USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=17 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 222 TYR OH : rot 30:sc= 0.377 USER MOD Set 1.2: A 239 LYS NZ :NH3+ -118:sc= 0.37 (180deg=0) USER MOD Set 2.1: A 223 THR OG1 : rot 27:sc= 0.576 USER MOD Set 2.2: A 238 GLN : amide:sc=-0.000703 X(o=0.58,f=0.42) 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 -55:sc= 0.887 USER MOD Single : A 173 THR OG1 : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ -159:sc= -0.058 (180deg=-0.322) USER MOD Single : A 178 ASN : amide:sc= -8.86! C(o=-8.9!,f=-10!) USER MOD Single : A 191 TYR OH : rot 165:sc= -1.07 USER MOD Single : A 193 TYR OH : rot 2:sc= -3.63! USER MOD Single : A 194 ASN : amide:sc= -0.972 K(o=-0.97,f=-1.7!) USER MOD Single : A 196 LYS NZ :NH3+ -146:sc= -0.0573 (180deg=-0.285) USER MOD Single : A 197 SER OG : rot 180:sc= 0 USER MOD Single : A 198 LYS NZ :NH3+ 171:sc= 0.116 (180deg=0.101) USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 207 SER OG : rot 87:sc= -0.485! USER MOD Single : A 209 ASN : amide:sc= -0.0977 K(o=-0.098,f=-0.68) USER MOD Single : A 210 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 213 GLN : amide:sc= -4.1 K(o=-4.1,f=-7.5!) USER MOD Single : A 217 ASN : amide:sc= -8.73! C(o=-8.7!,f=-12!) USER MOD Single : A 218 TYR OH : rot 180:sc= 0 USER MOD Single : A 225 TYR OH : rot 180:sc= -0.0825 USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 GLN : amide:sc= -0.0257 X(o=-0.026,f=0) USER MOD Single : A 240 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 160 16.433 7.067 -11.535 -0.36 0.02 N ATOM 26 CA ASP A 160 16.968 8.185 -10.764 1.00 0.01 C ATOM 27 C ASP A 160 17.893 7.691 -9.653 0.48 0.02 C ATOM 28 O ASP A 160 19.114 7.673 -9.812 -0.48 0.02 O ATOM 29 CB ASP A 160 15.830 9.028 -10.170 -0.45 0.01 C ATOM 30 CG ASP A 160 14.577 8.216 -9.889 0.49 0.01 C ATOM 31 OD1 ASP A 160 13.733 8.092 -10.801 -0.62 0.01 O ATOM 32 OD2 ASP A 160 14.441 7.707 -8.755 -0.62 0.01 O ATOM 0 HA ASP A 160 17.549 8.810 -11.442 1.00 0.01 H new ATOM 0 HB2 ASP A 160 16.172 9.490 -9.244 -0.45 0.01 H new ATOM 0 HB3 ASP A 160 15.586 9.837 -10.859 -0.45 0.01 H new ATOM 37 N VAL A 161 17.307 7.288 -8.529 -0.36 0.01 N ATOM 38 CA VAL A 161 18.078 6.793 -7.396 1.00 0.01 C ATOM 39 C VAL A 161 17.198 5.963 -6.468 0.48 0.01 C ATOM 40 O VAL A 161 16.014 6.264 -6.290 -0.48 0.01 O ATOM 41 CB VAL A 161 18.714 7.949 -6.599 -0.10 0.01 C ATOM 42 CG1 VAL A 161 17.641 8.866 -6.033 -0.30 0.02 C ATOM 43 CG2 VAL A 161 19.605 7.408 -5.489 -0.30 0.02 C ATOM 0 H VAL A 161 16.298 7.295 -8.380 -0.36 0.01 H new ATOM 0 HA VAL A 161 18.875 6.166 -7.796 1.00 0.01 H new ATOM 0 HB VAL A 161 19.334 8.533 -7.279 -0.10 0.01 H new ATOM 0 HG11 VAL A 161 18.111 9.675 -5.474 -0.30 0.02 H new ATOM 0 HG12 VAL A 161 17.052 9.284 -6.849 -0.30 0.02 H new ATOM 0 HG13 VAL A 161 16.990 8.297 -5.369 -0.30 0.02 H new ATOM 0 HG21 VAL A 161 20.045 8.239 -4.938 -0.30 0.02 H new ATOM 0 HG22 VAL A 161 19.010 6.797 -4.810 -0.30 0.02 H new ATOM 0 HG23 VAL A 161 20.399 6.800 -5.923 -0.30 0.02 H new ATOM 53 N ASP A 162 17.778 4.914 -5.883 -0.36 0.01 N ATOM 54 CA ASP A 162 17.041 4.035 -4.977 1.00 0.01 C ATOM 55 C ASP A 162 15.676 3.689 -5.559 0.48 0.01 C ATOM 56 O ASP A 162 14.704 4.414 -5.352 -0.48 0.02 O ATOM 57 CB ASP A 162 16.871 4.704 -3.611 -0.45 0.01 C ATOM 58 CG ASP A 162 18.200 5.035 -2.960 0.49 0.02 C ATOM 59 OD1 ASP A 162 18.958 4.093 -2.647 -0.62 0.02 O ATOM 60 OD2 ASP A 162 18.483 6.236 -2.764 -0.62 0.02 O ATOM 0 H ASP A 162 18.754 4.653 -6.021 -0.36 0.01 H new ATOM 0 HA ASP A 162 17.611 3.114 -4.853 1.00 0.01 H new ATOM 0 HB2 ASP A 162 16.289 5.618 -3.727 -0.45 0.01 H new ATOM 0 HB3 ASP A 162 16.302 4.045 -2.955 -0.45 0.01 H new ATOM 65 N GLU A 163 15.603 2.587 -6.298 -0.36 0.02 N ATOM 66 CA GLU A 163 14.348 2.181 -6.906 1.00 0.02 C ATOM 67 C GLU A 163 13.698 1.059 -6.111 0.48 0.02 C ATOM 68 O GLU A 163 12.675 1.259 -5.458 -0.48 0.02 O ATOM 69 CB GLU A 163 14.573 1.752 -8.357 -0.20 0.01 C ATOM 70 CG GLU A 163 15.462 2.707 -9.140 -0.45 0.01 C ATOM 71 CD GLU A 163 14.952 4.137 -9.118 0.49 0.01 C ATOM 72 OE1 GLU A 163 14.702 4.665 -8.012 -0.62 0.01 O ATOM 73 OE2 GLU A 163 14.803 4.729 -10.207 -0.62 0.01 O ATOM 0 H GLU A 163 16.391 1.967 -6.487 -0.36 0.02 H new ATOM 0 HA GLU A 163 13.672 3.036 -6.898 1.00 0.02 H new ATOM 0 HB2 GLU A 163 15.021 0.758 -8.369 -0.20 0.01 H new ATOM 0 HB3 GLU A 163 13.608 1.672 -8.858 -0.20 0.01 H new ATOM 0 HG2 GLU A 163 16.470 2.679 -8.727 -0.45 0.01 H new ATOM 0 HG3 GLU A 163 15.532 2.367 -10.173 -0.45 0.01 H new ATOM 80 N CYS A 164 14.299 -0.119 -6.159 -0.36 0.02 N ATOM 81 CA CYS A 164 13.775 -1.262 -5.430 1.00 0.02 C ATOM 82 C CYS A 164 14.530 -1.457 -4.121 0.48 0.02 C ATOM 83 O CYS A 164 13.997 -2.019 -3.164 -0.48 0.02 O ATOM 84 CB CYS A 164 13.853 -2.520 -6.288 0.20 0.02 C ATOM 85 SG CYS A 164 12.256 -3.007 -7.018 -0.20 0.02 S ATOM 0 H CYS A 164 15.147 -0.308 -6.693 -0.36 0.02 H new ATOM 0 HA CYS A 164 12.729 -1.070 -5.193 1.00 0.02 H new ATOM 0 HB2 CYS A 164 14.575 -2.359 -7.089 0.20 0.02 H new ATOM 0 HB3 CYS A 164 14.230 -3.342 -5.679 0.20 0.02 H new ATOM 90 N SER A 165 15.768 -0.974 -4.079 -0.36 0.02 N ATOM 91 CA SER A 165 16.587 -1.081 -2.880 1.00 0.02 C ATOM 92 C SER A 165 16.168 -0.037 -1.844 0.48 0.02 C ATOM 93 O SER A 165 16.662 -0.037 -0.717 -0.48 0.02 O ATOM 94 CB SER A 165 18.066 -0.908 -3.228 0.08 0.02 C ATOM 95 OG SER A 165 18.423 -1.699 -4.349 -0.68 0.02 O ATOM 0 H SER A 165 16.224 -0.505 -4.862 -0.36 0.02 H new ATOM 0 HA SER A 165 16.438 -2.073 -2.454 1.00 0.02 H new ATOM 0 HB2 SER A 165 18.273 0.141 -3.439 0.08 0.02 H new ATOM 0 HB3 SER A 165 18.679 -1.188 -2.372 0.08 0.02 H new ATOM 0 HG SER A 165 19.373 -1.569 -4.552 -0.68 0.02 H new ATOM 101 N LEU A 166 15.249 0.850 -2.233 -0.36 0.02 N ATOM 102 CA LEU A 166 14.762 1.894 -1.338 1.00 0.02 C ATOM 103 C LEU A 166 14.231 1.287 -0.042 0.48 0.02 C ATOM 104 O LEU A 166 14.335 1.889 1.027 -0.48 0.02 O ATOM 105 CB LEU A 166 13.659 2.705 -2.025 -0.20 0.02 C ATOM 106 CG LEU A 166 13.707 4.216 -1.775 -0.10 0.02 C ATOM 107 CD1 LEU A 166 13.406 4.983 -3.057 -0.30 0.02 C ATOM 108 CD2 LEU A 166 12.730 4.607 -0.674 -0.30 0.02 C ATOM 0 H LEU A 166 14.829 0.863 -3.162 -0.36 0.02 H new ATOM 0 HA LEU A 166 15.594 2.556 -1.097 1.00 0.02 H new ATOM 0 HB2 LEU A 166 13.716 2.529 -3.099 -0.20 0.02 H new ATOM 0 HB3 LEU A 166 12.692 2.328 -1.691 -0.20 0.02 H new ATOM 0 HG LEU A 166 14.714 4.478 -1.449 -0.10 0.02 H new ATOM 0 HD11 LEU A 166 13.445 6.054 -2.858 -0.30 0.02 H new ATOM 0 HD12 LEU A 166 14.146 4.728 -3.816 -0.30 0.02 H new ATOM 0 HD13 LEU A 166 12.412 4.717 -3.415 -0.30 0.02 H new ATOM 0 HD21 LEU A 166 12.778 5.684 -0.510 -0.30 0.02 H new ATOM 0 HD22 LEU A 166 11.718 4.330 -0.970 -0.30 0.02 H new ATOM 0 HD23 LEU A 166 12.993 4.088 0.247 -0.30 0.02 H new ATOM 120 N LYS A 167 13.664 0.089 -0.150 -0.36 0.02 N ATOM 121 CA LYS A 167 13.114 -0.610 1.007 1.00 0.02 C ATOM 122 C LYS A 167 13.260 -2.122 0.840 0.48 0.02 C ATOM 123 O LYS A 167 13.461 -2.614 -0.270 -0.48 0.02 O ATOM 124 CB LYS A 167 11.640 -0.245 1.201 -0.20 0.02 C ATOM 125 CG LYS A 167 11.326 1.214 0.910 -0.20 0.02 C ATOM 126 CD LYS A 167 10.005 1.636 1.533 -0.20 0.02 C ATOM 127 CE LYS A 167 8.917 1.797 0.483 0.30 5.02 C ATOM 128 NZ LYS A 167 8.059 2.985 0.749 -0.81 0.02 N ATOM 0 H LYS A 167 13.573 -0.419 -1.030 -0.36 0.02 H new ATOM 0 HA LYS A 167 13.673 -0.300 1.890 1.00 0.02 H new ATOM 0 HB2 LYS A 167 11.031 -0.874 0.552 -0.20 0.02 H new ATOM 0 HB3 LYS A 167 11.351 -0.471 2.227 -0.20 0.02 H new ATOM 0 HG2 LYS A 167 12.128 1.843 1.295 -0.20 0.02 H new ATOM 0 HG3 LYS A 167 11.287 1.371 -0.168 -0.20 0.02 H new ATOM 0 HD2 LYS A 167 9.695 0.893 2.268 -0.20 0.02 H new ATOM 0 HD3 LYS A 167 10.138 2.577 2.067 -0.20 0.02 H new ATOM 0 HE2 LYS A 167 9.374 1.893 -0.502 0.30 5.02 H new ATOM 0 HE3 LYS A 167 8.298 0.900 0.461 0.30 5.02 H new ATOM 0 HZ1 LYS A 167 7.330 3.059 0.011 -0.81 0.02 H new ATOM 0 HZ2 LYS A 167 7.602 2.882 1.678 -0.81 0.02 H new ATOM 0 HZ3 LYS A 167 8.645 3.844 0.745 -0.81 0.02 H new ATOM 142 N PRO A 168 13.165 -2.882 1.946 -0.36 0.02 N ATOM 143 CA PRO A 168 13.293 -4.340 1.914 1.00 0.02 C ATOM 144 C PRO A 168 12.007 -5.045 1.482 0.48 0.02 C ATOM 145 O PRO A 168 11.928 -6.273 1.511 -0.48 0.02 O ATOM 146 CB PRO A 168 13.626 -4.680 3.364 -0.20 0.02 C ATOM 147 CG PRO A 168 12.934 -3.628 4.162 -0.20 0.02 C ATOM 148 CD PRO A 168 12.934 -2.380 3.315 0.06 0.02 C ATOM 0 HA PRO A 168 14.039 -4.668 1.190 1.00 0.02 H new ATOM 0 HB2 PRO A 168 13.273 -5.676 3.629 -0.20 0.02 H new ATOM 0 HB3 PRO A 168 14.702 -4.667 3.538 -0.20 0.02 H new ATOM 0 HG2 PRO A 168 11.916 -3.932 4.405 -0.20 0.02 H new ATOM 0 HG3 PRO A 168 13.449 -3.456 5.107 -0.20 0.02 H new ATOM 0 HD2 PRO A 168 11.987 -1.846 3.390 0.06 0.02 H new ATOM 0 HD3 PRO A 168 13.717 -1.687 3.624 0.06 0.02 H new ATOM 156 N SER