG21 ILE A 203 -0.348 -3.152 -2.796 -0.30 0.02 H new ATOM 0 HG22 ILE A 203 -0.679 -4.864 -2.441 -0.30 0.02 H new ATOM 0 HG23 ILE A 203 -0.447 -3.707 -1.108 -0.30 0.02 H new ATOM 0 HD11 ILE A 203 2.941 -1.246 -2.681 -0.30 0.02 H new ATOM 0 HD12 ILE A 203 2.916 -2.672 -3.745 -0.30 0.02 H new ATOM 0 HD13 ILE A 203 1.404 -1.807 -3.381 -0.30 0.02 H new ATOM 668 N ASP A 204 1.803 -4.178 0.888 -0.36 0.02 N ATOM 669 CA ASP A 204 1.438 -3.752 2.232 1.00 0.02 C ATOM 670 C ASP A 204 0.785 -2.371 2.203 0.48 0.02 C ATOM 671 O ASP A 204 1.274 -1.425 2.821 -0.48 0.02 O ATOM 672 CB ASP A 204 2.678 -3.736 3.130 -0.45 0.02 C ATOM 673 CG ASP A 204 2.724 -4.922 4.073 0.49 0.02 C ATOM 674 OD1 ASP A 204 1.655 -5.316 4.584 -0.62 0.02 O ATOM 675 OD2 ASP A 204 3.830 -5.456 4.301 -0.62 0.02 O ATOM 0 H ASP A 204 2.607 -3.683 0.502 -0.36 0.02 H new ATOM 0 HA ASP A 204 0.716 -4.461 2.637 1.00 0.02 H new ATOM 0 HB2 ASP A 204 3.573 -3.735 2.508 -0.45 0.02 H new ATOM 0 HB3 ASP A 204 2.691 -2.813 3.710 -0.45 0.02 H new ATOM 680 N GLU A 205 -0.322 -2.264 1.476 -0.36 0.02 N ATOM 681 CA GLU A 205 -1.048 -1.011 1.354 1.00 0.02 C ATOM 682 C GLU A 205 -1.430 -0.435 2.720 0.48 0.02 C ATOM 683 O GLU A 205 -1.286 0.762 2.958 -0.48 0.02 O ATOM 684 CB GLU A 205 -2.304 -1.226 0.523 -0.20 0.02 C ATOM 685 CG GLU A 205 -2.025 -1.521 -0.942 -0.45 0.02 C ATOM 686 CD GLU A 205 -2.704 -2.789 -1.428 0.49 0.02 C ATOM 687 OE1 GLU A 205 -2.558 -3.839 -0.764 -0.62 0.02 O ATOM 688 OE2 GLU A 205 -3.375 -2.733 -2.478 -0.62 0.02 O ATOM 0 H GLU A 205 -0.737 -3.039 0.959 -0.36 0.02 H new ATOM 0 HA GLU A 205 -0.390 -0.294 0.863 1.00 0.02 H new ATOM 0 HB2 GLU A 205 -2.873 -2.052 0.949 -0.20 0.02 H new ATOM 0 HB3 GLU A 205 -2.931 -0.337 0.592 -0.20 0.02 H new ATOM 0 HG2 GLU A 205 -2.362 -0.679 -1.548 -0.45 0.02 H new ATOM 0 HG3 GLU A 205 -0.949 -1.611 -1.091 -0.45 0.02 H new ATOM 695 N CYS A 206 -1.923 -1.293 3.613 -0.36 0.02 N ATOM 696 CA CYS A 206 -2.332 -0.855 4.951 1.00 0.02 C ATOM 697 C CYS A 206 -1.109 -0.630 5.842 0.48 0.02 C ATOM 698 O CYS A 206 -1.092 0.278 6.673 -0.48 0.02 O ATOM 699 CB CYS A 206 -3.298 -1.882 5.586 0.20 0.02 C ATOM 700 SG CYS A 206 -2.852 -2.434 7.275 -0.20 0.02 S ATOM 0 H CYS A 206 -2.049 -2.290 3.438 -0.36 0.02 H new ATOM 0 HA CYS A 206 -2.860 0.094 4.857 1.00 0.02 H new ATOM 0 HB2 CYS A 206 -4.297 -1.447 5.615 0.20 0.02 H new ATOM 0 HB3 CYS A 206 -3.350 -2.757 4.937 0.20 0.02 H new ATOM 705 N SER A 207 -0.096 -1.468 5.663 -0.36 0.02 N ATOM 706 CA SER A 207 1.128 -1.369 6.451 1.00 0.02 C ATOM 707 C SER A 207 1.801 -0.018 6.238 0.48 0.02 C ATOM 708 O SER A 207 2.563 0.450 7.084 -0.48 0.02 O ATOM 709 CB SER A 207 2.091 -2.500 6.088 0.08 0.02 C ATOM 710 OG SER A 207 2.575 -3.150 7.251 -0.68 0.02 O ATOM 0 H SER A 207 -0.097 -2.225 4.979 -0.36 0.02 H new ATOM 0 HA SER A 207 0.861 -1.459 7.504 1.00 0.02 H new ATOM 0 HB2 SER A 207 1.584 -3.222 5.448 0.08 0.02 H new ATOM 0 HB3 SER A 207 2.928 -2.100 5.516 0.08 0.02 H new ATOM 0 HG SER A 207 3.187 -3.870 6.992 -0.68 0.02 H new ATOM 716 N GLU A 208 1.533 0.589 5.088 -0.36 0.02 N ATOM 717 CA GLU A 208 2.127 1.871 4.736 1.00 0.02 C ATOM 718 C GLU A 208 1.436 3.028 5.451 0.48 0.02 C ATOM 719 O GLU A 208 1.955 4.144 5.485 -0.48 0.02 O ATOM 720 CB GLU A 208 2.030 2.064 3.228 -0.20 0.02 C ATOM 721 CG GLU A 208 3.137 1.369 2.463 -0.45 0.02 C ATOM 722 CD GLU A 208 3.373 1.974 1.094 0.49 0.02 C ATOM 723 OE1 GLU A 208 3.552 3.207 1.012 -0.62 0.02 O ATOM 724 OE2 GLU A 208 3.378 1.214 0.102 -0.62 0.02 O ATOM 0 H GLU A 208 0.904 0.210 4.380 -0.36 0.02 H new ATOM 0 HA GLU A 208 3.170 1.866 5.051 1.00 0.02 H new ATOM 0 HB2 GLU A 208 1.067 1.688 2.882 -0.20 0.02 H new ATOM 0 HB3 GLU A 208 2.056 3.130 3.003 -0.20 0.02 H new ATOM 0 HG2 GLU A 208 4.059 1.419 3.042 -0.45 0.02 H new ATOM 0 HG3 GLU A 208 2.888 0.314 2.351 -0.45 0.02 H new ATOM 731 N ASN A 209 0.273 2.753 6.033 -0.36 0.02 N ATOM 732 CA ASN A 209 -0.488 3.764 6.768 1.00 0.02 C ATOM 733 C ASN A 209 -1.280 4.674 5.832 0.48 0.02 C ATOM 734 O ASN A 209 -1.088 5.890 5.821 -0.48 0.02 O ATOM 735 CB ASN A 209 0.439 4.605 7.654 -0.20 0.02 C ATOM 736 CG ASN A 209 -0.250 5.088 8.915 0.48 