A 169 11.001 -4.269 1.086 -0.36 0.02 N ATOM 157 CA SER A 169 9.728 -4.837 0.654 1.00 0.02 C ATOM 158 C SER A 169 9.128 -4.031 -0.496 0.48 0.02 C ATOM 159 O SER A 169 7.969 -3.619 -0.441 -0.48 0.02 O ATOM 160 CB SER A 169 8.746 -4.887 1.828 0.08 0.02 C ATOM 161 OG SER A 169 7.481 -5.375 1.414 -0.68 0.02 O ATOM 0 H SER A 169 11.043 -3.250 1.055 -0.36 0.02 H new ATOM 0 HA SER A 169 9.914 -5.851 0.299 1.00 0.02 H new ATOM 0 HB2 SER A 169 9.147 -5.527 2.614 0.08 0.02 H new ATOM 0 HB3 SER A 169 8.633 -3.890 2.255 0.08 0.02 H new ATOM 0 HG SER A 169 7.146 -4.828 0.673 -0.68 0.02 H new ATOM 167 N ILE A 170 9.923 -3.813 -1.538 -0.36 0.02 N ATOM 168 CA ILE A 170 9.468 -3.061 -2.702 1.00 0.02 C ATOM 169 C ILE A 170 9.071 -3.987 -3.837 0.48 0.02 C ATOM 170 O ILE A 170 7.901 -4.334 -3.994 -0.48 0.02 O ATOM 171 CB ILE A 170 10.559 -2.107 -3.224 -0.10 0.02 C ATOM 172 CG1 ILE A 170 11.022 -1.172 -2.115 -0.20 0.02 C ATOM 173 CG2 ILE A 170 10.058 -1.310 -4.409 -0.30 0.02 C ATOM 174 CD1 ILE A 170 9.982 -0.136 -1.763 -0.30 0.02 C ATOM 0 H ILE A 170 10.885 -4.146 -1.601 -0.36 0.02 H new ATOM 0 HA ILE A 170 8.604 -2.484 -2.373 1.00 0.02 H new ATOM 0 HB ILE A 170 11.407 -2.708 -3.552 -0.10 0.02 H new ATOM 0 HG12 ILE A 170 11.263 -1.757 -1.227 -0.20 0.02 H new ATOM 0 HG13 ILE A 170 11.939 -0.671 -2.425 -0.20 0.02 H new ATOM 0 HG21 ILE A 170 10.847 -0.644 -4.759 -0.30 0.02 H new ATOM 0 HG22 ILE A 170 9.775 -1.991 -5.212 -0.30 0.02 H new ATOM 0 HG23 ILE A 170 9.191 -0.720 -4.111 -0.30 0.02 H new ATOM 0 HD11 ILE A 170 10.362 0.505 -0.967 -0.30 0.02 H new ATOM 0 HD12 ILE A 170 9.759 0.469 -2.642 -0.30 0.02 H new ATOM 0 HD13 ILE A 170 9.073 -0.633 -1.425 -0.30 0.02 H new ATOM 186 N CYS A 171 10.057 -4.368 -4.643 -0.36 0.02 N ATOM 187 CA CYS A 171 9.813 -5.226 -5.772 1.00 0.02 C ATOM 188 C CYS A 171 11.110 -5.897 -6.233 0.48 0.02 C ATOM 189 O CYS A 171 11.489 -5.810 -7.400 -0.48 0.02 O ATOM 190 CB CYS A 171 9.158 -4.402 -6.886 0.20 0.02 C ATOM 191 SG CYS A 171 8.988 -5.260 -8.488 -0.20 0.02 S ATOM 0 H CYS A 171 11.031 -4.089 -4.526 -0.36 0.02 H new ATOM 0 HA CYS A 171 9.132 -6.030 -5.491 1.00 0.02 H new ATOM 0 HB2 CYS A 171 8.168 -4.090 -6.552 0.20 0.02 H new ATOM 0 HB3 CYS A 171 9.743 -3.495 -7.038 0.20 0.02 H new ATOM 196 N GLY A 172 11.776 -6.573 -5.285 -0.36 0.02 N ATOM 197 CA GLY A 172 13.031 -7.279 -5.554 -0.10 0.02 C ATOM 198 C GLY A 172 13.692 -6.884 -6.861 0.48 0.02 C ATOM 199 O GLY A 172 13.927 -7.732 -7.722 -0.48 0.02 O ATOM 0 H GLY A 172 11.460 -6.644 -4.318 -0.36 0.02 H new ATOM 0 HA2 GLY A 172 13.725 -7.090 -4.735 -0.10 0.02 H new ATOM 0 HA3 GLY A 172 12.837 -8.352 -5.566 -0.10 0.02 H new ATOM 203 N THR A 173 13.991 -5.590 -6.995 -0.36 0.02 N ATOM 204 CA THR A 173 14.627 -5.033 -8.187 1.00 0.02 C ATOM 205 C THR A 173 14.380 -5.902 -9.421 0.48 0.02 C ATOM 206 O THR A 173 15.299 -6.202 -10.183 -0.48 0.02 O ATOM 207 CB THR A 173 16.121 -4.847 -7.937 0.18 0.02 C ATOM 208 OG1 THR A 173 16.406 -4.899 -6.550 -0.68 0.02 O ATOM 209 CG2 THR A 173 16.661 -3.531 -8.466 -0.30 0.02 C ATOM 0 H THR A 173 13.797 -4.896 -6.273 -0.36 0.02 H new ATOM 0 HA THR A 173 14.178 -4.061 -8.390 1.00 0.02 H new ATOM 0 HB THR A 173 16.606 -5.662 -8.474 0.18 0.02 H new ATOM 0 HG1 THR A 173 17.368 -4.780 -6.409 -0.68 0.02 H new ATOM 0 HG21 THR A 173 17.728 -3.464 -8.255 -0.30 0.02 H new ATOM 0 HG22 THR A 173 16.500 -3.478 -9.543 -0.30 0.02 H new ATOM 0 HG23 THR A 173 16.143 -2.704 -7.981 -0.30 0.02 H new ATOM 217 N ALA A 174 13.122 -6.298 -9.600 -0.36 0.02 N ATOM 218 CA ALA A 174 12.719 -7.131 -10.726 1.00 0.02 C ATOM 219 C ALA A 174 12.562 -6.285 -11.983 0.48 0.02 C ATOM 220 O ALA A 174 13.341 -6.393 -12.930 -0.48 0.02 O ATOM 221 CB ALA A 174 11.409 -7.843 -10.394 -0.30 0.02 C ATOM 0 H ALA A 174 12.358 -6.051 -8.971 -0.36 0.02 H new ATOM 0 HA ALA A 174 13.492 -7.877 -10.912 1.00 0.02 H new ATOM 0 HB1 ALA A 174 11.109 -8.465 -11.237 -0.30 0.02 H new ATOM 0 HB2 ALA A 174 11.548 -8.469 -9.512 -0.30 0.02 H new ATOM 0 HB3 ALA A 174 10.633 -7.104 -10.195 -0.30 0.02 H new ATOM 227 N VAL A 175 11.553 -5.434 -11.961 -0.36 0.02 N ATOM 228 CA VAL A 175 11.255 -4.531 -13.064 1.00 0.02 C ATOM 229 C VAL A 175 10.437 -3.365 -12.533 0.48 0.02 C ATOM 230 O VAL A 175 9.490 -2.900 -13.168 -0.48 0.02 O ATOM 231 CB VAL A 175 10.470 -5.241 -14.186 -0.10 0.02 C ATOM 232 CG1 VAL A 175 10.233 -4.300 -15.357 -0.30 0.02 C ATOM 233 CG2 VAL A 175 11.204 -6.493 -14.641 -0.30 0.02 C ATOM 0 H VAL A 175 10.911 -5.347 -11.173 -0.36 0.02 H new ATOM 0 HA VAL A 175 12.196 -4.181 -13.488 1.00 0.02 H new ATOM 0 HB VAL A 175 9.499 -5.538 -13.789 -0.10 0.02 H new ATOM 0 HG11 VAL A 175 9.678 -4.822 -16.136 -0.30 0.02 H new ATOM 0 HG12 VAL A 175 9.660 -3.436 -15.020 -0.30 0.02 H new ATOM 0 HG13 VAL A 175 11.191 -3.966 -15.755 -0.30 0.02 H new ATOM 0 HG21 VAL A 175 10.635 -6.981 -15.433 -0.30 0.02 H new ATOM 0 HG22 VAL A 175 12.190 -6.220 -15.018 -0.30 0.02 H new ATOM 0 HG23 VAL A 175 11.314 -7.177 -13.799 -0.30 0.02 H new ATOM 243 N CYS A 176 10.795 -2.932 -11.332 -0.36 0.02 N ATOM 244 CA CYS A 176 10.099 -1.865 -10.657 1.00 0.02 C ATOM 245 C CYS A 176 10.506 -0.481 -11.143 0.48 0.02 C ATOM 246 O CYS A 176 11.652 -0.062 -10.982 -0.48 0.02 O ATOM 247 CB CYS A 176 10.371 -1.970 -9.162 0.20 0.02 C ATOM 248 SG CYS A 176 12.138 -1.903 -8.718 -0.20 0.02 S ATOM 0 H CYS A 176 11.579 -3.317 -10.804 -0.36 0.02 H new ATOM 0 HA CYS A 176 9.038 -1.979 -10.879 1.00 0.02 H new ATOM 0 HB2 CYS A 176 9.849 -1.161 -8.651 0.20 0.02 H new ATOM 0 HB3 CYS A 176 9.950 -2.905 -8.792 0.20 0.02 H new ATOM 253 N LYS A 177 9.537 0.246 -11.684 -0.36 0.02 N ATOM 254 CA LYS A 177 9.764 1.607 -12.130 1.00 0.02 C ATOM 255 C LYS A 177 9.571 2.531 -10.935 0.48 0.02 C ATOM 256 O LYS A 177 8.442 2.870 -10.575 -0.48 0.02 O ATOM 257 CB LYS A 177 8.798 1.976 -13.259 -0.20 0.02 C ATOM 258 CG LYS A 177 9.484 2.190 -14.600 -0.20 0.02 C ATOM 259 CD LYS A 177 9.014 3.470 -15.272 -0.20 0.02 C ATOM 260 CE LYS A 177 10.059 4.009 -16.236 0.30 5.02 C ATOM 261 NZ LYS A 177 11.260 4.523 -15.522 -0.81 0.02 N ATOM 0 H LYS A 177 8.584 -0.089 -11.823 -0.36 0.02 H new ATOM 0 HA LYS A 177 10.776 1.707 -12.523 1.00 0.02 H new ATOM 0 HB2 LYS A 177 8.054 1.186 -13.363 -0.20 0.02 H new ATOM 0 HB3 LYS A 177 8.262 2.885 -12.985 -0.20 0.02 H new ATOM 0 HG2 LYS A 177 10.564 2.230 -14.455 -0.20 0.02 H new ATOM 0 HG3 LYS A 177 9.282 1.341 -15.252 -0.20 0.02 H new ATOM 0 HD2 LYS A 177 8.085 3.280 -15.810 -0.20 0.02 H new ATOM 0 HD3 LYS A 177 8.795 4.221 -14.513 -0.20 0.02 H new ATOM 0 HE2 LYS A 177 10.357 3.220 -16.927 0.30 5.02 H new ATOM 0 HE3 LYS A 177 9.623 4.809 -16.835 0.30 5.02 H new ATOM 0 HZ1 LYS A 177 11.774 5.184 -16.139 -0.81 0.02 H new ATOM 0 HZ2 LYS A 177 10.964 5.017 -14.656 -0.81 0.02 H new ATOM 0 HZ3 LYS A 177 11.882 3.728 -15.272 -0.81 0.02 H new ATOM 275 N ASN A 178 10.672 2.892 -10.291 -0.36 0.02 N ATOM 276 CA ASN A 178 10.616 3.735 -9.107 1.00 0.01 C ATOM 277 C ASN A 178 10.789 5.208 -9.445 0.48 0.02 C ATOM 278 O ASN A 178 11.205 5.566 -10.547 -0.48 0.02 O ATOM 279 CB ASN A 178 11.685 3.302 -8.107 -0.20 0.01 C ATOM 280 CG ASN A 178 11.432 3.843 -6.714 0.48 0.01 C ATOM 281 OD1 ASN A 178 11.722 5.004 -6.424 -0.48 0.01 O ATOM 282 ND2 ASN A 178 10.890 3.001 -5.842 -0.52 0.01 N ATOM 0 H ASN A 178 11.613 2.614 -10.569 -0.36 0.02 H new ATOM 0 HA ASN A 178 9.627 3.613 -8.665 1.00 0.01 H new ATOM 0 HB2 ASN A 178 11.722 2.213 -8.069 -0.20 0.01 H new ATOM 0 HB3 ASN A 178 12.661 3.642 -8.453 -0.20 0.01 H new ATOM 0 HD21 ASN A 178 10.698 3.308 -4.888 -0.52 0.01 H new ATOM 0 HD22 ASN A 178 10.666 2.047 -6.126 -0.52 0.01 H new ATOM 289 N ILE A 179 10.460 6.054 -8.477 -0.36 0.01 N ATOM 290 CA ILE A 179 10.566 7.493 -8.639 1.00 0.01 C ATOM 291 C ILE A 179 11.108 8.131 -7.356 0.48 0.01 C ATOM 292 O ILE A 179 11.241 7.453 -6.334 -0.48 0.01 O ATOM 293 CB ILE A 179 9.196 8.096 -9.011 -0.10 0.01 C ATOM 294 CG1 ILE A 179 8.176 7.844 -7.895 -0.20 0.02 C ATOM 295 CG2 ILE A 179 8.715 7.499 -10.327 -0.30 0.02 C ATOM 296 CD1 ILE A 179 6.735 7.974 -8.344 -0.30 5.62 C ATOM 0 H ILE A 179 10.114 5.761 -7.563 -0.36 0.01 H new ATOM 0 HA ILE A 179 11.262 7.704 -9.451 1.00 0.01 H new ATOM 0 HB ILE A 179 9.302 9.174 -9.131 -0.10 0.01 H new ATOM 0 HG12 ILE A 179 8.332 6.844 -7.492 -0.20 0.02 H new ATOM 0 HG13 ILE A 179 8.359 8.547 -7.083 -0.20 0.02 H new ATOM 0 HG21 ILE A 179 7.747 7.926 -10.588 -0.30 0.02 H new ATOM 0 HG22 ILE A 179 9.435 7.724 -11.114 -0.30 0.02 H new ATOM 0 HG23 ILE A 179 8.618 6.418 -10.222 -0.30 0.02 H new ATOM 0 HD11 ILE A 179 6.072 7.782 -7.500 -0.30 5.62 H new ATOM 0 HD12 ILE A 179 6.561 8.982 -8.720 -0.30 5.62 H new ATOM 0 HD13 ILE A 179 6.534 7.252 -9.135 -0.30 5.62 H new ATOM 308 N PRO A 180 11.455 9.434 -7.393 -0.36 0.01 N ATOM 309 CA PRO A 180 12.008 10.147 -6.237 1.00 0.01 C ATOM 310 C PRO A 180 11.386 9.750 -4.900 0.48 0.01 C ATOM 311 O PRO A 180 12.046 9.814 -3.863 -0.48 0.02 O ATOM 312 CB PRO A 180 11.699 11.600 -6.571 -0.20 0.01 C ATOM 313 CG PRO A 180 11.821 11.663 -8.055 -0.20 0.02 C ATOM 314 CD PRO A 180 11.363 10.321 -8.574 0.06 0.01 C ATOM 0 HA PRO A 180 13.066 9.924 -6.095 1.00 0.01 H new ATOM 0 HB2 PRO A 180 10.699 11.882 -6.240 -0.20 0.01 H new ATOM 0 HB3 PRO A 180 12.399 12.279 -6.084 -0.20 0.01 H new ATOM 0 HG2 PRO A 180 11.208 12.467 -8.462 -0.20 0.02 H new ATOM 0 HG3 PRO A 180 12.850 11.865 -8.353 -0.20 0.02 H new ATOM 0 HD2 PRO A 180 10.345 10.368 -8.960 0.06 0.01 H new ATOM 0 HD3 PRO A 180 11.997 9.970 -9.388 0.06 0.01 H new ATOM 322 N GLY A 181 10.124 9.346 -4.921 -0.36 0.02 N ATOM 323 CA GLY A 181 9.464 8.955 -3.686 -0.10 0.02 C ATOM 324 C GLY A 181 8.238 8.087 -3.900 0.48 0.02 C ATOM 325 O GLY A 181 7.163 8.381 -3.376 -0.48 0.02 O ATOM 0 H GLY A 181 9.548 9.281 -5.760 -0.36 0.02 H new ATOM 0 HA2 GLY A 181 10.175 8.417 -3.059 -0.10 0.02 H new ATOM 0 HA3 GLY A 181 9.173 9.852 -3.140 -0.10 0.02 H new ATOM 329 N ASP A 182 8.400 7.009 -4.657 -0.36 0.02 N ATOM 330 CA ASP A 182 7.305 6.086 -4.925 1.00 0.02 C ATOM 331 C ASP A 182 7.830 4.879 -5.686 0.48 0.02 C ATOM 332 O ASP A 182 9.039 4.710 -5.817 -0.48 0.02 O ATOM 333 CB ASP A 182 6.190 6.776 -5.710 -0.45 0.02 C ATOM 334 CG ASP A 182 4.862 6.743 -4.978 0.49 0.02 C ATOM 335 OD1 ASP A 182 4.221 5.671 -4.959 -0.62 0.02 O ATOM 336 OD2 ASP A 182 4.463 7.789 -4.425 -0.62 0.02 O ATOM 0 H ASP A 182 9.283 6.752 -5.098 -0.36 0.02 H new ATOM 0 HA ASP A 182 6.885 5.753 -3.976 1.00 0.02 H new ATOM 0 HB2 ASP A 182 6.471 7.812 -5.901 -0.45 0.02 H new ATOM 0 HB3 ASP A 182 6.079 6.292 -6.680 -0.45 0.02 H new ATOM 341 N PHE A 183 6.933 4.037 -6.184 -0.36 0.02 N ATOM 342 CA PHE A 183 7.366 2.853 -6.918 1.00 0.02 C ATOM 343 C PHE A 183 6.243 2.201 -7.719 0.48 0.02 C ATOM 344 O PHE A 183 5.059 2.363 -7.423 -0.48 0.02 O ATOM 345 CB PHE A 183 7.964 1.820 -5.945 -0.16 0.02 C ATOM 346 CG PHE A 183 7.029 0.684 -5.591 0.03 0.02 C ATOM 347 CD1 PHE A 183 5.729 0.940 -5.177 -0.16 0.02 C ATOM 348 CD2 PHE A 183 7.448 -0.638 -5.678 -0.16 0.02 C ATOM 349 CE1 PHE A 183 4.868 -0.096 -4.860 -0.15 0.02 C ATOM 350 CE2 PHE A 183 6.589 -1.676 -5.360 -0.15 0.02 C ATOM 351 CZ PHE A 183 5.299 -1.403 -4.952 -0.15 0.02 C ATOM 0 H PHE A 183 5.923 4.147 -6.097 -0.36 0.02 H new ATOM 0 HA PHE A 183 8.119 3.188 -7.631 1.00 0.02 H new ATOM 0 HB2 PHE A 183 8.870 1.405 -6.386 -0.16 0.02 H new ATOM 0 HB3 PHE A 183 8.260 2.330 -5.029 -0.16 0.02 H new ATOM 0 HD1 PHE A 183 5.385 1.961 -5.101 -0.16 0.02 H new ATOM 0 HD2 PHE A 183 8.456 -0.858 -5.998 -0.16 0.02 H new ATOM 0 HE1 PHE A 183 3.859 0.119 -4.541 -0.15 0.02 H new ATOM 0 HE2 PHE A 183 6.928 -2.699 -5.431 -0.15 0.02 H new ATOM 0 HZ PHE A 183 4.628 -2.212 -4.705 -0.15 0.02 H new ATOM 361 N GLU A 184 6.657 1.418 -8.706 -0.36 0.02 N ATOM 362 CA GLU A 184 5.748 0.662 -9.551 1.00 0.02 C ATOM 363 C GLU A 184 6.396 -0.680 -9.862 0.48 0.02 C ATOM 364 O GLU A 184 7.557 -0.728 -10.246 -0.48 0.02 O ATOM 365 CB GLU A 184 5.434 1.422 -10.837 -0.20 0.02 C ATOM 366 CG GLU A 184 4.514 2.611 -10.619 -0.45 0.02 C ATOM 367 CD GLU A 184 4.856 3.788 -11.512 0.49 0.02 C ATOM 368 OE1 GLU A 184 6.031 3.901 -11.922 -0.62 0.02 O ATOM 369 OE2 GLU A 184 3.949 4.597 -11.800 -0.62 0.02 O ATOM 0 H GLU A 184 7.641 1.290 -8.943 -0.36 0.02 H new ATOM 0 HA GLU A 184 4.802 0.509 -9.031 1.00 0.02 H new ATOM 0 HB2 GLU A 184 6.366 1.769 -11.283 -0.20 0.02 H new ATOM 0 HB3 GLU A 184 4.973 0.740 -11.551 -0.20 0.02 H new ATOM 0 HG2 GLU A 184 3.484 2.307 -10.805 -0.45 0.02 H new ATOM 0 HG3 GLU A 184 4.571 2.923 -9.576 -0.45 0.02 H new ATOM 376 N CYS A 185 5.669 -1.768 -9.661 -0.36 0.02 N ATOM 377 CA CYS A 185 6.228 -3.095 -9.894 1.00 0.02 C ATOM 378 C CYS A 185 5.439 -3.862 -10.948 0.48 0.02 C ATOM 379 O CYS A 185 4.240 -3.653 -11.127 -0.48 0.02 O ATOM 380 CB CYS A 185 6.266 -3.878 -8.576 0.20 0.02 C ATOM 381 SG CYS A 185 6.989 -5.549 -8.698 -0.20 0.02 S ATOM 0 H CYS A 185 4.701 -1.762 -9.341 -0.36 0.02 H new ATOM 0 HA CYS A 185 7.243 -2.974 -10.273 1.00 0.02 H new ATOM 0 HB2 CYS A 185 6.835 -3.304 -7.845 0.20 0.02 H new ATOM 0 HB3 CYS A 185 5.250 -3.965 -8.192 0.20 0.02 H new ATOM 386 N GLU A 186 6.139 -4.756 -11.636 -0.36 0.02 N ATOM 387 CA GLU A 186 5.541 -5.583 -12.681 1.00 0.02 C ATOM 388 C GLU A 186 4.673 -6.690 -12.086 0.48 0.02 C ATOM 389 O GLU A 186 4.092 -7.497 -12.812 -0.48 0.02 O ATOM 390 CB GLU A 186 6.641 -6.207 -13.532 -0.20 0.02 C ATOM 391 CG GLU A 186 6.296 -6.298 -15.009 -0.45 0.02 C ATOM 392 CD GLU A 186 6.828 -7.563 -15.656 0.49 0.02 C ATOM 393 OE1 GLU A 186 7.675 -8.238 -15.033 -0.62 0.02 O ATOM 394 OE2 GLU A 186 6.398 -7.878 -16.786 -0.62 0.02 O ATOM 0 H GLU A 186 7.133 -4.929 -11.487 -0.36 0.02 H new ATOM 0 HA GLU A 186 4.908 -4.944 -13.296 1.00 0.02 H new ATOM 0 HB2 GLU A 186 7.553 -5.621 -13.417 -0.20 0.02 H new ATOM 0 HB3 GLU A 186 6.855 -7.207 -13.156 -0.20 0.02 H new ATOM 0 HG2 GLU A 186 5.213 -6.261 -15.128 -0.45 0.02 H new ATOM 0 HG3 GLU A 186 6.703 -5.430 -15.528 -0.45 0.02 H new ATOM 401 N CYS A 187 4.595 -6.723 -10.763 -0.36 0.02 N ATOM 402 CA CYS A 187 3.809 -7.724 -10.060 1.00 0.02 C ATOM 403 C CYS A 187 2.327 -7.518 -10.329 0.48 0.02 C ATOM 404 O CYS A 187 1.931 -6.489 -10.868 -0.48 0.02 O ATOM 405 CB CYS A 187 4.092 -7.653 -8.563 0.20 0.02 C ATOM 406 SG CYS A 187 5.417 -8.764 -7.990 -0.20 0.02 S ATOM 0 H CYS A 187 5.072 -6.061 -10.151 -0.36 0.02 H new ATOM 0 HA CYS A 187 4.091 -8.712 -10.424 1.00 0.02 H new ATOM 0 HB2 CYS A 187 4.358 -6.628 -8.305 0.20 0.02 H new ATOM 0 HB3 CYS A 187 3.176 -7.891 -8.021 0.20 0.02 H new ATOM 411 N PRO A 188 1.499 -8.521 -9.991 -0.36 0.02 N ATOM 412 CA PRO A 188 0.049 -8.489 -10.221 1.00 0.02 C ATOM 413 C PRO A 188 -0.644 -7.200 -9.773 0.48 0.02 C ATOM 414 O PRO A 188 -1.551 -7.238 -8.943 -0.48 0.02 O ATOM 415 CB PRO A 188 -0.458 -9.671 -9.395 -0.20 0.02 C ATOM 416 CG PRO A 188 0.677 -10.632 -9.387 -0.20 0.02 C ATOM 417 CD PRO A 188 1.927 -9.799 -9.388 0.06 0.02 C ATOM 0 HA PRO A 188 -0.170 -8.540 -11.288 1.00 0.02 H new ATOM 0 HB2 PRO A 188 -0.725 -9.363 -8.384 -0.20 0.02 H new ATOM 0 HB3 PRO A 188 -1.350 -10.113 -9.840 -0.20 0.02 H new ATOM 0 HG2 PRO A 188 0.637 -11.275 -8.508 -0.20 0.02 H new ATOM 0 HG3 PRO A 188 0.642 -11.284 -10.260 -0.20 0.02 H new ATOM 0 HD2 PRO A 188 2.313 -9.656 -8.379 0.06 0.02 H new ATOM 0 HD3 PRO A 188 2.721 -10.269 -9.969 0.06 0.02 H new ATOM 425 N GLU A 189 -0.245 -6.064 -10.346 -0.36 0.02 N ATOM 426 CA GLU A 189 -0.862 -4.775 -10.023 1.00 0.02 C ATOM 427 C GLU A 189 -0.561 -4.342 -8.626 0.48 0.02 C ATOM 428 O GLU A 189 -1.236 -4.740 -7.675 -0.48 0.02 O ATOM 429 CB GLU A 189 -2.365 -4.840 -10.185 -0.20 0.02 C ATOM 430 CG GLU A 189 -2.775 -5.946 -11.104 -0.45 0.02 C ATOM 431 CD GLU A 189 -4.029 -5.637 -11.898 0.49 0.02 C ATOM 432 OE1 GLU A 189 -5.093 -5.437 -11.275 -0.62 0.02 O ATOM 433 OE2 GLU A 189 -3.948 -5.597 -13.144 -0.62 0.02 O ATOM 0 H GLU A 189 0.503 -6.009 -11.037 -0.36 0.02 H new ATOM 0 HA GLU A 189 -0.438 -4.051 -10.719 1.00 0.02 H new ATOM 0 HB2 GLU A 189 -2.830 -4.986 -9.210 -0.20 0.02 H new ATOM 0 HB3 GLU A 189 -2.731 -3.890 -10.574 -0.20 0.02 H new ATOM 0 HG2 GLU A 189 -1.959 -6.155 -11.795 -0.45 0.02 H new ATOM 0 HG3 GLU A 189 -2.938 -6.852 -10.520 -0.45 0.02 H new ATOM 440 N GLY A 190 0.441 -3.519 -8.500 -0.36 0.02 N ATOM 441 CA GLY A 190 0.811 -3.026 -7.203 -0.10 0.02 C ATOM 442 C GLY A 190 1.439 -4.086 -6.333 0.48 0.02 C ATOM 443 O GLY A 190 2.192 -3.760 -5.422 -0.48 0.02 O ATOM 0 H GLY A 190 1.013 -3.177 -9.272 -0.36 0.02 H new ATOM 0 HA2 GLY A 190 1.509 -2.197 -7.320 -0.10 0.02 H new ATOM 0 HA3 GLY A 190 -0.073 -2.630 -6.704 -0.10 0.02 H new ATOM 447 N TYR A 191 1.181 -5.365 -6.615 -0.36 0.02 N ATOM 448 CA TYR A 191 1.786 -6.413 -5.813 1.00 0.02 C ATOM 449 C TYR A 191 3.276 -6.150 -5.697 0.48 0.02 C ATOM 450 O TYR A 191 3.947 -5.860 -6.679 -0.48 0.02 O ATOM 451 CB TYR A 191 1.526 -7.788 -6.431 -0.20 0.02 C ATOM 452 CG TYR A 191 0.302 -8.491 -5.889 1.00 0.02 C ATOM 453 CD1 TYR A 191 -0.975 -8.060 -6.225 -0.14 0.02 C ATOM 454 CD2 TYR A 191 0.423 -9.590 -5.048 -0.14 0.02 C ATOM 455 CE1 TYR A 191 -2.096 -8.703 -5.738 -0.14 0.02 C ATOM 456 CE2 TYR A 191 -0.694 -10.239 -4.558 -0.14 0.02 C ATOM 457 CZ TYR A 191 -1.951 -9.792 -4.905 0.20 0.02 C ATOM 458 OH TYR A 191 -3.065 -10.436 -4.420 -0.60 0.02 O ATOM 0 H TYR A 191 0.575 -5.687 -7.370 -0.36 0.02 H new ATOM 0 HA TYR A 191 1.339 -6.409 -4.819 1.00 0.02 H new ATOM 0 HB2 TYR A 191 1.418 -7.674 -7.510 -0.20 0.02 H new ATOM 0 HB3 TYR A 191 2.398 -8.420 -6.263 -0.20 0.02 H new ATOM 0 HD1 TYR A 191 -1.093 -7.208 -6.878 -0.14 0.02 H new ATOM 0 HD2 TYR A 191 1.406 -9.943 -4.773 -0.14 0.02 H new ATOM 0 HE1 TYR A 191 -3.082 -8.354 -6.008 -0.14 0.02 H new ATOM 0 HE2 TYR A 191 -0.583 -11.093 -3.906 -0.14 0.02 H new ATOM 0 HH TYR A 191 -2.806 -11.308 -4.054 -0.60 0.02 