0.02 C ATOM 737 OD1 ASN A 209 -0.417 4.334 9.873 -0.48 0.02 O ATOM 738 ND2 ASN A 209 -0.655 6.353 8.921 -0.52 0.02 N ATOM 0 H ASN A 209 -0.167 1.833 6.011 -0.36 0.02 H new ATOM 0 HA ASN A 209 -1.199 3.231 7.399 1.00 0.02 H new ATOM 0 HB2 ASN A 209 1.314 4.014 7.925 -0.20 0.02 H new ATOM 0 HB3 ASN A 209 0.798 5.464 7.087 -0.20 0.02 H new ATOM 0 HD21 ASN A 209 -1.125 6.734 9.742 -0.52 0.02 H new ATOM 0 HD22 ASN A 209 -0.496 6.943 8.104 -0.52 0.02 H new ATOM 745 N MET A 210 -2.186 4.079 5.065 -0.36 0.02 N ATOM 746 CA MET A 210 -3.029 4.839 4.145 1.00 0.02 C ATOM 747 C MET A 210 -4.489 4.638 4.480 0.48 0.02 C ATOM 748 O MET A 210 -5.371 4.906 3.664 -0.48 0.02 O ATOM 749 CB MET A 210 -2.762 4.469 2.676 -0.20 0.02 C ATOM 750 CG MET A 210 -1.764 3.336 2.477 -0.11 5.02 C ATOM 751 SD MET A 210 -0.337 3.826 1.488 -0.17 0.02 S ATOM 752 CE MET A 210 -0.828 3.234 -0.129 -0.21 5.02 C ATOM 0 H MET A 210 -2.357 3.073 5.061 -0.36 0.02 H new ATOM 0 HA MET A 210 -2.775 5.892 4.267 1.00 0.02 H new ATOM 0 HB2 MET A 210 -3.706 4.190 2.208 -0.20 0.02 H new ATOM 0 HB3 MET A 210 -2.397 5.353 2.153 -0.20 0.02 H new ATOM 0 HG2 MET A 210 -1.422 2.984 3.450 -0.11 5.02 H new ATOM 0 HG3 MET A 210 -2.265 2.498 1.993 -0.11 5.02 H new ATOM 0 HE1 MET A 210 -0.046 3.463 -0.853 -0.21 5.02 H new ATOM 0 HE2 MET A 210 -0.982 2.156 -0.090 -0.21 5.02 H new ATOM 0 HE3 MET A 210 -1.755 3.722 -0.429 -0.21 5.02 H new ATOM 762 N CYS A 211 -4.741 4.181 5.695 -0.36 0.02 N ATOM 763 CA CYS A 211 -6.096 3.966 6.141 1.00 0.02 C ATOM 764 C CYS A 211 -6.379 4.753 7.400 0.48 0.02 C ATOM 765 O CYS A 211 -5.460 5.167 8.105 -0.48 0.02 O ATOM 766 CB CYS A 211 -6.358 2.479 6.328 0.20 0.02 C ATOM 767 SG CYS A 211 -6.310 1.558 4.761 -0.20 0.02 S ATOM 0 H CYS A 211 -4.024 3.954 6.384 -0.36 0.02 H new ATOM 0 HA CYS A 211 -6.782 4.330 5.376 1.00 0.02 H new ATOM 0 HB2 CYS A 211 -5.615 2.066 7.011 0.20 0.02 H new ATOM 0 HB3 CYS A 211 -7.333 2.342 6.796 0.20 0.02 H new ATOM 772 N ALA A 212 -7.656 5.000 7.660 -0.36 0.02 N ATOM 773 CA ALA A 212 -8.034 5.786 8.813 1.00 0.02 C ATOM 774 C ALA A 212 -8.269 4.926 10.060 0.48 0.02 C ATOM 775 O ALA A 212 -7.347 4.702 10.844 -0.48 0.02 O ATOM 776 CB ALA A 212 -9.253 6.642 8.492 -0.30 0.02 C ATOM 0 H ALA A 212 -8.436 4.669 7.092 -0.36 0.02 H new ATOM 0 HA ALA A 212 -7.197 6.443 9.049 1.00 0.02 H new ATOM 0 HB1 ALA A 212 -9.527 7.229 9.369 -0.30 0.02 H new ATOM 0 HB2 ALA A 212 -9.019 7.313 7.665 -0.30 0.02 H new ATOM 0 HB3 ALA A 212 -10.086 5.998 8.212 -0.30 0.02 H new ATOM 782 N GLN A 213 -9.505 4.461 10.252 -0.36 0.02 N ATOM 783 CA GLN A 213 -9.836 3.647 11.420 1.00 0.02 C ATOM 784 C GLN A 213 -9.057 2.335 11.426 0.48 0.02 C ATOM 785 O GLN A 213 -8.182 2.134 12.269 -0.48 0.02 O ATOM 786 CB GLN A 213 -11.334 3.382 11.483 -0.20 0.02 C ATOM 787 CG GLN A 213 -11.843 3.118 12.891 -0.20 0.02 C ATOM 788 CD GLN A 213 -11.854 4.366 13.751 0.48 0.02 C ATOM 789 OE1 GLN A 213 -10.817 4.991 13.971 -0.48 0.02 O ATOM 790 NE2 GLN A 213 -13.030 4.736 14.243 -0.52 0.02 N ATOM 0 H GLN A 213 -10.286 4.633 9.619 -0.36 0.02 H new ATOM 0 HA GLN A 213 -9.545 4.209 12.308 1.00 0.02 H new ATOM 0 HB2 GLN A 213 -11.865 4.239 11.068 -0.20 0.02 H new ATOM 0 HB3 GLN A 213 -11.570 2.525 10.853 -0.20 0.02 H new ATOM 0 HG2 GLN A 213 -12.852 2.709 12.838 -0.20 0.02 H new ATOM 0 HG3 GLN A 213 -11.217 2.361 13.364 -0.20 0.02 H new ATOM 0 HE21 GLN A 213 -13.865 4.188 14.035 -0.52 0.02 H new ATOM 0 HE22 GLN A 213 -13.099 5.568 14.829 -0.52 0.02 H new ATOM 799 N LEU A 214 -9.347 1.454 10.469 -0.36 0.02 N ATOM 800 CA LEU A 214 -8.628 0.187 10.377 1.00 0.02 C ATOM 801 C LEU A 214 -7.811 0.154 9.100 0.48 0.02 C ATOM 802 O LEU A 214 -7.625 1.188 8.466 -0.48 0.02 O ATOM 803 CB LEU A 214 -9.548 -1.032 10.488 -0.20 0.02 C ATOM 804 CG LEU A 214 -10.437 -1.050 11.728 -0.10 0.02 C ATOM 805 CD1 LEU A 214 -9.576 -0.930 12.973 -0.30 0.02 C ATOM 806 CD2 LEU A 214 -11.464 0.071 11.669 -0.30 0.02 C ATOM 0 H LEU A 214 -10.064 1.592 9.757 -0.36 0.02 H new ATOM 0 HA LEU A 214 -7.956 0.126 11.233 1.00 0.02 H new ATOM 0 HB2 LEU A 214 -10.182 -1.073 9.602 -0.20 0.02 H new ATOM 0 HB3 LEU A 214 -8.936 -1.934 10.484 -0.20 0.02 H new ATOM 0 HG LEU A 214 -10.979 -1.995 11.764 -0.10 0.02 H new ATOM 0 HD11 LEU A 214 -10.212 -0.943 13.858 -0.30 0.02 H new ATOM 0 HD12 LEU A 214 -8.879 -1.767 13.015 -0.30 0.02 H new ATOM 0 HD13 LEU A 214 -9.018 0.006 12.941 -0.30 0.02 H new ATOM 0 HD21 LEU A 214 -12.088 0.040 12.562 -0.30 0.02 H new ATOM 0 HD22 LEU A 214 -10.952 1.032 11.617 -0.30 0.02 H new ATOM 0 HD23 LEU A 214 -12.090 -0.055 10.785 -0.30 0.02 H new ATOM 818 N CYS A 215 -7.428 -1.033 8.653 -0.36 0.02 N ATOM 819 CA CYS A 215 -6.714 -1.141 7.400 1.00 0.02 C ATOM 820 C CYS A 215 -6.658 -2.583 6.901 0.48 0.02 C ATOM 821 O CYS A 215 -5.601 -3.208 6.959 -0.48 0.02 O ATOM 822 CB CYS A 215 -5.307 -0.533 7.544 0.20 0.02 C ATOM 823 SG CYS A 215 -4.146 -1.514 8.561 -0.20 0.02 S ATOM 0 H CYS A 215 -7.598 -1.917 9.132 -0.36 0.02 H new ATOM 0 HA CYS A 215 -7.259 -0.575 6.645 1.00 0.02 H new ATOM 0 HB2 CYS A 215 -4.878 -0.406 6.550 0.20 0.02 H new ATOM 0 HB3 CYS A 215 -5.399 0.461 7.981 0.20 0.02 H new ATOM 828 N VAL A 216 -7.757 -3.137 6.406 -0.36 0.02 N ATOM 829 CA VAL A 216 -7.707 -4.508 5.928 1.00 0.02 C ATOM 830 C VAL A 216 -7.235 -4.540 4.503 0.48 0.02 C ATOM 831 O VAL A 216 -8.031 -4.456 3.568 -0.48 0.02 O ATOM 832 CB VAL A 216 -9.057 -5.229 5.999 -0.10 0.02 C ATOM 833 CG1 VAL A 216 -8.959 -6.636 5.395 -0.30 0.02 C ATOM 834 CG2 VAL A 216 -9.555 -5.287 7.434 -0.30 0.02 C ATOM 0 H VAL A 216 -8.663 -2.676 6.327 -0.36 0.02 H new ATOM 0 HA VAL A 216 -7.014 -5.029 6.589 1.00 0.02 H new ATOM 0 HB VAL A 216 -9.778 -4.663 5.410 -0.10 0.02 H new ATOM 0 HG11 VAL A 216 -9.930 -7.127 5.457 -0.30 0.02 H new ATOM 0 HG12 VAL A 216 -8.656 -6.563 4.351 -0.30 0.02 H new ATOM 0 HG13 VAL A 216 -8.222 -7.219 5.947 -0.30 0.02 H new ATOM 0 HG21 VAL A 216 -10.515 -5.802 7.465 -0.30 0.02 H new ATOM 0 HG22 VAL A 216 -8.833 -5.826 8.048 -0.30 0.02 H new ATOM 0 HG23 VAL A 216 -9.674 -4.274 7.819 -0.30 0.02 H new ATOM 844 N ASN A 217 -5.944 -4.665 4.330 -0.36 0.02 N ATOM 845 CA ASN A 217 -5.393 -4.713 3.005 1.00 0.02 C ATOM 846 C ASN A 217 -5.393 -6.150 2.499 0.48 0.02 C ATOM 847 O ASN A 217 -4.544 -6.938 2.915 -0.48 0.02 O ATOM 848 CB ASN A 217 -3.965 -4.160 3.001 -0.20 0.02 C ATOM 849 CG ASN A 217 -3.206 -4.544 1.749 0.48 0.02 C ATOM 850 OD1 ASN A 217 -3.808 -4.845 0.718 -0.48 0.02 O ATOM 851 ND2 ASN A 217 -1.883 -4.528 1.826 -0.52 0.02 N ATOM 0 H ASN A 217 -5.261 -4.735 5.085 -0.36 0.02 H new ATOM 0 HA ASN A 217 -6.007 -4.099 2.347 1.00 0.02 H new ATOM 0 HB2 ASN A 217 -3.998 -3.074 3.085 -0.20 0.02 H new ATOM 0 HB3 ASN A 217 -3.431 -4.531 3.876 -0.20 0.02 H new ATOM 0 HD21 ASN A 217 -1.322 -4.771 1.010 -0.52 0.02 H new ATOM 0 HD22 ASN A 217 -1.426 -4.272 2.701 -0.52 0.02 H new ATOM 858 N TYR A 218 -6.335 -6.525 1.623 -0.36 0.02 N ATOM 859 CA TYR A 218 -6.359 -7.896 1.149 1.00 0.02 C ATOM 860 C TYR A 218 -5.426 -8.071 -0.030 0.48 0.02 C ATOM 861 O TYR A 218 -4.903 -7.093 -0.577 -0.48 0.02 O ATOM 862 CB TYR A 218 -7.791 -8.350 0.804 -0.20 0.02 C ATOM 863 CG TYR A 218 -8.591 -7.419 -0.085 1.00 0.02 C ATOM 864 CD1 TYR A 218 -8.479 -7.473 -1.473 -0.14 0.02 C ATOM 865 CD2 TYR A 218 -9.493 -6.514 0.463 -0.14 0.02 C ATOM 866 CE1 TYR A 218 -9.241 -6.650 -2.283 -0.14 0.02 C ATOM 867 CE2 TYR A 218 -10.253 -5.685 -0.341 -0.14 0.02 C ATOM 868 CZ TYR A 218 -10.125 -5.758 -1.713 0.20 0.02 C ATOM 869 OH TYR A 218 -10.885 -4.939 -2.516 -0.60 0.02 O ATOM 0 H TYR A 218 -7.061 -5.917 1.245 -0.36 0.02 H new ATOM 0 HA TYR A 218 -6.005 -8.536 1.957 1.00 0.02 H new ATOM 0 HB2 TYR A 218 -7.734 -9.324 0.317 -0.20 0.02 H new ATOM 0 HB3 TYR A 218 -8.340 -8.491 1.735 -0.20 0.02 H new ATOM 0 HD1 TYR A 218 -7.786 -8.168 -1.924 -0.14 0.02 H new ATOM 0 HD2 TYR A 218 -9.602 -6.458 1.536 -0.14 0.02 H new ATOM 0 HE1 TYR A 218 -9.144 -6.706 -3.357 -0.14 0.02 H new ATOM 0 HE2 TYR A 218 -10.944 -4.983 0.103 -0.14 0.02 H new ATOM 0 HH TYR A 218 -11.456 -4.372 -1.957 -0.60 0.02 H new ATOM 879 N PRO A 219 -5.153 -9.325 -0.418 -0.36 0.02 N ATOM 880 CA PRO A 219 -4.247 -9.600 -1.512 1.00 0.02 C ATOM 881 C PRO A 219 -4.582 -8.783 -2.757 0.48 0.02 C ATOM 882 O PRO A 219 -5.499 -9.122 -3.506 -0.48 0.02 O ATOM 883 CB