H new ATOM 468 N ARG A 192 3.771 -6.188 -4.484 -0.36 0.02 N ATOM 469 CA ARG A 192 5.184 -5.894 -4.234 1.00 0.02 C ATOM 470 C ARG A 192 6.037 -7.160 -4.317 0.48 0.02 C ATOM 471 O ARG A 192 5.791 -8.139 -3.618 -0.48 0.02 O ATOM 472 CB ARG A 192 5.352 -5.255 -2.853 -0.20 0.02 C ATOM 473 CG ARG A 192 5.147 -3.748 -2.844 -0.20 0.02 C ATOM 474 CD ARG A 192 5.202 -3.185 -1.431 -0.10 0.02 C ATOM 475 NE ARG A 192 6.114 -2.046 -1.327 -0.60 0.02 N ATOM 476 CZ ARG A 192 5.733 -0.772 -1.414 0.60 0.02 C ATOM 477 NH1 ARG A 192 4.460 -0.459 -1.624 -0.60 0.02 N ATOM 478 NH2 ARG A 192 6.632 0.195 -1.292 -0.60 0.02 N ATOM 0 H ARG A 192 3.230 -6.417 -3.650 -0.36 0.02 H new ATOM 0 HA ARG A 192 5.521 -5.199 -5.003 1.00 0.02 H new ATOM 0 HB2 ARG A 192 4.643 -5.713 -2.163 -0.20 0.02 H new ATOM 0 HB3 ARG A 192 6.351 -5.478 -2.479 -0.20 0.02 H new ATOM 0 HG2 ARG A 192 5.913 -3.272 -3.456 -0.20 0.02 H new ATOM 0 HG3 ARG A 192 4.184 -3.508 -3.295 -0.20 0.02 H new ATOM 0 HD2 ARG A 192 4.202 -2.877 -1.125 -0.10 0.02 H new ATOM 0 HD3 ARG A 192 5.520 -3.967 -0.742 -0.10 0.02 H new ATOM 0 HE ARG A 192 7.104 -2.239 -1.178 -0.60 0.02 H new ATOM 0 HH11 ARG A 192 3.763 -1.197 -1.720 -0.60 0.02 H new ATOM 0 HH12 ARG A 192 4.179 0.520 -1.689 -0.60 0.02 H new ATOM 0 HH21 ARG A 192 7.612 -0.037 -1.132 -0.60 0.02 H new ATOM 0 HH22 ARG A 192 6.343 1.171 -1.358 -0.60 0.02 H new ATOM 492 N TYR A 193 7.045 -7.128 -5.187 -0.36 0.02 N ATOM 493 CA TYR A 193 7.939 -8.260 -5.390 1.00 0.02 C ATOM 494 C TYR A 193 9.052 -8.306 -4.348 0.48 0.02 C ATOM 495 O TYR A 193 9.410 -7.290 -3.753 -0.48 0.02 O ATOM 496 CB TYR A 193 8.553 -8.167 -6.783 -0.20 0.02 C ATOM 497 CG TYR A 193 9.258 -9.419 -7.223 1.00 0.02 C ATOM 498 CD1 TYR A 193 8.569 -10.430 -7.867 -0.14 0.02 C ATOM 499 CD2 TYR A 193 10.616 -9.579 -7.006 -0.14 0.02 C ATOM 500 CE1 TYR A 193 9.213 -11.575 -8.285 -0.14 0.02 C ATOM 501 CE2 TYR A 193 11.274 -10.716 -7.424 -0.14 0.02 C ATOM 502 CZ TYR A 193 10.568 -11.714 -8.064 0.20 0.02 C ATOM 503 OH TYR A 193 11.220 -12.846 -8.492 -0.60 0.02 O ATOM 0 H TYR A 193 7.262 -6.318 -5.768 -0.36 0.02 H new ATOM 0 HA TYR A 193 7.353 -9.173 -5.287 1.00 0.02 H new ATOM 0 HB2 TYR A 193 7.767 -7.933 -7.501 -0.20 0.02 H new ATOM 0 HB3 TYR A 193 9.260 -7.338 -6.803 -0.20 0.02 H new ATOM 0 HD1 TYR A 193 7.509 -10.321 -8.045 -0.14 0.02 H new ATOM 0 HD2 TYR A 193 11.169 -8.801 -6.501 -0.14 0.02 H new ATOM 0 HE1 TYR A 193 8.660 -12.358 -8.782 -0.14 0.02 H new ATOM 0 HE2 TYR A 193 12.335 -10.825 -7.252 -0.14 0.02 H new ATOM 0 HH TYR A 193 10.586 -13.433 -8.954 -0.60 0.02 H new ATOM 513 N ASN A 194 9.593 -9.501 -4.135 -0.36 0.02 N ATOM 514 CA ASN A 194 10.666 -9.696 -3.170 1.00 0.02 C ATOM 515 C ASN A 194 11.819 -10.489 -3.781 0.48 0.02 C ATOM 516 O ASN A 194 11.620 -11.585 -4.308 -0.48 0.02 O ATOM 517 CB ASN A 194 10.136 -10.427 -1.938 -0.20 0.02 C ATOM 518 CG ASN A 194 10.626 -9.810 -0.643 0.48 0.02 C ATOM 519 OD1 ASN A 194 10.849 -8.603 -0.563 -0.48 0.02 O ATOM 520 ND2 ASN A 194 10.797 -10.639 0.380 -0.52 0.02 N ATOM 0 H ASN A 194 9.304 -10.351 -4.620 -0.36 0.02 H new ATOM 0 HA ASN A 194 11.040 -8.714 -2.879 1.00 0.02 H new ATOM 0 HB2 ASN A 194 9.046 -10.415 -1.953 -0.20 0.02 H new ATOM 0 HB3 ASN A 194 10.444 -11.472 -1.979 -0.20 0.02 H new ATOM 0 HD21 ASN A 194 11.126 -10.281 1.277 -0.52 0.02 H new ATOM 0 HD22 ASN A 194 10.600 -11.634 0.269 -0.52 0.02 H new ATOM 527 N LEU A 195 13.025 -9.933 -3.697 -0.36 0.02 N ATOM 528 CA LEU A 195 14.212 -10.593 -4.231 1.00 0.02 C ATOM 529 C LEU A 195 14.664 -11.726 -3.310 0.48 0.02 C ATOM 530 O LEU A 195 15.505 -12.545 -3.681 -0.48 0.02 O ATOM 531 CB LEU A 195 15.347 -9.582 -4.409 -0.20 0.02 C ATOM 532 CG LEU A 195 16.602 -10.129 -5.096 -0.10 0.02 C ATOM 533 CD1 LEU A 195 16.717 -9.588 -6.513 -0.30 0.02 C ATOM 534 CD2 LEU A 195 17.846 -9.783 -4.290 -0.30 0.02 C ATOM 0 H LEU A 195 13.205 -9.027 -3.264 -0.36 0.02 H new ATOM 0 HA LEU A 195 13.957 -11.017 -5.202 1.00 0.02 H new ATOM 0 HB2 LEU A 195 14.973 -8.738 -4.988 -0.20 0.02 H new ATOM 0 HB3 LEU A 195 15.627 -9.197 -3.428 -0.20 0.02 H new ATOM 0 HG LEU A 195 16.517 -11.214 -5.150 -0.10 0.02 H new ATOM 0 HD11 LEU A 195 17.615 -9.988 -6.984 -0.30 0.02 H new ATOM 0 HD12 LEU A 195 15.841 -9.887 -7.089 -0.30 0.02 H new ATOM 0 HD13 LEU A 195 16.777 -8.500 -6.483 -0.30 0.02 H new ATOM 0 HD21 LEU A 195 18.728 -10.180 -4.793 -0.30 0.02 H new ATOM 0 HD22 LEU A 195 17.934 -8.700 -4.204 -0.30 0.02 H new ATOM 0 HD23 LEU A 195 17.768 -10.221 -3.295 -0.30 0.02 H new ATOM 546 N LYS A 196 14.108 -11.762 -2.103 -0.36 0.02 N ATOM 547 CA LYS A 196 14.451 -12.783 -1.128 1.00 0.02 C ATOM 548 C LYS A 196 14.147 -14.163 -1.677 0.48 0.02 C ATOM 549 O LYS A 196 14.981 -15.067 -1.625 -0.48 0.02 O ATOM 550 CB LYS A 196 13.663 -12.559 0.161 -0.20 0.02 C ATOM 551 CG LYS A 196 14.465 -11.871 1.245 -0.20 0.02 C ATOM 552 CD LYS A 196 14.576 -10.374 0.995 -0.20 0.02 C ATOM 553 CE LYS A 196 15.971 -9.984 0.531 0.30 5.02 C ATOM 554 NZ LYS A 196 15.942 -9.273 -0.778 -0.81 0.02 N ATOM 0 H LYS A 196 13.413 -11.089 -1.778 -0.36 0.02 H new ATOM 0 HA LYS A 196 15.518 -12.715 -0.916 1.00 0.02 H new ATOM 0 HB2 LYS A 196 12.779 -11.961 -0.062 -0.20 0.02 H new ATOM 0 HB3 LYS A 196 13.311 -13.521 0.535 -0.20 0.02 H new ATOM 0 HG2 LYS A 196 13.994 -12.045 2.213 -0.20 0.02 H new ATOM 0 HG3 LYS A 196 15.463 -12.307 1.293 -0.20 0.02 H new ATOM 0 HD2 LYS A 196 13.845 -10.075 0.243 -0.20 0.02 H new ATOM 0 HD3 LYS A 196 14.332 -9.833 1.909 -0.20 0.02 H new ATOM 0 HE2 LYS A 196 16.438 -9.345 1.281 0.30 5.02 H new ATOM 0 HE3 LYS A 196 16.588 -10.878 0.445 0.30 5.02 H new ATOM 0 HZ1 LYS A 196 16.792 -9.518 -1.325 -0.81 0.02 H new ATOM 0 HZ2 LYS A 196 15.094 -9.558 -1.309 -0.81 0.02 H new ATOM 0 HZ3 LYS A 196 15.920 -8.246 -0.615 -0.81 0.02 H new ATOM 568 N SER A 197 12.940 -14.316 -2.200 -0.36 0.02 N ATOM 569 CA SER A 197 12.515 -15.590 -2.756 1.00 0.02 C ATOM 570 C SER A 197 12.226 -15.493 -4.248 0.48 0.02 C ATOM 571 O SER A 197 11.843 -16.480 -4.877 -0.48 0.02 O ATOM 572 CB SER A 197 11.280 -16.108 -2.017 0.08 0.02 C ATOM 573 OG SER A 197 11.648 -16.926 -0.919 -0.68 0.02 O ATOM 0 H SER A 197 12.240 -13.576 -2.251 -0.36 0.02 H new ATOM 0 HA SER A 197 13.338 -16.292 -2.623 1.00 0.02 H new ATOM 0 HB2 SER A 197 10.684 -15.266 -1.664 0.08 0.02 H new ATOM 0 HB3 SER A 197 10.653 -16.676 -2.704 0.08 0.02 H new ATOM 0 HG SER A 197 10.841 -17.243 -0.462 -0.68 0.02 H new ATOM 579 N LYS A 198 12.392 -14.305 -4.810 -0.36 0.02 N ATOM 580 CA LYS A 198 12.131 -14.087 -6.213 1.00 0.02 C ATOM 581 C LYS A 198 10.735 -14.526 -6.567 0.48 0.02 C ATOM 582 O LYS A 198 10.510 -15.439 -7.362 -0.48 0.02 O ATOM 583 CB LYS A 198 13.170 -14.762 -7.076 -0.20 0.02 C ATOM 584 CG LYS A 198 14.265 -13.792 -7.408 -0.20 0.02 C ATOM 585 CD LYS A 198 15.081 -13.471 -6.175 -0.20 0.02 C ATOM 586 CE LYS A 198 16.065 -14.582 -5.845 0.30 5.02 C ATOM 587 NZ LYS A 198 17.402 -14.045 -5.471 -0.81 0.02 N ATOM 0 H LYS A 198 12.709 -13.476 -4.307 -0.36 0.02 H new ATOM 0 HA LYS A 198 12.201 -13.018 -6.412 1.00 0.02 H new ATOM 0 HB2 LYS A 198 13.583 -15.626 -6.555 -0.20 0.02 H new ATOM 0 HB3 LYS A 198 12.710 -15.132 -7.992 -0.20 0.02 H new ATOM 0 HG2 LYS A 198 14.910 -14.213 -8.179 -0.20 0.02 H new ATOM 0 HG3 LYS A 198 13.837 -12.877 -7.816 -0.20 0.02 H new ATOM 0 HD2 LYS A 198 15.624 -12.539 -6.331 -0.20 0.02 H new ATOM 0 HD3 LYS A 198 14.413 -13.313 -5.328 -0.20 0.02 H new ATOM 0 HE2 LYS A 198 15.673 -15.183 -5.025 0.30 5.02 H new ATOM 0 HE3 LYS A 198 16.167 -15.244 -6.705 0.30 5.02 H new ATOM 0 HZ1 LYS A 198 17.997 -14.817 -5.108 -0.81 0.02 H new ATOM 0 HZ2 LYS A 198 17.854 -13.624 -6.308 -0.81 0.02 H new ATOM 0 HZ3 LYS A 198 17.291 -13.318 -4.735 -0.81 0.02 H new ATOM 601 N SER A 199 9.813 -13.831 -5.950 -0.36 0.02 N ATOM 602 CA SER A 199 8.390 -14.071 -6.143 1.00 0.02 C ATOM 603 C SER A 199 7.593 -12.803 -5.866 0.48 0.02 C ATOM 604 O SER A 199 8.079 -11.889 -5.199 -0.48 0.02 O ATOM 605 CB SER A 199 7.911 -15.199 -5.229 0.08 0.02 C ATOM 606 OG SER A 199 8.246 -14.937 -3.877 -0.68 0.02 O ATOM 0 H SER A 199 10.021 -13.077 -5.295 -0.36 0.02 H new ATOM 0 HA SER A 199 8.230 -14.366 -7.180 1.00 0.02 H new ATOM 0 HB2 SER A 199 6.831 -15.314 -5.324 0.08 0.02 H new ATOM 0 HB3 SER A 199 8.361 -16.141 -5.542 0.08 0.02 H new ATOM 0 HG SER A 199 7.927 -15.672 -3.313 -0.68 0.02 H new ATOM 612 N CYS A 200 6.367 -12.752 -6.371 -0.36 0.02 N ATOM 613 CA CYS A 200 5.514 -11.592 -6.160 1.00 0.02 C ATOM 614 C CYS A 200 4.891 -11.657 -4.770 0.48 0.02 C ATOM 615 O CYS A 200 4.617 -12.744 -4.261 -0.48 0.02 O ATOM 616 CB CYS A 200 4.423 -11.526 -7.229 0.20 0.02 C ATOM 617 SG CYS A 200 4.901 -10.588 -8.716 -0.20 0.02 S ATOM 0 H CYS A 200 5.944 -13.496 -6.926 -0.36 0.02 H new ATOM 0 HA CYS A 200 6.121 -10.690 -6.236 1.00 0.02 H new ATOM 0 HB2 CYS A 200 4.154 -12.541 -7.523 0.20 0.02 H new ATOM 0 HB3 CYS A 200 3.531 -11.072 -6.796 0.20 0.02 H new ATOM 622 N GLU A 201 4.687 -10.502 -4.145 -0.36 0.02 N ATOM 623 CA GLU A 201 4.119 -10.474 -2.802 1.00 0.02 C ATOM 624 C GLU A 201 3.234 -9.251 -2.558 0.48 0.02 C ATOM 625 O GLU A 201 3.699 -8.115 -2.601 -0.48 0.02 O ATOM 626 CB GLU A 201 5.242 -10.516 -1.762 -0.20 0.02 C ATOM 627 CG GLU A 201 5.300 -11.821 -0.984 -0.45 0.02 C ATOM 628 CD GLU A 201 4.693 -11.702 0.400 0.49 0.02 C ATOM 629 OE1 GLU A 201 5.252 -10.956 1.233 -0.62 0.02 O ATOM 630 OE2 GLU A 201 3.658 -12.354 0.652 -0.62 0.02 O ATOM 0 H GLU A 201 4.903 -9.586 -4.539 -0.36 0.02 H new ATOM 0 HA GLU A 201 3.483 -11.354 -2.706 1.00 0.02 H new ATOM 0 HB2 GLU A 201 6.197 -10.359 -2.264 -0.20 0.02 H new ATOM 0 HB3 GLU A 201 5.109 -9.691 -1.062 -0.20 0.02 H new ATOM 0 HG2 GLU A 201 4.774 -12.596 -1.542 -0.45 0.02 H new ATOM 0 HG3 GLU A 201 6.338 -12.141 -0.895 -0.45 0.02 H new ATOM 637 N ASP A 202 1.956 -9.524 -2.291 -0.36 0.02 N ATOM 638 CA ASP A 202 0.947 -8.504 -2.008 1.00 0.02 C ATOM 639 C ASP A 202 1.565 -7.180 -1.579 0.48 0.02 C ATOM 640 O ASP A 202 2.557 -7.137 -0.851 -0.48 0.02 O ATOM 641 CB ASP A 202 -0.006 -8.997 -0.920 -0.45 0.02 C ATOM 642 CG ASP A 202 -1.134 -8.020 -0.666 0.49 0.02 C ATOM 643 OD1 ASP A 202 -1.768 -7.580 -1.649 -0.62 0.02 O ATOM 644 OD2 ASP A 202 -1.386 -7.695 0.513 -0.62 0.02 O ATOM 0 H ASP A 202 1.588 -10.475 -2.265 -0.36 0.02 H new ATOM 0 HA ASP A 202 0.400 -8.330 -2.935 1.00 0.02 H new ATOM 0 HB2 ASP A 202 -0.421 -9.962 -1.212 -0.45 0.02 H new ATOM 0 HB3 ASP A 202 0.550 -9.156 0.004 -0.45 0.02 H new ATOM 649 N ILE A 203 0.968 -6.111 -2.059 -0.36 0.02 N ATOM 650 CA ILE A 203 1.432 -4.767 -1.781 1.00 0.02 C ATOM 651 C ILE A 203 0.927 -4.233 -0.435 0.48 0.02 C ATOM 652 O ILE A 203 -0.012 -4.777 0.161 -0.48 0.02 O ATOM 653 CB ILE A 203 0.991 -3.842 -2.918 -0.10 0.02 C ATOM 654 CG1 ILE A 203 1.623 -2.461 -2.802 -0.20 0.02 C ATOM 655 CG2 ILE A 203 -0.515 -3.743 -2.958 -0.30 0.02 C ATOM 656 CD1 ILE A 203 1.628 -1.723 -4.116 -0.30 0.02 C ATOM 0 H ILE A 203 0.142 -6.149 -2.657 -0.36 0.02 H new ATOM 0 HA ILE A 203 2.520 -4.796 -1.715 1.00 0.02 H new ATOM 0 HB ILE A 203 1.339 -4.277 -3.855 -0.10 0.02 H new ATOM 0 HG12 ILE A 203 1.079 -1.876 -2.061 -0.20 0.02 H new ATOM 0 HG13 ILE A 203 2.646 -2.561 -2.440 -0.20 0.02 H new ATOM 0 HG21 ILE A 203 -0.815 -3.082 -3.771 -0.30 0.02 H new ATOM 0 HG22 ILE A 203 -0.941 -4.733 -3.120 -0.30 0.02 H new ATOM 0 HG23 ILE A 203 -0.879 -3.342 -2.012 -0.30 0.02 H new ATOM 0 HD11 ILE A 203 2.088 -0.744 -3.982 -0.30 0.02 H new ATOM 0 HD12 ILE A 203 2.195 -2.293 -4.851 -0.30 0.02 H new ATOM 0 HD13 ILE A 203 0.604 -1.597 -4.466 -0.30 0.02 H new ATOM 668 N ASP A 204 1.557 -3.141 0.005 -0.36 0.02 N ATOM 669 CA ASP A 204 1.208 -2.470 1.257 1.00 0.02 C ATOM 670 C ASP A 204 0.406 -1.199 0.973 0.48 0.02 C ATOM 671 O ASP A 204 0.821 -0.090 1.309 -0.48 0.02 O ATOM 672 CB ASP A 204 2.478 -2.140 2.046 -0.45 0.02 C ATOM 673 CG ASP A 204 2.436 -2.684 3.461 0.49 0.02 C ATOM 674 OD1 ASP A 204 1.323 -2.949 3.962 -0.62 0.02 O ATOM 675 OD2 ASP A 204 3.516 -2.844 4.067 -0.62 0.02 O ATOM 0 H ASP A 204 2.325 -2.697 -0.499 -0.36 0.02 H new ATOM 0 HA ASP A 204 0.590 -3.139 1.856 1.00 0.02 H new ATOM 0 HB2 ASP A 204 3.343 -2.552 1.526 -0.45 0.02 H new ATOM 0 HB3 ASP A 204 2.612 -1.059 2.079 -0.45 0.02 H new ATOM 680 N GLU A 205 -0.733 -1.384 0.321 -0.36 0.02 N ATOM 681 CA GLU A 205 -1.615 -0.291 -0.065 1.00 0.02 C ATOM 682 C GLU A 205 -2.010 0.629 1.089 0.48 0.02 C ATOM 683 O GLU A 205 -2.385 1.772 0.851 -0.48 0.02 O ATOM 684 CB GLU A 205 -2.869 -0.859 -0.713 -0.20 0.02 C ATOM 685 CG GLU A 205 -2.627 -1.409 -2.107 -0.45 0.02 C ATOM 686 CD GLU A 205 -3.245 -2.776 -2.313 0.49 0.02 C ATOM 687 OE1 GLU A 205 -2.980 -3.684 -1.493 -0.62 0.02 O ATOM 688 OE2 GLU A 205 -3.998 -2.936 -3.293 -0.62 0.02 O ATOM 0 H GLU A 205 -1.074 -2.304 0.043 -0.36 0.02 H new ATOM 0 HA GLU A 205 -1.052 0.324 -0.767 1.00 0.02 H new ATOM 0 HB2 GLU A 205 -3.269 -1.652 -0.081 -0.20 0.02 H new ATOM 0 HB3 GLU A 205 -3.629 -0.079 -0.764 -0.20 0.02 H new ATOM 0 HG2 GLU A 205 -3.036 -0.716 -2.842 -0.45 0.02 H new ATOM 0 HG3 GLU A 205 -1.554 -1.469 -2.288 -0.45 0.02 H new ATOM 695 N CYS A 206 -1.959 0.151 2.329 -0.36 0.02 N ATOM 696 CA CYS A 206 -2.351 0.996 3.457 1.00 0.02 C ATOM 697 C CYS A 206 -1.146 1.501 4.244 0.48 0.02 C ATOM 698 O CYS A 206 -1.192 2.581 4.833 -0.48 0.02 O ATOM 699 CB CYS A 206 -3.339 0.262 4.370 0.20 0.02 C ATOM 700 SG CYS A 206 -2.611 -0.573 5.821 -0.20 0.02 S ATOM 0 H CYS A 206 -1.659 -0.792 2.577 -0.36 0.02 H new ATOM 0 HA CYS A 206 -2.851 1.873 3.045 1.00 0.02 H new ATOM 0 HB2 CYS A 206 -4.081 0.979 4.722 0.20 0.02 H new ATOM 0 HB3 CYS A 206 -3.870 -0.481 3.776 0.20 0.02 H new ATOM 705 N SER A 207 -0.067 0.731 4.245 -0.36 0.02 N ATOM 706 CA SER A 207 1.141 1.135 4.957 1.00 0.02 C ATOM 707 C SER A 207 1.646 2.462 4.404 0.48 0.02 C ATOM 708 O SER A 207 2.368 3.199 5.074 -0.48 0.02 O ATOM 709 CB SER A 207 2.225 0.064 4.831 0.08 0.02 C ATOM 710 OG SER A 207 1.906 -1.078 5.607 -0.68 0.02 O ATOM 0 H SER A 207 -0.001 -0.168 3.767 -0.36 0.02 H new ATOM 0 HA SER A 207 0.900 1.255 6.013 1.00 0.02 H new ATOM 0 HB2 SER A 207 2.338 -0.223 3.785 0.08 0.02 H new ATOM 0 HB3 SER A 207 3.183 0.472 5.155 0.08 0.02 H new ATOM 0 HG SER A 207 1.340 -1.682 5.083 -0.68 0.02 H new ATOM 716 N GLU A 208 1.265 2.743 3.162 -0.36 0.02 N ATOM 717 CA GLU A 208 1.669 3.959 2.477 1.00 0.02 C ATOM 718 C GLU A 208 0.841 5.162 2.927 0.48 0.02 C ATOM 719 O GLU A 208 1.174 6.302 2.603 -0.48 0.02 O ATOM 720 CB GLU A 208 1.507 3.755 0.974 -0.20 0.02 C ATOM 721 CG GLU A 208 2.573 2.863 0.363 -0.45 0.02 C ATOM 722 CD GLU A 208 3.499 3.616 -0.573 0.49 0.02 C ATOM 723 OE1 GLU A 208 3.176 3.714 -1.776 -0.62 0.02 O ATOM 724 OE2 GLU A 208 4.547 4.107 -0.104 -0.62 0.02 O ATOM 0 H GLU A 208 0.668 2.132 2.605 -0.36 0.02 H new ATOM 0 HA GLU A 208 2.710 4.165 2.724 1.00 0.02 H new ATOM 0 HB2 GLU A 208 0.526 3.321 0.778 -0.20 0.02 H new ATOM 0 HB3 GLU A 208 1.530 4.726 0.479 -0.20 0.02 H new ATOM 0 HG2 GLU A 208 3.160 2.407 1.160 -0.45 0.02 H new ATOM 0 HG3 GLU A 208 2.093 2.051 -0.183 -0.45 0.02 H new ATOM 731 N ASN A 209 -0.238 4.902 3.672 -0.36 0.02 N ATOM 732 CA ASN A 209 -1.124 5.960 4.174 1.00 0.02 C ATOM 733 C ASN A 209 -2.237 6.273 3.177 0.48 0.02 C ATOM 734 O ASN A 209 -2.317 7.380 2.643 -0.48 0.02 O ATOM 735 CB ASN A 209 -0.339 7.236 4.503 -0.20 0.02 C ATOM 736 CG ASN A 209 -0.935 7.996 5.672 0.48 0.02 C ATOM 737 OD1 ASN A 209 -1.356 7.401 6.664 -0.48 0.02 O ATOM 738 ND2 ASN A 209 -0.975 9.319 5.560 -0.52 0.02 N ATOM 0 H ASN A 209 -0.521 3.960 3.943 -0.36 0.02 H new ATOM 0 HA ASN A 209 -1.578 5.588 5.092 1.00 0.02 H new ATOM 0 HB2 ASN A 209 0.694 6.975 4.732 -0.20 0.02 H new ATOM 0 HB3 ASN A 209 -0.318 7.883 3.626 -0.20 0.02 H new ATOM 0 HD21 ASN A 209 -1.366 9.883 6.315 -0.52 0.02 H new ATOM 0 HD22 ASN A 209 -0.615 9.771 4.720 -0.52 0.02 H new ATOM 745 N MET A 210 -3.096 5.287 2.935 -0.36 0.02 N ATOM 746 CA MET A 210 -4.215 5.447 2.006 1.00 0.02 C ATOM 747 C MET A 210 -5.527 5.053 2.642 0.48 0.02 C ATOM 748 O MET A 210 -6.595 5.415 2.150 -0.48 0.02 O ATOM 749 CB MET A 210 -3.975 4.637 0.732 -0.20 0.02 C ATOM 750 CG MET A 210 -2.516 4.597 0.312 -0.11 5.02 C ATOM 751 SD MET A 210 -2.291 4.827 -1.463 -0.17 0.02 S ATOM 752 CE MET A 210 -2.102 3.129 -2.002 -0.21 5.02 C ATOM 0 H MET A 210 -3.040 4.366 3.370 -0.36 0.02 H new ATOM 0 HA MET A 210 -4.277 6.503 1.745 1.00 0.02 H new ATOM 0 HB2 MET A 210 -4.330 3.618 0.885 -0.20 0.02 H new ATOM 0 HB3 MET A 210 -4.568 5.062 -0.078 -0.20 0.02 H new ATOM 0 HG2 MET A 210 -1.968 5.373 0.846 -0.11 5.02 H new ATOM 0 HG3 MET A 210 -2.084 3.641 0.607 -0.11 5.02 H new ATOM 0 HE1 MET A 210 -1.954 3.104 -3.082 -0.21 5.02 H new ATOM 0 HE2 MET A 210 -1.239 2.684 -1.507 -0.21 5.02 H new ATOM 0 HE3 MET A 210 -2.998 2.564 -1.746 -0.21 5.02 H new ATOM 762 N CYS A 211 -5.455 4.327 3.739 -0.36 0.02 N ATOM 763 CA CYS A 211 -6.664 3.916 4.426 1.00 0.02 C ATOM 764 C CYS A 211 -6.808 4.637 5.741 0.48 0.02 C ATOM 765 O CYS A 211 -5.822 4.895 6.432 -0.48 0.02 O ATOM 766 CB CYS A 211 -6.695 2.403 4.643 0.20 0.02 C ATOM 767 SG CYS A 211 -7.378 1.469 3.245 -0.20 0.02 S ATOM 0 H CYS A 211 -4.586 4.013 4.170 -0.36 0.02 H new ATOM 0 HA CYS A 211 -7.508 4.184 3.790 1.00 0.02 H new ATOM 0 HB2 CYS A 211 -5.681 2.054 4.839 0.20 0.02 H new ATOM 0 HB3 CYS A 211 -7.285 2.186 5.534 0.20 0.02 H new ATOM 772 N ALA A 212 -8.045 4.958 6.095 -0.36 0.02 N ATOM 773 CA ALA A 212 -8.305 5.641 7.337 1.00 0.02 C ATOM 774 C ALA A 212 -8.811 4.663 8.395 0.48 0.02 C ATOM 775 O ALA A 212 -9.075 3.501 8.091 -0.48 0.02 O ATOM 776 CB ALA A 212 -9.298 6.776 7.126 -0.30 0.02 C ATOM 0 H ALA A 212 -8.874 4.754 5.537 -0.36 0.02 H new ATOM 0 HA ALA A 212 -7.370 6.071 7.695 1.00 0.02 H new ATOM 0 HB1 ALA A 212 -9.482 7.280 8.075 -0.30 0.02 H new ATOM 0 HB2 ALA A 