PRO A 219 -4.416 -11.105 -1.782 -0.20 0.02 C ATOM 884 CG PRO A 219 -5.573 -11.541 -0.943 -0.20 0.02 C ATOM 885 CD PRO A 219 -5.655 -10.565 0.193 0.06 0.02 C ATOM 0 HA PRO A 219 -3.222 -9.329 -1.260 1.00 0.02 H new ATOM 0 HB2 PRO A 219 -4.606 -11.294 -2.839 -0.20 0.02 H new ATOM 0 HB3 PRO A 219 -3.512 -11.654 -1.517 -0.20 0.02 H new ATOM 0 HG2 PRO A 219 -6.496 -11.542 -1.523 -0.20 0.02 H new ATOM 0 HG3 PRO A 219 -5.426 -12.556 -0.575 -0.20 0.02 H new ATOM 0 HD2 PRO A 219 -6.675 -10.453 0.559 0.06 0.02 H new ATOM 0 HD3 PRO A 219 -5.044 -10.876 1.041 0.06 0.02 H new ATOM 893 N GLY A 220 -3.826 -7.712 -2.979 -0.36 0.02 N ATOM 894 CA GLY A 220 -4.049 -6.872 -4.137 -0.10 0.02 C ATOM 895 C GLY A 220 -4.755 -5.574 -3.804 0.48 0.02 C ATOM 896 O GLY A 220 -4.162 -4.501 -3.881 -0.48 0.02 O ATOM 0 H GLY A 220 -3.061 -7.412 -2.374 -0.36 0.02 H new ATOM 0 HA2 GLY A 220 -3.091 -6.647 -4.605 -0.10 0.02 H new ATOM 0 HA3 GLY A 220 -4.640 -7.422 -4.869 -0.10 0.02 H new ATOM 900 N GLY A 221 -6.027 -5.674 -3.444 -0.36 0.02 N ATOM 901 CA GLY A 221 -6.799 -4.491 -3.109 -0.10 0.02 C ATOM 902 C GLY A 221 -6.965 -4.296 -1.624 0.48 0.02 C ATOM 903 O GLY A 221 -7.685 -5.045 -0.968 -0.48 0.02 O ATOM 0 H GLY A 221 -6.540 -6.553 -3.377 -0.36 0.02 H new ATOM 0 HA2 GLY A 221 -6.311 -3.613 -3.533 -0.10 0.02 H new ATOM 0 HA3 GLY A 221 -7.783 -4.563 -3.572 -0.10 0.02 H new ATOM 907 N TYR A 222 -6.284 -3.326 -1.054 -0.36 0.02 N ATOM 908 CA TYR A 222 -6.399 -3.134 0.370 1.00 0.02 C ATOM 909 C TYR A 222 -7.733 -2.513 0.754 0.48 0.02 C ATOM 910 O TYR A 222 -8.606 -2.315 -0.090 -0.48 0.02 O ATOM 911 CB TYR A 222 -5.249 -2.305 0.915 -0.20 0.02 C ATOM 912 CG TYR A 222 -5.273 -0.870 0.480 1.00 0.02 C ATOM 913 CD1 TYR A 222 -4.910 -0.522 -0.806 -0.14 0.02 C ATOM 914 CD2 TYR A 222 -5.645 0.133 1.360 -0.14 0.02 C ATOM 915 CE1 TYR A 222 -4.916 0.797 -1.216 -0.14 0.02 C ATOM 916 CE2 TYR A 222 -5.655 1.456 0.963 -0.14 0.02 C ATOM 917 CZ TYR A 222 -5.289 1.784 -0.327 0.20 0.02 C ATOM 918 OH TYR A 222 -5.297 3.100 -0.728 -0.60 0.02 O ATOM 0 H TYR A 222 -5.664 -2.677 -1.539 -0.36 0.02 H new ATOM 0 HA TYR A 222 -6.350 -4.124 0.824 1.00 0.02 H new ATOM 0 HB2 TYR A 222 -5.270 -2.344 2.004 -0.20 0.02 H new ATOM 0 HB3 TYR A 222 -4.308 -2.755 0.598 -0.20 0.02 H new ATOM 0 HD1 TYR A 222 -4.617 -1.294 -1.502 -0.14 0.02 H new ATOM 0 HD2 TYR A 222 -5.931 -0.123 2.370 -0.14 0.02 H new ATOM 0 HE1 TYR A 222 -4.631 1.054 -2.225 -0.14 0.02 H new ATOM 0 HE2 TYR A 222 -5.947 2.229 1.658 -0.14 0.02 H new ATOM 0 HH TYR A 222 -5.585 3.667 0.017 -0.60 0.02 H new ATOM 928 N THR A 223 -7.883 -2.203 2.039 -0.36 0.02 N ATOM 929 CA THR A 223 -9.107 -1.603 2.531 1.00 0.02 C ATOM 930 C THR A 223 -8.852 -0.808 3.796 0.48 0.02 C ATOM 931 O THR A 223 -8.010 -1.165 4.618 -0.48 0.02 O ATOM 932 CB THR A 223 -10.158 -2.681 2.797 0.18 0.02 C ATOM 933 OG1 THR A 223 -10.277 -3.551 1.686 -0.68 0.02 O ATOM 934 CG2 THR A 223 -11.529 -2.119 3.090 -0.30 0.02 C ATOM 0 H THR A 223 -7.171 -2.359 2.752 -0.36 0.02 H new ATOM 0 HA THR A 223 -9.479 -0.923 1.765 1.00 0.02 H new ATOM 0 HB THR A 223 -9.807 -3.215 3.680 0.18 0.02 H new ATOM 0 HG1 THR A 223 -9.802 -4.388 1.873 -0.68 0.02 H new ATOM 0 HG21 THR A 223 -12.227 -2.937 3.269 -0.30 0.02 H new ATOM 0 HG22 THR A 223 -11.480 -1.483 3.974 -0.30 0.02 H new ATOM 0 HG23 THR A 223 -11.871 -1.531 2.238 -0.30 0.02 H new ATOM 942 N CYS A 224 -9.606 0.263 3.946 -0.36 0.02 N ATOM 943 CA CYS A 224 -9.507 1.119 5.109 1.00 0.02 C ATOM 944 C CYS A 224 -10.835 1.099 5.824 0.48 0.02 C ATOM 945 O CYS A 224 -11.881 1.226 5.185 -0.48 0.02 O ATOM 946 CB CYS A 224 -9.134 2.532 4.682 0.20 0.02 C ATOM 947 SG CYS A 224 -7.651 2.575 3.633 -0.20 0.02 S ATOM 0 H CYS A 224 -10.304 0.563 3.265 -0.36 0.02 H new ATOM 0 HA CYS A 224 -8.729 0.761 5.783 1.00 0.02 H new ATOM 0 HB2 CYS A 224 -9.970 2.977 4.142 0.20 0.02 H new ATOM 0 HB3 CYS A 224 -8.965 3.143 5.569 0.20 0.02 H new ATOM 952 N TYR A 225 -10.823 0.894 7.132 -0.36 0.02 N ATOM 953 CA TYR A 225 -12.093 0.815 7.844 1.00 0.02 C ATOM 954 C TYR A 225 -12.436 2.079 8.585 0.48 0.02 C ATOM 955 O TYR A 225 -11.617 2.985 8.730 -0.48 0.02 O ATOM 956 CB TYR A 