212 -8.889 7.489 6.410 -0.30 0.02 H new ATOM 0 HB3 ALA A 212 -10.235 6.373 6.742 -0.30 0.02 H new ATOM 782 N GLN A 213 -8.962 5.141 9.630 -0.36 0.02 N ATOM 783 CA GLN A 213 -9.455 4.304 10.726 1.00 0.02 C ATOM 784 C GLN A 213 -8.691 2.982 10.812 0.48 0.02 C ATOM 785 O GLN A 213 -7.719 2.862 11.558 -0.48 0.02 O ATOM 786 CB GLN A 213 -10.949 4.042 10.553 -0.20 0.02 C ATOM 787 CG GLN A 213 -11.824 5.036 11.299 -0.20 0.02 C ATOM 788 CD GLN A 213 -11.482 5.114 12.775 0.48 0.02 C ATOM 789 OE1 GLN A 213 -11.245 6.195 13.313 -0.48 0.02 O ATOM 790 NE2 GLN A 213 -11.455 3.963 13.437 -0.52 0.02 N ATOM 0 H GLN A 213 -8.751 6.102 9.897 -0.36 0.02 H new ATOM 0 HA GLN A 213 -9.290 4.842 11.659 1.00 0.02 H new ATOM 0 HB2 GLN A 213 -11.196 4.076 9.492 -0.20 0.02 H new ATOM 0 HB3 GLN A 213 -11.177 3.035 10.902 -0.20 0.02 H new ATOM 0 HG2 GLN A 213 -11.712 6.023 10.850 -0.20 0.02 H new ATOM 0 HG3 GLN A 213 -12.870 4.751 11.186 -0.20 0.02 H new ATOM 0 HE21 GLN A 213 -11.658 3.090 12.950 -0.52 0.02 H new ATOM 0 HE22 GLN A 213 -11.231 3.952 14.432 -0.52 0.02 H new ATOM 799 N LEU A 214 -9.133 1.999 10.036 -0.36 0.02 N ATOM 800 CA LEU A 214 -8.500 0.692 10.004 1.00 0.02 C ATOM 801 C LEU A 214 -8.231 0.278 8.582 0.48 0.02 C ATOM 802 O LEU A 214 -9.109 0.393 7.735 -0.48 0.02 O ATOM 803 CB LEU A 214 -9.402 -0.337 10.649 -0.20 0.02 C ATOM 804 CG LEU A 214 -9.573 -0.165 12.142 -0.10 0.02 C ATOM 805 CD1 LEU A 214 -8.206 -0.129 12.807 -0.30 0.02 C ATOM 806 CD2 LEU A 214 -10.362 1.098 12.433 -0.30 0.02 C ATOM 0 H LEU A 214 -9.937 2.088 9.415 -0.36 0.02 H new ATOM 0 HA LEU A 214 -7.559 0.753 10.551 1.00 0.02 H new ATOM 0 HB2 LEU A 214 -10.383 -0.292 10.175 -0.20 0.02 H new ATOM 0 HB3 LEU A 214 -8.999 -1.331 10.453 -0.20 0.02 H new ATOM 0 HG LEU A 214 -10.132 -1.008 12.548 -0.10 0.02 H new ATOM 0 HD11 LEU A 214 -8.328 -0.005 13.883 -0.30 0.02 H new ATOM 0 HD12 LEU A 214 -7.679 -1.062 12.607 -0.30 0.02 H new ATOM 0 HD13 LEU A 214 -7.629 0.706 12.409 -0.30 0.02 H new ATOM 0 HD21 LEU A 214 -10.480 1.213 13.510 -0.30 0.02 H new ATOM 0 HD22 LEU A 214 -9.829 1.960 12.032 -0.30 0.02 H new ATOM 0 HD23 LEU A 214 -11.344 1.029 11.966 -0.30 0.02 H new ATOM 818 N CYS A 215 -7.019 -0.163 8.287 -0.36 0.02 N ATOM 819 CA CYS A 215 -6.707 -0.528 6.927 1.00 0.02 C ATOM 820 C CYS A 215 -6.467 -2.025 6.722 0.48 0.02 C ATOM 821 O CYS A 215 -5.342 -2.503 6.861 -0.48 0.02 O ATOM 822 CB CYS A 215 -5.481 0.246 6.458 0.20 0.02 C ATOM 823 SG CYS A 215 -3.928 -0.179 7.321 -0.20 0.02 S ATOM 0 H CYS A 215 -6.257 -0.273 8.956 -0.36 0.02 H new ATOM 0 HA CYS A 215 -7.586 -0.271 6.336 1.00 0.02 H new ATOM 0 HB2 CYS A 215 -5.346 0.072 5.390 0.20 0.02 H new ATOM 0 HB3 CYS A 215 -5.671 1.312 6.586 0.20 0.02 H new ATOM 828 N VAL A 216 -7.501 -2.756 6.312 -0.36 0.02 N ATOM 829 CA VAL A 216 -7.323 -4.169 6.009 1.00 0.02 C ATOM 830 C VAL A 216 -7.048 -4.288 4.534 0.48 0.02 C ATOM 831 O VAL A 216 -7.964 -4.322 3.713 -0.48 0.02 O ATOM 832 CB VAL A 216 -8.535 -5.055 6.347 -0.10 0.02 C ATOM 833 CG1 VAL A 216 -8.631 -6.256 5.396 -0.30 0.02 C ATOM 834 CG2 VAL A 216 -8.473 -5.537 7.789 -0.30 0.02 C ATOM 0 H VAL A 216 -8.449 -2.402 6.185 -0.36 0.02 H new ATOM 0 HA VAL A 216 -6.503 -4.525 6.632 1.00 0.02 H new ATOM 0 HB VAL A 216 -9.429 -4.444 6.220 -0.10 0.02 H new ATOM 0 HG11 VAL A 216 -9.497 -6.862 5.661 -0.30 0.02 H new ATOM 0 HG12 VAL A 216 -8.737 -5.901 4.371 -0.30 0.02 H new ATOM 0 HG13 VAL A 216 -7.727 -6.859 5.479 -0.30 0.02 H new ATOM 0 HG21 VAL A 216 -9.341 -6.161 8.002 -0.30 0.02 H new ATOM 0 HG22 VAL A 216 -7.563 -6.118 7.940 -0.30 0.02 H new ATOM 0 HG23 VAL A 216 -8.470 -4.678 8.460 -0.30 0.02 H new ATOM 844 N ASN A 217 -5.793 -4.340 4.200 -0.36 0.02 N ATOM 845 CA ASN A 217 -5.411 -4.452 2.820 1.00 0.02 C ATOM 846 C ASN A 217 -5.277 -5.922 2.448 0.48 0.02 C ATOM 847 O ASN A 217 -4.311 -6.568 2.855 -0.48 0.02 O ATOM 848 CB ASN A 217 -4.101 -3.711 2.565 -0.20 0.02 C ATOM 849 CG ASN A 217 -3.532 -4.019 1.200 0.48 0.02 C ATOM 850 OD1 ASN A 217 -4.238 -4.505 0.317 -0.48 0.02 O ATOM 851 ND2 ASN A 217 -2.257 -3.728 1.019 -0.52 0.02 N ATOM 0 H ASN A 217 -5.017 -4.307 4.861 -0.36 0.02 H new ATOM 0 HA ASN A 217 -6.181 -3.996 2.198 1.00 0.02 H new ATOM 0 HB2 ASN A 217 -4.269 -2.638 2.654 -0.20 0.02 H new ATOM 0 HB3 ASN A 217 -3.375 -3.985 3.330 -0.20 0.02 H new ATOM 0 HD21 ASN A 217 -1.817 -3.905 0.116 -0.52 0.02 H new ATOM 0 HD22 ASN A 217 -1.712 -3.326 1.782 -0.52 0.02 H new ATOM 858 N TYR A 218 -6.240 -6.480 1.702 -0.36 0.02 N ATOM 859 CA TYR A 218 -6.147 -7.888 1.359 1.00 0.02 C ATOM 860 C TYR A 218 -5.286 -8.092 0.134 0.48 0.02 C ATOM 861 O TYR A 218 -4.917 -7.130 -0.550 -0.48 0.02 O ATOM 862 CB TYR A 218 -7.536 -8.531 1.181 -0.20 0.02 C ATOM 863 CG TYR A 218 -8.534 -7.755 0.347 1.00 0.02 C ATOM 864 CD1 TYR A 218 -8.599 -7.919 -1.035 -0.14 0.02 C ATOM 865 CD2 TYR A 218 -9.445 -6.896 0.948 -0.14 0.02 C ATOM 866 CE1 TYR A 218 -9.543 -7.245 -1.790 -0.14 0.02 C ATOM 867 CE2 TYR A 218 -10.386 -6.213 0.199 -0.14 0.02 C ATOM 868 CZ TYR A 218 -10.433 -6.393 -1.168 0.20 0.02 C ATOM 869 OH TYR A 218 -11.373 -5.720 -1.915 -0.60 0.02 O ATOM 0 H TYR A 218 -7.060 -5.993 1.340 -0.36 0.02 H new ATOM 0 HA TYR A 218 -5.667 -8.394 2.196 1.00 0.02 H new ATOM 0 HB2 TYR A 218 -7.402 -9.513 0.728 -0.20 0.02 H new ATOM 0 HB3 TYR A 218 -7.968 -8.692 2.169 -0.20 0.02 H new ATOM 0 HD1 TYR A 218 -7.902 -8.583 -1.525 -0.14 0.02 H new ATOM 0 HD2 TYR A 218 -9.418 -6.759 2.019 -0.14 0.02 H new ATOM 0 HE1 TYR A 218 -9.583 -7.385 -2.860 -0.14 0.02 H new ATOM 0 HE2 TYR A 218 -11.081 -5.542 0.682 -0.14 0.02 H new ATOM 0 HH TYR A 218 -11.922 -5.163 -1.325 -0.60 0.02 H new ATOM 879 N PRO A 219 -4.905 -9.347 -0.144 -0.36 0.02 N ATOM 880 CA PRO A 219 -4.056 -9.648 -1.274 1.00 0.02 C ATOM 881 C PRO A 219 -4.585 -9.023 -2.560 0.48 0.02 C ATOM 882 O PRO A 219 -5.512 -9.544 -3.180 -0.48 0.02 O ATOM 883 CB PRO A 219 -4.065 -11.183 -1.365 -0.20 0.02 C ATOM 884 CG PRO A 219 -5.111 -11.639 -0.402 -0.20 0.02 C ATOM 885 CD PRO A 219 -5.223 -10.557 0.631 0.06 0.02 C ATOM 0 HA PRO A 219 -3.052 -9.242 -1.145 1.00 0.02 H new ATOM 0 HB2 PRO A 219 -4.295 -11.514 -2.378 -0.20 0.02 H new ATOM 0 HB3 PRO A 219 -3.090 -11.596 -1.108 -0.20 0.02 H new ATOM 0 HG2 PRO A 219 -6.064 -11.796 -0.907 -0.20 0.02 H new ATOM 0 HG3 PRO A 219 -4.832 -12.588 0.056 -0.20 0.02 H new ATOM 0 HD2 PRO A 219 -6.222 -10.511 1.065 0.06 0.02 H new ATOM 0 HD3 PRO A 219 -4.525 -10.707 1.454 0.06 0.02 H new ATOM 893 N GLY A 220 -3.985 -7.907 -2.959 -0.36 0.02 N ATOM 894 CA GLY A 220 -4.401 -7.235 -4.169 -0.10 0.02 C ATOM 895 C GLY A 220 -5.217 -5.985 -3.906 0.48 0.02 C ATOM 896 O GLY A 220 -4.756 -4.877 -4.157 -0.48 0.02 O ATOM 0 H GLY A 220 -3.216 -7.457 -2.462 -0.36 0.02 H new ATOM 0 HA2 GLY A 220 -3.519 -6.970 -4.751 -0.10 0.02 H new ATOM 0 HA3 GLY A 220 -4.988 -7.924 -4.776 -0.10 0.02 H new ATOM 900 N GLY A 221 -6.437 -6.167 -3.418 -0.36 0.02 N ATOM 901 CA GLY A 221 -7.305 -5.033 -3.145 -0.10 0.02 C ATOM 902 C GLY A 221 -7.398 -4.669 -1.681 0.48 0.02 C ATOM 903 O GLY A 221 -7.998 -5.388 -0.883 -0.48 0.02 O ATOM 0 H GLY A 221 -6.843 -7.078 -3.206 -0.36 0.02 H new ATOM 0 HA2 GLY A 221 -6.942 -4.169 -3.701 -0.10 0.02 H new ATOM 0 HA3 GLY A 221 -8.305 -5.256 -3.518 -0.10 0.02 H new ATOM 907 N TYR A 222 -6.780 -3.577 -1.293 -0.36 0.02 N ATOM 908 CA TYR A 222 -6.811 -3.184 0.095 1.00 0.02 C ATOM 909 C TYR A 222 -8.207 -2.732 0.530 0.48 0.02 C ATOM 910 O TYR A 222 -9.149 -2.746 -0.263 -0.48 0.02 O ATOM 911 CB TYR A 222 -5.813 -2.073 0.330 -0.20 0.02 C ATOM 912 CG TYR A 222 -6.170 -0.826 -0.418 1.00 0.02 C ATOM 913 CD1 TYR A 222 -5.764 -0.645 -1.726 -0.14 0.02 C ATOM 914 CD2 TYR A 222 -6.917 0.159 0.188 -0.14 0.02 C ATOM 915 CE1 TYR A 222 -6.094 0.504 -2.420 -0.14 0.02 C ATOM 916 CE2 TYR A 222 -7.256 1.315 -0.489 -0.14 0.02 C ATOM 917 CZ TYR A 222 -6.839 1.484 -1.795 0.20 0.02 C ATOM 918 OH TYR A 222 -7.172 2.632 -2.477 -0.60 0.02 O ATOM 0 H TYR A 222 -6.257 -2.954 -1.909 -0.36 0.02 H new ATOM 0 HA TYR A 222 -6.546 -4.055 0.695 1.00 0.02 H new ATOM 0 HB2 TYR A 222 -5.761 -1.853 1.396 -0.20 0.02 H new ATOM 0 HB3 TYR A 222 -4.821 -2.407 0.025 -0.20 0.02 H new ATOM 0 HD1 TYR A 222 -5.180 -1.412 -2.213 -0.14 0.02 H new ATOM 0 HD2 TYR A 222 -7.243 0.026 1.209 -0.14 0.02 H new ATOM 0 HE1 TYR A 222 -5.772 0.634 -3.443 -0.14 0.02 H new ATOM 0 HE2 TYR A 222 -7.842 2.080 -0.001 -0.14 0.02 H new ATOM 0 HH TYR A 222 -7.252 2.433 -3.433 -0.60 0.02 H new ATOM 928 N THR A 223 -8.331 -2.324 1.797 -0.36 0.02 N ATOM 929 CA THR A 223 -9.610 -1.860 2.332 1.00 0.02 C ATOM 930 C THR A 223 -9.411 -1.016 3.587 0.48 0.02 C ATOM 931 O THR A 223 -8.449 -1.198 4.332 -0.48 0.02 O ATOM 932 CB THR A 223 -10.526 -3.060 2.610 0.18 0.02 C ATOM 933 OG1 THR A 223 -11.129 -3.513 1.413 -0.68 0.02 O ATOM 934 CG2 THR A 223 -11.640 -2.778 3.591 -0.30 0.02 C ATOM 0 H THR A 223 -7.563 -2.306 2.467 -0.36 0.02 H new ATOM 0 HA THR A 223 -10.087 -1.223 1.587 1.00 0.02 H new ATOM 0 HB THR A 223 -9.869 -3.811 3.048 0.18 0.02 H new ATOM 0 HG1 THR A 223 -10.555 -3.288 0.652 -0.68 0.02 H new ATOM 0 HG21 THR A 223 -12.239 -3.678 3.730 -0.30 0.02 H new ATOM 0 HG22 THR A 223 -11.214 -2.474 4.547 -0.30 0.02 H new ATOM 0 HG23 THR A 223 -12.272 -1.978 3.204 -0.30 0.02 H new ATOM 942 N CYS A 224 -10.335 -0.085 3.801 -0.36 0.02 N ATOM 943 CA CYS A 224 -10.283 0.808 4.951 1.00 0.02 C ATOM 944 C CYS A 224 -11.588 0.750 5.742 0.48 0.02 C ATOM 945 O CYS A 224 -12.599 1.309 5.317 -0.48 0.02 O ATOM 946 CB CYS A 224 -10.026 2.247 4.490 0.20 0.02 C ATOM 947 SG CYS A 224 -9.149 2.385 2.896 -0.20 0.02 S ATOM 0 H CYS A 224 -11.135 0.070 3.187 -0.36 0.02 H new ATOM 0 HA CYS A 224 -9.467 0.483 5.597 1.00 0.02 H new ATOM 0 HB2 CYS A 224 -10.981 2.766 4.411 0.20 0.02 H new ATOM 0 HB3 CYS A 224 -9.446 2.762 5.255 0.20 0.02 H new ATOM 952 N TYR A 225 -11.565 0.091 6.901 -0.36 0.02 N ATOM 953 CA TYR A 225 -12.759 0.003 7.730 1.00 0.02 C ATOM 954 C TYR A 225 -12.734 1.053 8.830 0.48 0.02 C ATOM 955 O TYR A 225 -11.690 1.358 9.407 -0.48 0.02 O ATOM 956 CB TYR A 225 -12.983 -1.402 8.302 -0.20 0.02 C ATOM 957 CG TYR A 225 -11.785 -2.047 8.955 1.00 0.02 C ATOM 958 CD1 TYR A 225 -10.669 -2.410 8.216 -0.14 0.02 C ATOM 959 CD2 TYR A 225 -11.794 -2.329 10.313 -0.14 0.02 C ATOM 960 CE1 TYR A 225 -9.598 -3.034 8.805 -0.14 0.02 C ATOM 961 CE2 TYR A 225 -10.718 -2.953 10.918 -0.14 0.02 C ATOM 962 CZ TYR A 225 -9.623 -3.308 10.158 0.20 0.02 C ATOM 963 OH TYR A 225 -8.550 -3.933 10.750 -0.60 0.02 O ATOM 0 H TYR A 225 -10.744 -0.382 7.280 -0.36 0.02 H new ATOM 0 HA TYR A 225 -13.610 0.207 7.080 1.00 0.02 H new ATOM 0 HB2 TYR A 225 -13.788 -1.351 9.035 -0.20 0.02 H new ATOM 0 HB3 TYR A 225 -13.326 -2.051 7.496 -0.20 0.02 H new ATOM 0 HD1 TYR A 225 -10.642 -2.198 7.157 -0.14 0.02 H new ATOM 0 HD2 TYR A 225 -12.654 -2.057 10.907 -0.14 0.02 H new ATOM 0 HE1 TYR A 225 -8.738 -3.310 8.212 -0.14 0.02 H new ATOM 0 HE2 TYR A 225 -10.735 -3.161 11.978 -0.14 0.02 H new ATOM 0 HH TYR A 225 -8.727 -4.051 11.707 -0.60 0.02 H new ATOM 973 N CYS A 226 -13.897 1.639 9.055 -0.36 0.02 N ATOM 974 CA CYS A 226 -14.070 2.718 10.019 1.00 0.02 C ATOM 975 C CYS A 226 -14.962 2.298 11.186 0.48 0.02 C ATOM 976 O CYS A 226 -15.343 1.133 11.294 -0.48 0.02 O ATOM 977 CB CYS A 226 -14.676 3.896 9.278 0.20 0.02 C ATOM 978 SG CYS A 226 -14.107 4.004 7.548 -0.20 0.02 S ATOM 0 H CYS A 226 -14.756 1.379 8.571 -0.36 0.02 H new ATOM 0 HA CYS A 226 -13.105 2.985 10.450 1.00 0.02 H new ATOM 0 HB2 CYS A 226 -15.763 3.811 9.295 0.20 0.02 H new ATOM 0 HB3 CYS A 226 -14.420 4.819 9.799 0.20 0.02 H new ATOM 983 N ASP A 227 -15.270 3.250 12.072 -0.36 0.02 N ATOM 984 CA ASP A 227 -16.093 2.970 13.243 1.00 0.02 C ATOM 985 C ASP A 227 -15.320 2.120 14.251 0.48 0.02 C ATOM 986 O ASP A 227 -15.863 1.188 14.845 -0.48 0.02 O ATOM 987 CB ASP A 227 -17.390 2.261 12.836 -0.45 0.02 C ATOM 988 CG ASP A 227 -18.272 1.926 14.025 0.49 0.02 C ATOM 989 OD1 ASP A 227 -18.210 2.658 15.034 -0.62 0.02 O ATOM 990 OD2 ASP A 227 -19.023 0.931 13.946 -0.62 0.02 O ATOM 0 H ASP A 227 -14.960 4.219 11.997 -0.36 0.02 H new ATOM 0 HA ASP A 227 -16.350 3.919 13.713 1.00 0.02 H new ATOM 0 HB2 ASP A 227 -17.945 2.895 12.145 -0.45 0.02 H new ATOM 0 HB3 ASP A 227 -17.145 1.344 12.300 -0.45 0.02 H new ATOM 995 N GLY A 228 -14.045 2.446 14.437 -0.36 0.02 N ATOM 996 CA GLY A 228 -13.219 1.700 15.371 -0.10 0.02 C ATOM 997 C GLY A 228 -12.491 2.591 16.362 0.48 0.02 C ATOM 998 O GLY A 228 -11.808 2.096 17.259 -0.48 0.02 O ATOM 0 H GLY A 228 -13.569 3.211 13.959 -0.36 0.02 H new ATOM 0 HA2 GLY A 228 -13.845 0.994 15.917 -0.10 0.02 H new ATOM 0 HA3 GLY A 228 -12.489 1.114 14.813 -0.10 0.02 H new ATOM 1002 N LYS A 229 -12.631 3.905 16.204 -0.36 0.02 N ATOM 1003 CA LYS A 229 -11.976 4.855 17.096 1.00 0.02 C ATOM 1004 C LYS A 229 -12.999 5.593 17.953 0.48 0.02 C ATOM 1005 O LYS A 229 -13.024 5.444 19.175 -0.48 0.02 O ATOM 1006 CB LYS A 229 -11.151 5.858 16.289 -0.20 0.02 C ATOM 1007 CG LYS A 229 -10.358 6.826 17.152 -0.20 0.02 C ATOM 1008 CD LYS A 229 -9.208 7.448 16.377 -0.20 0.02 C ATOM 1009 CE LYS A 229 -9.604 8.783 15.766 0.30 5.02 C ATOM 1010 NZ LYS A 229 -9.149 8.904 14.353 -0.81 0.02 N ATOM 0 H LYS A 229 -13.191 4.334 15.468 -0.36 0.02 H new ATOM 0 HA LYS A 229 -11.312 4.296 17.756 1.00 0.02 H new ATOM 0 HB2 LYS A 229 -10.463 5.313 15.642 -0.20 0.02 H new ATOM 0 HB3 LYS A 229 -11.818 6.425 15.640 -0.20 0.02 H new ATOM 0 HG2 LYS A 229 -11.018 7.612 17.520 -0.20 0.02 H new ATOM 0 HG3 LYS A 229 -9.969 6.302 18.025 -0.20 0.02 H new ATOM 0 HD2 LYS A 229 -8.355 7.589 17.041 -0.20 0.02 H new ATOM 0 HD3 LYS A 229 -8.889 6.766 15.589 -0.20 0.02 H new ATOM 0 HE2 LYS A 229 -10.687 8.895 15.809 0.30 5.02 H new ATOM 0 HE3 LYS A 229 -9.176 9.593 16.356 0.30 5.02 H new ATOM 0 HZ1 LYS A 229 -9.438 9.828 13.973 -0.81 0.02 H new ATOM 0 HZ2 LYS A 229 -8.113 8.823 14.314 -0.81 0.02 H new ATOM 0 HZ3 LYS A 229 -9.577 8.146 13.784 -0.81 0.02 H new ATOM 1024 N LYS A 230 -13.841 6.389 17.303 -0.36 0.02 N ATOM 1025 CA LYS A 230 -14.868 7.152 18.003 1.00 0.02 C ATOM 1026 C LYS A 230 -16.223 6.450 17.937 0.48 0.02 C ATOM 1027 O LYS A 230 -17.220 6.964 18.445 -0.48 0.02 O ATOM 1028 CB LYS A 230 -14.982 8.556 17.406 -0.20 0.02 C ATOM 1029 CG LYS A 230 -14.071 9.575 18.069 -0.20 0.02 C ATOM 1030 CD LYS A 230 -14.533 9.903 19.481 -0.20 0.02 C ATOM 1031 CE LYS A 230 -14.653 11.403 19.696 0.30 5.02 C ATOM 1032 NZ LYS A 230 -15.693 11.739 20.708 -0.81 0.02 N ATOM 0 H LYS A 230 -13.833 6.523 16.292 -0.36 0.02 H new ATOM 0 HA LYS A 230 -14.573 7.227 19.050 1.00 0.02 H new ATOM 0 HB2 LYS A 230 -14.748 8.510 16.342 -0.20 0.02 H new ATOM 0 HB3 LYS A 230 -16.015 8.895 17.491 -0.20 0.02 H new ATOM 0 HG2 LYS A 230 -13.052 9.188 18.099 -0.20 0.02 H new ATOM 0 HG3 LYS A 230 -14.048 10.487 17.472 -0.20 0.02 H new ATOM 0 HD2 LYS A 230 -15.497 9.430 19.668 -0.20 0.02 H new ATOM 0 HD3 LYS A 230 -13.828 9.487 20.201 -0.20 0.02 H new ATOM 0 HE2 LYS A 230 -13.691 11.801 20.018 0.30 5.02 H new ATOM 0 HE3 LYS A 230 -14.897 11.887 18.750 0.30 5.02 H new ATOM 0 HZ1 LYS A 230 -15.743 12.771 20.825 -0.81 0.02 H new ATOM 0 HZ2 LYS A 230 -16.616 11.382 20.389 -0.81 0.02 H new ATOM 0 HZ3 LYS A 230 -15.447 11.299 21.618 -0.81 0.02 H new ATOM 1046 N GLY A 231 -16.259 5.277 17.309 -0.36 0.02 N ATOM 1047 CA GLY A 231 -17.503 4.539 17.196 -0.10 0.02 C ATOM 1048 C GLY A 231 -18.474 5.188 16.230 0.48 0.02 C ATOM 1049 O GLY A 231 -19.549 5.635 16.628 -0.48 0.02 O ATOM 0 H GLY A 231 -15.451 4.827 16.878 -0.36 0.02 H new ATOM 0 HA2 GLY A 231 -17.290 3.522 16.865 -0.10 0.02 H new ATOM 0 HA3 GLY A 231 -17.968 4.464 18.179 -0.10 0.02 H new ATOM 1053 N PHE A 232 -18.095 5.241 14.957 -0.36 0.02 N ATOM 1054 CA PHE A 232 -18.942 5.842 13.935 1.00 0.02 C ATOM 1055 C PHE A 232 -19.309 4.842 12.832 0.48 0.02 C ATOM 1056 O PHE A 232 -19.873 3.787 13.117 -0.48 0.02 O ATOM 1057 CB PHE A 232 -18.286 7.082 13.352 -0.16 0.02 C ATOM 1058 CG PHE A 232 -16.831 6.981 13.056 0.03 0.02 C ATOM 1059 CD1 PHE A 232 -15.889 7.245 14.033 -0.16 0.02 C ATOM 1060 CD2 PHE A 232 -16.407 6.684 11.776 -0.16 0.02 C ATOM 1061 CE1 PHE A 232 -14.543 7.201 13.741 -0.15 0.02 C ATOM 1062 CE2 PHE A 232 -15.066 6.649 11.475 -0.15 0.02 C ATOM 1063 CZ PHE A 232 -14.130 6.905 12.458 -0.15 0.02 C ATOM 0 H PHE A 232 -17.208 4.875 14.610 -0.36 0.02 H new ATOM 0 HA PHE A 232 -19.872 6.141 14.418 1.00 0.02 H new ATOM 0 HB2 PHE A 232 -18.805 7.342 12.430 -0.16 0.02 H new ATOM 0 HB3 PHE A 232 -18.437 7.908 14.047 -0.16 0.02 H new ATOM 0 HD1 PHE A 232 -16.211 7.488 15.035 -0.16 0.02 H new ATOM 0 HD2 PHE A 232 -17.135 6.478 11.005 -0.16 0.02 H new ATOM 0 HE1 PHE A 232 -13.814 7.397 14.513 -0.15 0.02 H new ATOM 0 HE2 PHE A 232 -14.744 6.421 10.470 -0.15 0.02 H new ATOM 0 HZ PHE A 232 -13.076 6.874 12.223 -0.15 0.02 H new ATOM 1073 N LYS A 233 -19.032 5.183 11.570 -0.36 0.02 N ATOM 1074 CA LYS A 233 -19.379 4.313 10.460 1.00 0.02 C ATOM 1075 C LYS A 233 -18.539 4.610 9.222 0.48 0.02 C ATOM 1076 O LYS A 233 -18.155 5.751 8.978 -0.48 0.02 O ATOM 1077 CB LYS A 233 -20.846 4.518 10.126 -0.20 0.02 C ATOM 1078 CG LYS A 233 -21.612 3.227 9.884 -0.20 0.02 C ATOM 1079 CD LYS A 233 -21.260 2.610 8.538 -0.20 0.02 C ATOM 1080 CE LYS A 233 -20.640 1.232 8.700 0.30 5.02 C ATOM 1081 NZ LYS A 233 -21.659 0.199 9.036 -0.81 0.02 N ATOM 0 H LYS A 233 -18.571 6.052 11.300 -0.36 0.02 H new ATOM 0 HA LYS A 233 -19.183 3.283 10.757 1.00 0.02 H new ATOM 0 HB2 LYS A 233 -21.321 5.063 10.942 -0.20 0.02 H new ATOM 0 HB3 LYS A 233 -20.922 5.145 9.238 -0.20 0.02 H new ATOM 0 HG2 LYS A 233 -21.389 2.516 10.680 -0.20 0.02 H new ATOM 0 HG3 LYS A 233 -22.683 3.426 9.925 -0.20 0.02 H new ATOM 0 HD2 LYS A 233 -22.158 2.536 7.925 -0.20 0.02 H new ATOM 0 HD3 LYS A 233 -20.566 3.262 8.008 -0.20 0.02 H