225 -12.106 -0.348 8.808 -0.20 0.02 C ATOM 957 CG TYR A 225 -12.704 -1.588 8.230 1.00 0.02 C ATOM 958 CD1 TYR A 225 -14.070 -1.679 8.045 -0.14 0.02 C ATOM 959 CD2 TYR A 225 -11.906 -2.661 7.870 -0.14 0.02 C ATOM 960 CE1 TYR A 225 -14.637 -2.820 7.510 -0.14 0.02 C ATOM 961 CE2 TYR A 225 -12.458 -3.803 7.335 -0.14 0.02 C ATOM 962 CZ TYR A 225 -13.826 -3.881 7.156 0.20 0.02 C ATOM 963 OH TYR A 225 -14.382 -5.021 6.621 -0.60 0.02 O ATOM 0 H TYR A 225 -9.986 0.783 7.705 -0.36 0.02 H new ATOM 0 HA TYR A 225 -12.852 0.666 7.076 1.00 0.02 H new ATOM 0 HB2 TYR A 225 -11.085 -0.559 9.125 -0.20 0.02 H new ATOM 0 HB3 TYR A 225 -12.665 -0.065 9.700 -0.20 0.02 H new ATOM 0 HD1 TYR A 225 -14.702 -0.848 8.322 -0.14 0.02 H new ATOM 0 HD2 TYR A 225 -10.837 -2.601 8.011 -0.14 0.02 H new ATOM 0 HE1 TYR A 225 -15.706 -2.882 7.370 -0.14 0.02 H new ATOM 0 HE2 TYR A 225 -11.826 -4.633 7.057 -0.14 0.02 H new ATOM 0 HH TYR A 225 -13.674 -5.670 6.426 -0.60 0.02 H new ATOM 973 N CYS A 226 -13.680 2.123 9.039 -0.36 0.02 N ATOM 974 CA CYS A 226 -14.197 3.259 9.761 1.00 0.02 C ATOM 975 C CYS A 226 -15.222 2.797 10.790 0.48 0.02 C ATOM 976 O CYS A 226 -15.742 1.687 10.691 -0.48 0.02 O ATOM 977 CB CYS A 226 -14.816 4.230 8.769 0.20 0.02 C ATOM 978 SG CYS A 226 -13.719 4.594 7.362 -0.20 0.02 S ATOM 0 H CYS A 226 -14.354 1.368 8.913 -0.36 0.02 H new ATOM 0 HA CYS A 226 -13.392 3.764 10.295 1.00 0.02 H new ATOM 0 HB2 CYS A 226 -15.752 3.814 8.396 0.20 0.02 H new ATOM 0 HB3 CYS A 226 -15.062 5.160 9.282 0.20 0.02 H new ATOM 983 N ASP A 227 -15.487 3.632 11.790 -0.36 0.02 N ATOM 984 CA ASP A 227 -16.430 3.281 12.845 1.00 0.02 C ATOM 985 C ASP A 227 -15.815 2.261 13.797 0.48 0.02 C ATOM 986 O ASP A 227 -15.739 1.073 13.486 -0.48 0.02 O ATOM 987 CB ASP A 227 -17.728 2.726 12.250 -0.45 0.02 C ATOM 988 CG ASP A 227 -18.772 2.416 13.307 0.49 0.02 C ATOM 989 OD1 ASP A 227 -18.423 2.412 14.505 -0.62 0.02 O ATOM 990 OD2 ASP A 227 -19.938 2.169 12.935 -0.62 0.02 O ATOM 0 H ASP A 227 -15.063 4.554 11.891 -0.36 0.02 H new ATOM 0 HA ASP A 227 -16.663 4.187 13.404 1.00 0.02 H new ATOM 0 HB2 ASP A 227 -18.136 3.448 11.543 -0.45 0.02 H new ATOM 0 HB3 ASP A 227 -17.506 1.819 11.687 -0.45 0.02 H new ATOM 995 N GLY A 228 -15.378 2.736 14.959 -0.36 0.02 N ATOM 996 CA GLY A 228 -14.775 1.854 15.940 -0.10 0.02 C ATOM 997 C GLY A 228 -14.635 2.510 17.299 0.48 0.02 C ATOM 998 O GLY A 228 -15.284 2.101 18.262 -0.48 0.02 O ATOM 0 H GLY A 228 -15.431 3.716 15.238 -0.36 0.02 H new ATOM 0 HA2 GLY A 228 -15.381 0.953 16.035 -0.10 0.02 H new ATOM 0 HA3 GLY A 228 -13.792 1.541 15.588 -0.10 0.02 H new ATOM 1002 N LYS A 229 -13.783 3.528 17.380 -0.36 0.02 N ATOM 1003 CA LYS A 229 -13.558 4.238 18.634 1.00 0.02 C ATOM 1004 C LYS A 229 -14.573 5.362 18.820 0.48 0.02 C ATOM 1005 O LYS A 229 -14.945 5.693 19.946 -0.48 0.02 O ATOM 1006 CB LYS A 229 -12.139 4.809 18.671 -0.20 0.02 C ATOM 1007 CG LYS A 229 -11.762 5.585 17.419 -0.20 0.02 C ATOM 1008 CD LYS A 229 -10.805 6.723 17.735 -0.20 0.02 C ATOM 1009 CE LYS A 229 -9.785 6.915 16.624 0.30 5.02 C ATOM 1010 NZ LYS A 229 -9.413 8.347 16.453 -0.81 0.02 N ATOM 0 H LYS A 229 -13.238 3.879 16.593 -0.36 0.02 H new ATOM 0 HA LYS A 229 -13.681 3.526 19.450 1.00 0.02 H new ATOM 0 HB2 LYS A 229 -12.042 5.464 19.537 -0.20 0.02 H new ATOM 0 HB3 LYS A 229 -11.431 3.992 18.809 -0.20 0.02 H new ATOM 0 HG2 LYS A 229 -11.301 4.911 16.697 -0.20 0.02 H new ATOM 0 HG3 LYS A 229 -12.662 5.985 16.953 -0.20 0.02 H new ATOM 0 HD2 LYS A 229 -11.368 7.645 17.877 -0.20 0.02 H new ATOM 0 HD3 LYS A 229 -10.289 6.517 18.673 -0.20 0.02 H new ATOM 0 HE2 LYS A 229 -8.891 6.332 16.847 0.30 5.02 H new ATOM 0 HE3 LYS A 229 -10.191 6.531 15.688 0.30 5.02 H new ATOM 0 HZ1 LYS A 229 -8.716 8.435 15.686 -0.81 0.02 H new ATOM 0 HZ2 LYS A 229 -10.261 8.900 16.215 -0.81 0.02 H new ATOM 0 HZ3 LYS A 229 -9.002 8.707 17.338 -0.81 0.02 H new ATOM 1024 N LYS A 230 -15.016 5.947 17.712 -0.36 0.02 N ATOM 1025 CA LYS A 230 -15.986 7.036 17.762 1.00 0.02 C ATOM 1026 C LYS A 230 -17.396 6.531 17.465 0.48 0.02 C ATOM 1027 O LYS A 230 -18.381 7.100 17.936 -0.48 0.02 O ATOM 1028 CB LYS A 230 -15.606 8.135 16.769 -0.20 0.02 C ATOM 1029 CG LYS A 230 -14.764 9.243 17.382 -0.20 0.02 C ATOM 1030 CD LYS A 230 -14.933 10.552 16.628 -0.20 0.02 C ATOM 1031 CE LYS A 230 -16.249 11.230 16.973 0.30 5.02 C ATOM 1032 NZ LYS A 230 -17.263 11.056 15.897 -0.81 0.02 N ATOM 0 H LYS A 230 -14.720 5.687 16.771 -0.36 0.02 H new ATOM 0 HA LYS A 230 -15.974 7.448 18.771 1.00 0.02 H new ATOM 0 HB2 LYS A 230 -15.057 7.690 15.939 -0.20 0.02 H new ATOM 0 HB3 LYS A 230 -16.516 8.569 16.354 -0.20 0.02 H new ATOM 0 HG2 LYS A 230 -15.048 9.383 18.425 -0.20 0.02 H new ATOM 0 HG3 LYS A 230 -13.714 8.950 17.374 -0.20 0.02 H new ATOM 0 HD2 LYS A 230 -14.105 11.220 16.867 -0.20 0.02 H new ATOM 0 HD3 LYS A 230 -14.891 10.363 15.555 -0.20 0.02 H new ATOM 0 HE2 LYS A 230 -16.635 10.819 17.906 0.30 5.02 H new ATOM 0 HE3 LYS A 230 -16.076 12.293 17.141 0.30 5.02 H new ATOM 0 HZ1 LYS A 230 -17.414 11.964 15.412 -0.81 0.02 H new ATOM 0 HZ2 LYS A 230 -16.925 10.350 15.212 -0.81 0.02 H new ATOM 0 HZ3 LYS A 230 -18.159 10.733 16.314 -0.81 0.02 H new ATOM 1046 N GLY A 231 -17.485 5.462 16.682 -0.36 0.02 N ATOM 1047 CA GLY A 231 -18.780 4.904 16.337 -0.10 0.02 C ATOM 1048 C GLY A 231 -19.448 5.658 15.204 0.48 0.02 C ATOM 1049 O GLY A 231 -20.499 6.270 15.393 -0.48 0.02 O ATOM 0 H GLY A 231 -16.686 4.972 16.280 -0.36 0.02 H new ATOM 0 HA2 GLY A 231 -18.659 3.859 16.053 -0.10 0.02 H new ATOM 0 HA3 GLY A 231 -19.427 4.923 17.214 -0.10 0.02 H new ATOM 1053 N PHE A 232 -18.831 5.626 14.026 -0.36 0.02 N ATOM 1054 CA PHE A 232 -19.368 6.324 12.865 1.00 0.02 C ATOM 1055 C PHE A 232 -19.544 5.390 11.659 0.48 0.02 C ATOM 1056 O PHE A 232 -20.102 4.304 11.799 -0.48 0.02 O ATOM 1057 CB PHE A 232 -18.485 7.509 12.519 -0.16 0.02 C ATOM 1058 CG PHE A 232 -17.029 7.226 12.452 0.03 0.02 C ATOM 1059 CD1 PHE A 232 -16.252 7.231 13.597 -0.16 0.02 C ATOM 1060 CD2 PHE A 232 -16.430 7.005 11.232 -0.16 0.02 C ATOM 1061 CE1 PHE A 232 -14.894 7.007 13.524 -0.15 0.02 C ATOM 1062 CE2 PHE A 232 -15.073 6.790 11.150 -0.15 0.02 C ATOM 1063 CZ PHE A 232 -14.300 6.788 12.297 -0.15 0.02 C ATOM 0 H PHE A 232 -17.960 5.125 13.852 -0.36 0.02 H new ATOM 0 HA PHE A 232 -20.362 6.689 13.123 1.00 0.02 H new ATOM 0 HB2 PHE A 232 -18.804 7.908 11.556 -0.16 0.02 H new ATOM 0 HB3 PHE A 232 -18.651 8.292 13.259 -0.16 0.02 H new ATOM 0 HD1 PHE A 232 -16.714 7.412 14.556 -0.16 0.02 H new ATOM 0 HD2 PHE A 232 -17.029 7.000 10.333 -0.16 0.02 H new ATOM 0 HE1 PHE A 232 -14.296 7.003 14.424 -0.15 0.02 H new ATOM 0 HE2 PHE A 232 -14.611 6.623 10.188 -0.15 0.02 H new ATOM 0 HZ PHE A 232 -13.236 6.616 12.233 -0.15 0.02 H new ATOM 1073 N LYS A 233 -19.109 5.821 10.465 -0.36 0.02 N ATOM 1074 CA LYS A 233 -19.275 5.010 9.265 1.00 0.02 C ATOM 1075 C LYS A 233 -18.196 5.295 8.219 0.48 0.02 C ATOM 1076 O LYS A 233 -17.674 6.404 8.139 -0.48 0.02 O ATOM 1077 CB LYS A 233 -20.631 5.322 8.664 -0.20 0.02 C ATOM 1078 CG LYS A 233 -21.747 4.410 9.152 -0.20 0.02 C ATOM 1079 CD LYS A 233 -22.154 3.404 8.085 -0.20 0.02 C ATOM 1080 CE LYS A 233 -22.137 1.982 8.624 0.30 5.02 C ATOM 1081 NZ LYS A 233 -22.788 1.886 9.960 -0.81 0.02 N ATOM 0 H LYS A 233 -18.646 6.717 10.312 -0.36 0.02 H new ATOM 0 HA LYS A 233 -19.192 3.961 9.549 1.00 0.02 H new ATOM 0 HB2 LYS A 233 -20.891 6.355 8.896 -0.20 0.02 H new ATOM 0 HB3 LYS A 233 -20.562 5.247 7.579 -0.20 0.02 H new ATOM 0 HG2 LYS A 233 -21.420 3.880 10.047 -0.20 0.02 H new ATOM 0 HG3 LYS A 233 -22.611 5.011 9.435 -0.20 0.02 H new ATOM 0 HD2 LYS A 233 -23.153 3.644 7.719 -0.20 0.02 H new ATOM 0 HD3 LYS A 233 -21.476 3.480 7.235 -0.20 0.02 H new ATOM 0 HE2 LYS A 233 -22.648 1.322 7.923 0.30 5.02 H new ATOM 0 HE3 LYS A 233 -21.107 1.634 8.696 0.30 5.02 H new ATOM 0 HZ1 LYS A 233 -23.240 0.955 10.060 -0.81 0.02 H new ATOM 0 HZ2 LYS A 233 -22.072 2.004 10.705 -0.81 0.02 H new ATOM 0 HZ3 LYS A 233 -23.507 2.632 10.050 -0.81 0.02 H new ATOM 1095 N LEU A 234 -17.870 4.286 7.412 -0.36 0.02 N ATOM 1096 CA LEU A 234 -16.862 4.439 6.368 1.00 0.02 C ATOM 1097 C LEU A 234 -17.458 5.095 5.127 0.48 0.02 C ATOM 1098 O LEU A 234 -18.412 4.584 4.540 -0.48 0.02 O ATOM 1099 CB LEU A 234 -16.256 3.073 6.005 -0.20 0.02 C