new ATOM 0 HE2 LYS A 233 -20.131 0.953 7.778 0.30 5.02 H new ATOM 0 HE3 LYS A 233 -19.884 1.264 9.484 0.30 5.02 H new ATOM 0 HZ1 LYS A 233 -21.195 -0.726 9.138 -0.81 0.02 H new ATOM 0 HZ2 LYS A 233 -22.128 0.451 9.929 -0.81 0.02 H new ATOM 0 HZ3 LYS A 233 -22.367 0.149 8.276 -0.81 0.02 H new ATOM 1095 N LEU A 234 -18.268 3.581 8.433 -0.36 0.02 N ATOM 1096 CA LEU A 234 -17.492 3.749 7.213 1.00 0.02 C ATOM 1097 C LEU A 234 -18.377 4.309 6.102 0.48 0.02 C ATOM 1098 O LEU A 234 -19.333 3.659 5.681 -0.48 0.02 O ATOM 1099 CB LEU A 234 -16.885 2.404 6.786 -0.20 0.02 C ATOM 1100 CG LEU A 234 -16.460 2.290 5.314 -0.10 0.02 C ATOM 1101 CD1 LEU A 234 -15.672 3.515 4.871 -0.30 0.02 C ATOM 1102 CD2 LEU A 234 -15.638 1.026 5.098 -0.30 0.02 C ATOM 0 H LEU A 234 -18.572 2.625 8.614 -0.36 0.02 H new ATOM 0 HA LEU A 234 -16.682 4.454 7.402 1.00 0.02 H new ATOM 0 HB2 LEU A 234 -16.014 2.207 7.411 -0.20 0.02 H new ATOM 0 HB3 LEU A 234 -17.611 1.618 6.995 -0.20 0.02 H new ATOM 0 HG LEU A 234 -17.363 2.233 4.706 -0.10 0.02 H new ATOM 0 HD11 LEU A 234 -15.385 3.405 3.825 -0.30 0.02 H new ATOM 0 HD12 LEU A 234 -16.289 4.406 4.986 -0.30 0.02 H new ATOM 0 HD13 LEU A 234 -14.776 3.613 5.484 -0.30 0.02 H new ATOM 0 HD21 LEU A 234 -15.344 0.958 4.051 -0.30 0.02 H new ATOM 0 HD22 LEU A 234 -14.746 1.060 5.724 -0.30 0.02 H new ATOM 0 HD23 LEU A 234 -16.235 0.154 5.364 -0.30 0.02 H new ATOM 1114 N ALA A 235 -18.084 5.535 5.664 -0.36 0.02 N ATOM 1115 CA ALA A 235 -18.891 6.190 4.633 1.00 0.02 C ATOM 1116 C ALA A 235 -19.144 5.279 3.429 0.48 0.02 C ATOM 1117 O ALA A 235 -18.834 4.089 3.453 -0.48 0.02 O ATOM 1118 CB ALA A 235 -18.217 7.475 4.178 -0.30 0.02 C ATOM 0 H ALA A 235 -17.300 6.091 6.004 -0.36 0.02 H new ATOM 0 HA ALA A 235 -19.859 6.421 5.078 1.00 0.02 H new ATOM 0 HB1 ALA A 235 -18.826 7.954 3.411 -0.30 0.02 H new ATOM 0 HB2 ALA A 235 -18.108 8.149 5.028 -0.30 0.02 H new ATOM 0 HB3 ALA A 235 -17.233 7.245 3.769 -0.30 0.02 H new ATOM 1124 N GLN A 236 -19.734 5.848 2.382 -0.36 0.02 N ATOM 1125 CA GLN A 236 -20.066 5.090 1.179 1.00 0.02 C ATOM 1126 C GLN A 236 -18.901 5.008 0.194 0.48 0.02 C ATOM 1127 O GLN A 236 -19.098 4.660 -0.970 -0.48 0.02 O ATOM 1128 CB GLN A 236 -21.284 5.708 0.490 -0.20 0.02 C ATOM 1129 CG GLN A 236 -22.586 4.982 0.790 -0.20 0.02 C ATOM 1130 CD GLN A 236 -23.413 5.683 1.850 0.48 0.02 C ATOM 1131 OE1 GLN A 236 -24.498 6.192 1.571 -0.48 0.02 O ATOM 1132 NE2 GLN A 236 -22.902 5.712 3.076 -0.52 0.02 N ATOM 0 H GLN A 236 -19.993 6.834 2.342 -0.36 0.02 H new ATOM 0 HA GLN A 236 -20.293 4.072 1.496 1.00 0.02 H new ATOM 0 HB2 GLN A 236 -21.378 6.749 0.801 -0.20 0.02 H new ATOM 0 HB3 GLN A 236 -21.119 5.711 -0.587 -0.20 0.02 H new ATOM 0 HG2 GLN A 236 -23.171 4.899 -0.126 -0.20 0.02 H new ATOM 0 HG3 GLN A 236 -22.364 3.967 1.120 -0.20 0.02 H new ATOM 0 HE21 GLN A 236 -21.999 5.277 3.262 -0.52 0.02 H new ATOM 0 HE22 GLN A 236 -23.413 6.169 3.831 -0.52 0.02 H new ATOM 1141 N ASP A 237 -17.694 5.322 0.649 -0.36 0.02 N ATOM 1142 CA ASP A 237 -16.526 5.267 -0.225 1.00 0.02 C ATOM 1143 C ASP A 237 -15.709 4.002 0.029 0.48 0.02 C ATOM 1144 O ASP A 237 -14.950 3.562 -0.835 -0.48 0.02 O ATOM 1145 CB ASP A 237 -15.640 6.505 -0.029 -0.45 0.02 C ATOM 1146 CG ASP A 237 -16.436 7.747 0.326 0.49 0.02 C ATOM 1147 OD1 ASP A 237 -17.148 8.270 -0.557 -0.62 0.02 O ATOM 1148 OD2 ASP A 237 -16.347 8.197 1.488 -0.62 0.02 O ATOM 0 H ASP A 237 -17.498 5.614 1.606 -0.36 0.02 H new ATOM 0 HA ASP A 237 -16.886 5.249 -1.254 1.00 0.02 H new ATOM 0 HB2 ASP A 237 -14.915 6.306 0.760 -0.45 0.02 H new ATOM 0 HB3 ASP A 237 -15.075 6.690 -0.942 -0.45 0.02 H new ATOM 1153 N GLN A 238 -15.858 3.428 1.225 -0.36 0.02 N ATOM 1154 CA GLN A 238 -15.125 2.216 1.603 1.00 0.02 C ATOM 1155 C GLN A 238 -13.648 2.521 1.881 0.48 0.02 C ATOM 1156 O GLN A 238 -12.924 1.687 2.423 -0.48 0.02 O ATOM 1157 CB GLN A 238 -15.248 1.142 0.515 -0.20 0.02 C ATOM 1158 CG GLN A 238 -16.079 -0.059 0.939 -0.20 0.02 C ATOM 1159 CD GLN A 238 -15.290 -1.354 0.916 0.48 0.02 C ATOM 1160 OE1 GLN A 238 -14.252 -1.473 1.567 -0.48 0.02 O ATOM 1161 NE2 GLN A 238 -15.780 -2.332 0.164 -0.52 0.02 N ATOM 0 H GLN A 238 -16.481 3.783 1.950 -0.36 0.02 H new ATOM 0 HA GLN A 238 -15.572 1.836 2.521 1.00 0.02 H new ATOM 0 HB2 GLN A 238 -15.694 1.587 -0.375 -0.20 0.02 H new ATOM 0 HB3 GLN A 238 -14.250 0.803 0.236 -0.20 0.02 H new ATOM 0 HG2 GLN A 238 -16.465 0.108 1.944 -0.20 0.02 H new ATOM 0 HG3 GLN A 238 -16.940 -0.151 0.278 -0.20 0.02 H new ATOM 0 HE21 GLN A 238 -16.644 -2.189 -0.359 -0.52 0.02 H new ATOM 0 HE22 GLN A 238 -15.293 -3.226 0.109 -0.52 0.02 H new ATOM 1170 N LYS A 239 -13.214 3.723 1.509 -0.36 0.02 N ATOM 1171 CA LYS A 239 -11.835 4.139 1.720 1.00 0.02 C ATOM 1172 C LYS A 239 -11.761 5.195 2.820 0.48 0.02 C ATOM 1173 O LYS A 239 -10.871 5.162 3.670 -0.48 0.02 O ATOM 1174 CB LYS A 239 -11.240 4.689 0.423 -0.20 0.02 C ATOM 1175 CG LYS A 239 -11.525 3.823 -0.792 -0.20 0.02 C ATOM 1176 CD LYS A 239 -10.987 4.456 -2.065 -0.20 0.02 C ATOM 1177 CE LYS A 239 -11.131 3.522 -3.256 0.30 5.02 C ATOM 1178 NZ LYS A 239 -9.862 2.802 -3.554 -0.81 0.02 N ATOM 0 H LYS A 239 -13.801 4.425 1.059 -0.36 0.02 H new ATOM 0 HA LYS A 239 -11.256 3.269 2.030 1.00 0.02 H new ATOM 0 HB2 LYS A 239 -11.636 5.689 0.247 -0.20 0.02 H new ATOM 0 HB3 LYS A 239 -10.161 4.790 0.542 -0.20 0.02 H new ATOM 0 HG2 LYS A 239 -11.074 2.841 -0.654 -0.20 0.02 H new ATOM 0 HG3 LYS A 239 -12.600 3.669 -0.887 -0.20 0.02 H new ATOM 0 HD2 LYS A 239 -11.520 5.386 -2.264 -0.20 0.02 H new ATOM 0 HD3 LYS A 239 -9.937 4.714 -1.929 -0.20 0.02 H new ATOM 0 HE2 LYS A 239 -11.921 2.798 -3.056 0.30 5.02 H new ATOM 0 HE3 LYS A 239 -11.438 4.095 -4.131 0.30 5.02 H new ATOM 0 HZ1 LYS A 239 -9.532 3.059 -4.506 -0.81 0.02 H new ATOM 0 HZ2 LYS A 239 -9.140 3.067 -2.854 -0.81 0.02 H new ATOM 0 HZ3 LYS A 239 -10.026 1.776 -3.510 -0.81 0.02 H new ATOM 1192 N SER A 240 -12.710 6.129 2.797 -0.36 0.02 N ATOM 1193 CA SER A 240 -12.764 7.194 3.794 1.00 0.02 C ATOM 1194 C SER A 240 -13.499 6.722 5.043 0.48 0.02 C ATOM 1195 O SER A 240 -13.899 5.562 5.132 -0.48 0.02 O ATOM 1196 CB SER A 240 -13.454 8.431 3.216 0.08 0.02 C ATOM 1197 OG SER A 240 -12.871 9.621 3.718 -0.68 0.02 O ATOM 0 H SER A 240 -13.452 6.169 2.098 -0.36 0.02 H new ATOM 0 HA SER A 240 -11.743 7.457 4.069 1.00 0.02 H new ATOM 0 HB2 SER A 240 -13.381 8.417 2.129 0.08 0.02 H new ATOM 0 HB3 SER A 240 -14.515 8.409 3.465 0.08 0.02 H new ATOM 0 HG SER A 240 -13.328 10.397 3.332 -0.68 0.02 H new ATOM 1203 N CYS A 241 -13.666 7.619 6.009 -0.36 0.02 N ATOM 1204 CA CYS A 241 -14.344 7.278 7.256 1.00 0.02 C ATOM 1205 C CYS A 241 -15.103 8.475 7.813 0.48 0.02 C ATOM 1206 O CYS A 241 -14.533 9.550 7.999 -0.48 0.02 O ATOM 1207 CB CYS A 241 -13.314 6.751 8.258 0.20 0.02 C ATOM 1208 SG CYS A 241 -12.514 5.240 7.672 -0.20 0.02 S ATOM 0 H CYS A 241 -13.343 8.585 5.954 -0.36 0.02 H new ATOM 0 HA CYS A 241 -15.081 6.499 7.064 1.00 0.02 H new ATOM 0 HB2 CYS A 241 -12.558 7.516 8.437 0.20 0.02 H new ATOM 0 HB3 CYS A 241 -13.803 6.556 9.212 0.20 0.02 H new ATOM 1213 N GLU A 242 -16.404 8.293 8.055 -0.36 0.02 N ATOM 1214 CA GLU A 242 -17.233 9.381 8.563 1.00 0.02 C ATOM 1215 C GLU A 242 -18.146 8.946 9.712 0.48 0.02 C ATOM 1216 O GLU A 242 -18.676 7.837 9.723 -0.48 0.02 O ATOM 1217 CB GLU A 242 -18.076 9.967 7.429 -0.20 0.02 C ATOM 1218 CG GLU A 242 -17.411 11.133 6.716 -0.45 0.02 C ATOM 1219 CD GLU A 242 -17.966 12.475 7.153 0.49 0.02 C ATOM 1220 OE1 GLU A 242 -19.028 12.876 6.633 -0.62 0.02 O ATOM 1221 OE2 GLU A 242 -17.338 13.124 8.016 -0.62 0.02 O ATOM 0 H GLU A 242 -16.898 7.413 7.909 -0.36 0.02 H new ATOM 0 HA GLU A 242 -16.555 10.137 8.959 1.00 0.02 H new ATOM 0 HB2 GLU A 242 -18.289 9.182 6.703 -0.20 0.02 H new ATOM 0 HB3 GLU A 242 -19.033 10.297 7.832 -0.20 0.02 H new ATOM 0 HG2 GLU A 242 -16.338 11.108 6.908 -0.45 0.02 H new ATOM 0 HG3 GLU A 242 -17.545 11.021 5.640 -0.45 0.02 H new ATOM 1228 N VAL A 243 -18.336 9.850 10.669 -0.36 0.02 N ATOM 1229 CA VAL A 243 -19.197 9.593 11.821 1.00 0.02 C ATOM 1230 C VAL A 243 -20.588 10.172 11.602 0.48 0.02 C ATOM 1231 O VAL A 243 -20.775 11.096 10.811 -0.48 0.02 O ATOM 1232 CB VAL A 243 -18.603 10.189 13.117 -0.10 0.02 C ATOM 1233 CG1 VAL A 243 -18.182 11.633 12.897 -0.30 0.02 C ATOM 1234 CG2 VAL A 243 -19.597 10.085 14.270 -0.30 0.02 C ATOM 0 H VAL A 243 -17.902 10.773 10.669 -0.36 0.02 H new ATOM 0 HA VAL A 243 -19.266 8.511 11.929 1.00 0.02 H new ATOM 0 HB VAL A 243 -17.718 9.611 13.383 -0.10 0.02 H new ATOM 0 HG11 VAL A 243 -17.766 12.036 13.821 -0.30 0.02 H new ATOM 0 HG12 VAL A 243 -17.428 11.677 12.111 -0.30 0.02 H new ATOM 0 HG13 VAL A 243 -19.049 12.224 12.602 -0.30 0.02 H new ATOM 0 HG21 VAL A 243 -19.155 10.511 15.171 -0.30 0.02 H new ATOM 0 HG22 VAL A 243 -20.505 10.632 14.018 -0.30 0.02 H new ATOM 0 HG23 VAL A 243 -19.841 9.037 14.446 -0.30 0.02 H new