ATOM 1100 CG LEU A 234 -15.560 2.980 4.637 -0.10 0.02 C ATOM 1101 CD1 LEU A 234 -14.669 4.191 4.382 -0.30 0.02 C ATOM 1102 CD2 LEU A 234 -14.746 1.697 4.544 -0.30 0.02 C ATOM 0 H LEU A 234 -18.289 3.357 7.462 -0.36 0.02 H new ATOM 0 HA LEU A 234 -16.073 5.085 6.752 1.00 0.02 H new ATOM 0 HB2 LEU A 234 -15.534 2.803 6.776 -0.20 0.02 H new ATOM 0 HB3 LEU A 234 -17.050 2.327 6.037 -0.20 0.02 H new ATOM 0 HG LEU A 234 -16.334 2.966 3.869 -0.10 0.02 H new ATOM 0 HD11 LEU A 234 -14.192 4.093 3.407 -0.30 0.02 H new ATOM 0 HD12 LEU A 234 -15.273 5.098 4.401 -0.30 0.02 H new ATOM 0 HD13 LEU A 234 -13.903 4.249 5.156 -0.30 0.02 H new ATOM 0 HD21 LEU A 234 -14.259 1.645 3.570 -0.30 0.02 H new ATOM 0 HD22 LEU A 234 -13.990 1.688 5.329 -0.30 0.02 H new ATOM 0 HD23 LEU A 234 -15.406 0.838 4.666 -0.30 0.02 H new ATOM 1114 N ALA A 235 -16.900 6.242 4.748 -0.36 0.02 N ATOM 1115 CA ALA A 235 -17.383 6.987 3.589 1.00 0.02 C ATOM 1116 C ALA A 235 -17.521 6.098 2.355 0.48 0.02 C ATOM 1117 O ALA A 235 -17.315 4.885 2.414 -0.48 0.02 O ATOM 1118 CB ALA A 235 -16.453 8.150 3.286 -0.30 0.02 C ATOM 0 H ALA A 235 -16.112 6.676 5.228 -0.36 0.02 H new ATOM 0 HA ALA A 235 -18.374 7.367 3.837 1.00 0.02 H new ATOM 0 HB1 ALA A 235 -16.825 8.697 2.420 -0.30 0.02 H new ATOM 0 HB2 ALA A 235 -16.413 8.818 4.147 -0.30 0.02 H new ATOM 0 HB3 ALA A 235 -15.453 7.771 3.074 -0.30 0.02 H new ATOM 1124 N GLN A 236 -17.894 6.719 1.244 -0.36 0.02 N ATOM 1125 CA GLN A 236 -18.097 6.011 -0.014 1.00 0.02 C ATOM 1126 C GLN A 236 -16.811 5.880 -0.828 0.48 0.02 C ATOM 1127 O GLN A 236 -16.863 5.593 -2.024 -0.48 0.02 O ATOM 1128 CB GLN A 236 -19.165 6.718 -0.850 -0.20 0.02 C ATOM 1129 CG GLN A 236 -19.694 5.876 -2.000 -0.20 0.02 C ATOM 1130 CD GLN A 236 -19.788 6.653 -3.298 0.48 0.02 C ATOM 1131 OE1 GLN A 236 -20.817 7.256 -3.601 -0.48 0.02 O ATOM 1132 NE2 GLN A 236 -18.710 6.641 -4.074 -0.52 0.02 N ATOM 0 H GLN A 236 -18.064 7.723 1.189 -0.36 0.02 H new ATOM 0 HA GLN A 236 -18.427 5.004 0.239 1.00 0.02 H new ATOM 0 HB2 GLN A 236 -19.996 6.996 -0.202 -0.20 0.02 H new ATOM 0 HB3 GLN A 236 -18.749 7.643 -1.249 -0.20 0.02 H new ATOM 0 HG2 GLN A 236 -19.043 5.014 -2.144 -0.20 0.02 H new ATOM 0 HG3 GLN A 236 -20.680 5.491 -1.740 -0.20 0.02 H new ATOM 0 HE21 GLN A 236 -17.878 6.128 -3.783 -0.52 0.02 H new ATOM 0 HE22 GLN A 236 -18.714 7.145 -4.961 -0.52 0.02 H new ATOM 1141 N ASP A 237 -15.658 6.088 -0.197 -0.36 0.02 N ATOM 1142 CA ASP A 237 -14.384 5.982 -0.908 1.00 0.02 C ATOM 1143 C ASP A 237 -13.689 4.652 -0.612 0.48 0.02 C ATOM 1144 O ASP A 237 -12.883 4.176 -1.411 -0.48 0.02 O ATOM 1145 CB ASP A 237 -13.456 7.146 -0.536 -0.45 0.02 C ATOM 1146 CG ASP A 237 -14.212 8.430 -0.249 0.49 0.02 C ATOM 1147 OD1 ASP A 237 -14.435 9.212 -1.197 -0.62 0.02 O ATOM 1148 OD2 ASP A 237 -14.580 8.653 0.923 -0.62 0.02 O ATOM 0 H ASP A 237 -15.578 6.328 0.791 -0.36 0.02 H new ATOM 0 HA ASP A 237 -14.602 6.027 -1.975 1.00 0.02 H new ATOM 0 HB2 ASP A 237 -12.869 6.871 0.340 -0.45 0.02 H new ATOM 0 HB3 ASP A 237 -12.752 7.318 -1.350 -0.45 0.02 H new ATOM 1153 N GLN A 238 -13.994 4.064 0.545 -0.36 0.02 N ATOM 1154 CA GLN A 238 -13.390 2.793 0.956 1.00 0.02 C ATOM 1155 C GLN A 238 -11.955 3.000 1.447 0.48 0.02 C ATOM 1156 O GLN A 238 -11.206 2.041 1.633 -0.48 0.02 O ATOM 1157 CB GLN A 238 -13.409 1.780 -0.194 -0.20 0.02 C ATOM 1158 CG GLN A 238 -14.749 1.691 -0.907 -0.20 0.02 C ATOM 1159 CD GLN A 238 -15.856 1.182 -0.005 0.48 0.02 C ATOM 1160 OE1 GLN A 238 -15.730 0.128 0.617 -0.48 0.02 O ATOM 1161 NE2 GLN A 238 -16.950 1.932 0.070 -0.52 0.02 N ATOM 0 H GLN A 238 -14.658 4.448 1.217 -0.36 0.02 H new ATOM 0 HA GLN A 238 -13.985 2.397 1.779 1.00 0.02 H new ATOM 0 HB2 GLN A 238 -12.640 2.050 -0.917 -0.20 0.02 H new ATOM 0 HB3 GLN A 238 -13.149 0.796 0.196 -0.20 0.02 H new ATOM 0 HG2 GLN A 238 -15.020 2.676 -1.288 -0.20 0.02 H new ATOM 0 HG3 GLN A 238 -14.655 1.030 -1.769 -0.20 0.02 H new ATOM 0 HE21 GLN A 238 -17.011 2.799 -0.464 -0.52 0.02 H new ATOM 0 HE22 GLN A 238 -17.729 1.641 0.661 -0.52 0.02 H new ATOM 1170 N LYS A 239 -11.587 4.260 1.656 -0.36 0.02 N ATOM 1171 CA LYS A 239 -10.249 4.601 2.128 1.00 0.02 C ATOM 1172 C LYS A 239 -10.319 5.522 3.343 0.48 0.02 C ATOM 1173 O LYS A 239 -9.799 5.197 4.411 -0.48 0.02 O ATOM 1174 CB LYS A 239 -9.436 5.264 1.011 -0.20 0.02 C ATOM 1175 CG LYS A 239 -10.231 6.254 0.174 -0.20 0.02 C ATOM 1176 CD LYS A 239 -9.584 6.482 -1.182 -0.20 0.02 C ATOM 1177 CE LYS A 239 -8.224 7.147 -1.046 0.30 5.02 C ATOM 1178 NZ LYS A 239 -7.110 6.166 -1.171 -0.81 0.02 N ATOM 0 H LYS A 239 -12.197 5.063 1.506 -0.36 0.02 H new ATOM 0 HA LYS A 239 -9.751 3.677 2.423 1.00 0.02 H new ATOM 0 HB2 LYS A 239 -8.583 5.779 1.453 -0.20 0.02 H new ATOM 0 HB3 LYS A 239 -9.036 4.489 0.357 -0.20 0.02 H new ATOM 0 HG2 LYS A 239 -11.246 5.883 0.036 -0.20 0.02 H new ATOM 0 HG3 LYS A 239 -10.308 7.202 0.706 -0.20 0.02 H new ATOM 0 HD2 LYS A 239 -9.474 5.529 -1.699 -0.20 0.02 H new ATOM 0 HD3 LYS A 239 -10.235 7.104 -1.797 -0.20 0.02 H new ATOM 0 HE2 LYS A 239 -8.118 7.916 -1.811 0.30 5.02 H new ATOM 0 HE3 LYS A 239 -8.160 7.648 -0.080 0.30 5.02 H new ATOM 0 HZ1 LYS A 239 -6.331 6.443 -0.540 -0.81 0.02 H new ATOM 0 HZ2 LYS A 239 -7.450 5.219 -0.907 -0.81 0.02 H new ATOM 0 HZ3 LYS A 239 -6.770 6.150 -2.154 -0.81 0.02 H new ATOM 1192 N SER A 240 -10.969 6.671 3.177 -0.36 0.02 N ATOM 1193 CA SER A 240 -11.112 7.634 4.264 1.00 0.02 C ATOM 1194 C SER A 240 -12.242 7.222 5.199 0.48 0.02 C ATOM 1195 O SER A 240 -12.750 6.105 5.113 -0.48 0.02 O ATOM 1196 CB SER A 240 -11.374 9.035 3.704 0.08 0.02 C ATOM 1197 OG SER A 240 -10.271 9.893 3.941 -0.68 0.02 O ATOM 0 H SER A 240 -11.405 6.957 2.300 -0.36 0.02 H new ATOM 0 HA SER A 240 -10.181 7.652 4.831 1.00 0.02 H new ATOM 0 HB2 SER A 240 -11.566 8.972 2.633 0.08 0.02 H new ATOM 0 HB3 SER A 240 -12.269 9.453 4.165 0.08 0.02 H new ATOM 0 HG SER A 240 -10.462 10.781 3.573 -0.68 0.02 H new ATOM 1203 N CYS A 241 -12.625 8.122 6.098 -0.36 0.02 N ATOM 1204 CA CYS A 241 -13.688 7.831 7.052 1.00 0.02 C ATOM 1205 C CYS A 241 -14.574 9.045 7.298 0.48 0.02 C ATOM 1206 O CYS A 241 -14.107 10.184 7.270 -0.48 0.02 O ATOM 1207 CB CYS A 241 -13.075 7.333 8.360 0.20 0.02 C ATOM 1208 SG CYS A 241 -12.258 5.725 8.191 -0.20 0.02 S ATOM 0 H CYS A 241 -12.218 9.053 6.186 -0.36 0.02 H new ATOM 0 HA CYS A 241 -14.324 7.053 6.631 1.00 0.02 H new ATOM 0 HB2 CYS A 241 -12.352 8.066 8.718 0.20 0.02 H new ATOM 0 HB3 CYS A 241 -13.856 7.260 9.116 0.20 0.02 H new ATOM 1213 N GLU A 242 -15.863 8.795 7.527 -0.36 0.02 N ATOM 1214 CA GLU A 242 -16.814 9.874 7.761 1.00 0.02 C ATOM 1215 C GLU A 242 -17.856 9.510 8.821 0.48 0.02 C ATOM 1216 O GLU A 242 -18.561 8.506 8.705 -0.48 0.02 O ATOM 1217 CB GLU A 242 -17.518 10.243 6.454 -0.20 0.02 C ATOM 1218 CG GLU A 242 -18.405 11.473 6.566 -0.45 0.02 C ATOM 1219 CD GLU A 242 -17.666 12.755 6.237 0.49 0.02 C ATOM 1220 OE1 GLU A 242 -17.353 12.971 5.047 -0.62 0.02 O ATOM 1221 OE2 GLU A 242 -17.401 13.544 7.168 -0.62 0.02 O ATOM 0 H GLU A 242 -16.268 7.859 7.555 -0.36 0.02 H new ATOM 0 HA GLU A 242 -16.248 10.728 8.134 1.00 0.02 H new ATOM 0 HB2 GLU A 242 -16.767 10.416 5.683 -0.20 0.02 H new ATOM 0 HB3 GLU A 242 -18.123 9.398 6.126 -0.20 0.02 H new ATOM 0 HG2 GLU A 242 -19.256 11.365 5.893 -0.45 0.02 H new ATOM 0 HG3 GLU A 242 -18.805 11.538 7.578 -0.45 0.02 H new ATOM 1228 N VAL A 243 -17.957 10.345 9.848 -0.36 0.02 N ATOM 1229 CA VAL A 243 -18.924 10.129 10.920 1.00 0.02 C ATOM 1230 C VAL A 243 -20.238 10.843 10.620 0.48 0.02 C ATOM 1231 O VAL A 243 -20.257 11.892 9.976 -0.48 0.02 O ATOM 1232 CB VAL A 243 -18.376 10.601 12.285 -0.10 0.02 C ATOM 1233 CG1 VAL A 243 -17.778 11.994 12.172 -0.30 0.02 C ATOM 1234 CG2 VAL A 243 -19.462 10.565 13.354 -0.30 0.02 C ATOM 0 H VAL A 243 -17.381 11.179 9.962 -0.36 0.02 H new ATOM 0 HA VAL A 243 -19.105 9.056 10.975 1.00 0.02 H new ATOM 0 HB VAL A 243 -17.586 9.913 12.586 -0.10 0.02 H new ATOM 0 HG11 VAL A 243 -17.398 12.307 13.145 -0.30 0.02 H new ATOM 0 HG12 VAL A 243 -16.961 11.982 11.450 -0.30 0.02 H new ATOM 0 HG13 VAL A 243 -18.545 12.693 11.840 -0.30 0.02 H new ATOM 0 HG21 VAL A 243 -19.048 10.902 14.304 -0.30 0.02 H new ATOM 0 HG22 VAL A 243 -20.282 11.221 13.062 -0.30 0.02 H new ATOM 0 HG23 VAL A 243 -19.833 9.546 13.461 -0.30 0.02 H new