USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=16 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 197 SER OG : rot -95:sc= 0.285 USER MOD Set 1.2: A 199 SER OG : rot 49:sc= 0.874 USER MOD Set 2.1: A 169 SER OG : rot 170:sc= 0.238 USER MOD Set 2.2: A 194 ASN : amide:sc= -0.0971 X(o=0.14,f=0.24) USER MOD Single : A 165 SER OG : rot -29:sc= 0.328 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 THR OG1 : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ 157:sc= -0.0266 (180deg=-0.218) USER MOD Single : A 178 ASN : amide:sc= -6.14! C(o=-6.1!,f=-7.4!) USER MOD Single : A 191 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 TYR OH : rot 161:sc= -1.94! USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 198 LYS NZ :NH3+ 180:sc= 0 (180deg=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=-0.045) USER MOD Single : A 210 MET CE :methyl 163:sc= -0.291 (180deg=-0.865) USER MOD Single : A 213 GLN : amide:sc= -1.45 X(o=-1.4,f=-1.9) USER MOD Single : A 217 ASN : amide:sc= -8.92! C(o=-8.9!,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 21:sc= 0.471 USER MOD Single : A 225 TYR OH : rot 180:sc= -0.125 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+ 174:sc= 0 (180deg=-0.0464) USER MOD Single : A 236 GLN : amide:sc= -0.0699 X(o=-0.07,f=-0.41) USER MOD Single : A 238 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.031) USER MOD Single : A 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 SER OG : rot -16:sc= -2.91! USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 160 14.396 6.720 -12.717 -0.36 0.02 N ATOM 26 CA ASP A 160 15.003 8.005 -12.385 1.00 0.01 C ATOM 27 C ASP A 160 16.104 7.834 -11.340 0.48 0.02 C ATOM 28 O ASP A 160 17.288 7.801 -11.672 -0.48 0.02 O ATOM 29 CB ASP A 160 13.941 8.991 -11.878 -0.45 0.01 C ATOM 30 CG ASP A 160 12.779 8.303 -11.182 0.49 0.01 C ATOM 31 OD1 ASP A 160 12.932 7.927 -9.999 -0.62 0.01 O ATOM 32 OD2 ASP A 160 11.718 8.141 -11.819 -0.62 0.01 O ATOM 0 HA ASP A 160 15.450 8.409 -13.293 1.00 0.01 H new ATOM 0 HB2 ASP A 160 14.406 9.695 -11.188 -0.45 0.01 H new ATOM 0 HB3 ASP A 160 13.562 9.572 -12.718 -0.45 0.01 H new ATOM 37 N VAL A 161 15.704 7.723 -10.077 -0.36 0.01 N ATOM 38 CA VAL A 161 16.652 7.552 -8.984 1.00 0.01 C ATOM 39 C VAL A 161 16.002 6.809 -7.824 0.48 0.01 C ATOM 40 O VAL A 161 14.816 6.999 -7.543 -0.48 0.01 O ATOM 41 CB VAL A 161 17.184 8.906 -8.480 -0.10 0.01 C ATOM 42 CG1 VAL A 161 18.308 8.698 -7.476 -0.30 0.02 C ATOM 43 CG2 VAL A 161 17.653 9.762 -9.647 -0.30 0.02 C ATOM 0 H VAL A 161 14.727 7.749 -9.786 -0.36 0.01 H new ATOM 0 HA VAL A 161 17.489 6.970 -9.371 1.00 0.01 H new ATOM 0 HB VAL A 161 16.372 9.431 -7.977 -0.10 0.01 H new ATOM 0 HG11 VAL A 161 18.671 9.666 -7.131 -0.30 0.02 H new ATOM 0 HG12 VAL A 161 17.935 8.126 -6.626 -0.30 0.02 H new ATOM 0 HG13 VAL A 161 19.124 8.153 -7.951 -0.30 0.02 H new ATOM 0 HG21 VAL A 161 18.026 10.715 -9.272 -0.30 0.02 H new ATOM 0 HG22 VAL A 161 18.451 9.245 -10.180 -0.30 0.02 H new ATOM 0 HG23 VAL A 161 16.819 9.940 -10.326 -0.30 0.02 H new ATOM 53 N ASP A 162 16.779 5.953 -7.158 -0.36 0.01 N ATOM 54 CA ASP A 162 16.268 5.173 -6.034 1.00 0.01 C ATOM 55 C ASP A 162 14.924 4.550 -6.390 0.48 0.01 C ATOM 56 O ASP A 162 13.877 5.166 -6.199 -0.48 0.02 O ATOM 57 CB ASP A 162 16.123 6.058 -4.795 -0.45 0.01 C ATOM 58 CG ASP A 162 17.367 6.047 -3.928 0.49 0.02 C ATOM 59 OD1 ASP A 162 17.779 4.950 -3.496 -0.62 0.02 O ATOM 60 OD2 ASP A 162 17.928 7.135 -3.681 -0.62 0.02 O ATOM 0 H ASP A 162 17.761 5.784 -7.378 -0.36 0.01 H new ATOM 0 HA ASP A 162 16.978 4.376 -5.815 1.00 0.01 H new ATOM 0 HB2 ASP A 162 15.909 7.081 -5.105 -0.45 0.01 H new ATOM 0 HB3 ASP A 162 15.271 5.718 -4.207 -0.45 0.01 H new ATOM 65 N GLU A 163 14.954 3.334 -6.922 -0.36 0.02 N ATOM 66 CA GLU A 163 13.728 2.660 -7.313 1.00 0.02 C ATOM 67 C GLU A 163 13.301 1.649 -6.257 0.48 0.02 C ATOM 68 O GLU A 163 12.508 1.965 -5.371 -0.48 0.02 O ATOM 69 CB GLU A 163 13.907 1.982 -8.676 -0.20 0.01 C ATOM 70 CG GLU A 163 13.856 2.945 -9.858 -0.45 0.01 C ATOM 71 CD GLU A 163 14.403 4.325 -9.530 0.49 0.01 C ATOM 72 OE1 GLU A 163 13.654 5.141 -8.947 -0.62 0.01 O ATOM 73 OE2 GLU A 163 15.579 4.590 -9.857 -0.62 0.01 O ATOM 0 H GLU A 163 15.807 2.801 -7.090 -0.36 0.02 H new ATOM 0 HA GLU A 163 12.938 3.406 -7.398 1.00 0.02 H new ATOM 0 HB2 GLU A 163 14.863 1.459 -8.688 -0.20 0.01 H new ATOM 0 HB3 GLU A 163 13.130 1.228 -8.801 -0.20 0.01 H new ATOM 0 HG2 GLU A 163 14.425 2.523 -10.687 -0.45 0.01 H new ATOM 0 HG3 GLU A 163 12.824 3.041 -10.196 -0.45 0.01 H new ATOM 80 N CYS A 164 13.835 0.438 -6.345 -0.36 0.02 N ATOM 81 CA CYS A 164 13.507 -0.602 -5.384 1.00 0.02 C ATOM 82 C CYS A 164 14.414 -0.505 -4.162 0.48 0.02 C ATOM 83 O CYS A 164 14.071 -0.983 -3.081 -0.48 0.02 O ATOM 84 CB CYS A 164 13.625 -1.978 -6.029 0.20 0.02 C ATOM 85 SG CYS A 164 12.033 -2.667 -6.589 -0.20 0.02 S ATOM 0 H CYS A 164 14.494 0.154 -7.070 -0.36 0.02 H new ATOM 0 HA CYS A 164 12.476 -0.460 -5.059 1.00 0.02 H new ATOM 0 HB2 CYS A 164 14.302 -1.913 -6.881 0.20 0.02 H new ATOM 0 HB3 CYS A 164 14.077 -2.666 -5.315 0.20 0.02 H new ATOM 90 N SER A 165 15.568 0.132 -4.338 -0.36 0.02 N ATOM 91 CA SER A 165 16.515 0.309 -3.246 1.00 0.02 C ATOM 92 C SER A 165 16.074 1.454 -2.334 0.48 0.02 C ATOM 93 O SER A 165 16.683 1.697 -1.293 -0.48 0.02 O ATOM 94 CB SER A 165 17.916 0.587 -3.795 0.08 0.02 C ATOM 95 OG SER A 165 18.881 0.581 -2.757 -0.68 0.02 O ATOM 0 H SER A 165 15.868 0.533 -5.226 -0.36 0.02 H new ATOM 0 HA SER A 165 16.541 -0.612 -2.663 1.00 0.02 H new ATOM 0 HB2 SER A 165 18.174 -0.166 -4.540 0.08 0.02 H new ATOM 0 HB3 SER A 165 17.927 1.553 -4.300 0.08 0.02 H new ATOM 0 HG SER A 165 18.462 0.869 -1.919 -0.68 0.02 H new ATOM 101 N LEU A 166 15.008 2.152 -2.730 -0.36 0.02 N ATOM 102 CA LEU A 166 14.484 3.264 -1.946 1.00 0.02 C ATOM 103 C LEU A 166 14.175 2.816 -0.520 0.48 0.02 C ATOM 104 O LEU A 166 14.268 3.600 0.425 -0.48 0.02 O ATOM 105 CB LEU A 166 13.223 3.829 -2.608 -0.20 0.02 C ATOM 106 CG LEU A 166 13.092 5.356 -2.566 -0.10 0.02 C ATOM 107 CD1 LEU A 166 12.639 5.894 -3.917 -0.30 0.02 C ATOM 108 CD2 LEU A 166 12.125 5.781 -1.468 -0.30 0.02 C ATOM 0 H LEU A 166 14.493 1.964 -3.590 -0.36 0.02 H new ATOM 0 HA LEU A 166 15.242 4.046 -1.906 1.00 0.02 H new ATOM 0 HB2 LEU A 166 13.203 3.507 -3.649 -0.20 0.02 H new ATOM 0 HB3 LEU A 166 12.350 3.392 -2.123 -0.20 0.02 H new ATOM 0 HG LEU A 166 14.072 5.777 -2.342 -0.10 0.02 H new ATOM 0 HD11 LEU A 166 12.552 6.979 -3.866 -0.30 0.02 H new ATOM 0 HD12 LEU A 166 13.369 5.624 -4.680 -0.30 0.02 H new ATOM 0 HD13 LEU A 166 11.671 5.464 -4.174 -0.30 0.02 H new ATOM 0 HD21 LEU A 166 12.045 6.868 -1.454 -0.30 0.02 H new ATOM 0 HD22 LEU A 166 11.143 5.348 -1.660 -0.30 0.02 H new ATOM 0 HD23 LEU A 166 12.493 5.432 -0.503 -0.30 0.02 H new ATOM 120 N LYS A 167 13.812 1.544 -0.375 -0.36 0.02 N ATOM 121 CA LYS A 167 13.495 0.977 0.930 1.00 0.02 C ATOM 122 C LYS A 167 13.959 -0.476 1.011 0.48 0.02 C ATOM 123 O LYS A 167 14.331 -1.074 0.001 -0.48 0.02 O ATOM 124 CB LYS A 167 11.992 1.062 1.201 -0.20 0.02 C ATOM 125 CG LYS A 167 11.392 2.421 0.879 -0.20 0.02 C ATOM 126 CD LYS A 167 10.060 2.627 1.585 -0.20 0.02 C ATOM 127 CE LYS A 167 8.902 2.649 0.600 0.30 5.02 C ATOM 128 NZ LYS A 167 7.609 2.310 1.256 -0.81 0.02 N ATOM 0 H LYS A 167 13.730 0.885 -1.150 -0.36 0.02 H new ATOM 0 HA LYS A 167 14.022 1.555 1.689 1.00 0.02 H new ATOM 0 HB2 LYS A 167 11.481 0.300 0.612 -0.20 0.02 H new ATOM 0 HB3 LYS A 167 11.807 0.832 2.250 -0.20 0.02 H new ATOM 0 HG2 LYS A 167 12.087 3.206 1.176 -0.20 0.02 H new ATOM 0 HG3 LYS A 167 11.251 2.511 -0.198 -0.20 0.02 H new ATOM 0 HD2 LYS A 167 9.905 1.829 2.311 -0.20 0.02 H new ATOM 0 HD3 LYS A 167 10.083 3.564 2.141 -0.20 0.02 H new ATOM 0 HE2 LYS A 167 8.831 3.637 0.146 0.30 5.02 H new ATOM 0 HE3 LYS A 167 9.097 1.941 -0.206 0.30 5.02 H new ATOM 0 HZ1 LYS A 167 6.845 2.336 0.551 -0.81 0.02 H new ATOM 0 HZ2 LYS A 167 7.668 1.357 1.668 -0.81 0.02 H new ATOM 0 HZ3 LYS A 167 7.410 3.000 2.008 -0.81 0.02 H new ATOM 142 N PRO A 168 13.957 -1.061 2.221 -0.36 0.02 N ATOM 143 CA PRO A 168 14.390 -2.443 2.438 1.00 0.02 C ATOM 144 C PRO A 168 13.347 -3.479 2.014 0.48 0.02 C ATOM 145 O PRO A 168 13.542 -4.676 2.222 -0.48 0.02 O ATOM 146 CB PRO A 168 14.624 -2.520 3.959 -0.20 0.02 C ATOM 147 CG PRO A 168 14.414 -1.133 4.482 -0.20 0.02 C ATOM 148 CD PRO A 168 13.552 -0.428 3.477 0.06 0.02 C ATOM 0 HA PRO A 168 15.271 -2.674 1.839 1.00 0.02 H new ATOM 0 HB2 PRO A 168 13.932 -3.221 4.425 -0.20 0.02 H new ATOM 0 HB3 PRO A 168 15.631 -2.872 4.181 -0.20 0.02 H new ATOM 0 HG2 PRO A 168 13.932 -1.155 5.459 -0.20 0.02 H new ATOM 0 HG3 PRO A 168 15.366 -0.617 4.607 -0.20 0.02 H new ATOM 0 HD2 PRO A 168 12.491 -0.570 3.680 0.06 0.02 H new ATOM 0 HD3 PRO A 168 13.734 0.647 3.468 0.06 0.02 H new ATOM 156 N SER A 169 12.240 -3.027 1.426 -0.36 0.02 N ATOM 157 CA SER A 169 11.190 -3.948 0.995 1.00 0.02 C ATOM 158 C SER A 169 10.284 -3.323 -0.065 0.48 0.02 C ATOM 159 O SER A 169 9.116 -3.036 0.196 -0.48 0.02 O ATOM 160 CB SER A 169 10.354 -4.391 2.197 0.08 0.02 C ATOM 161 OG SER A 169 9.807 -5.682 1.991 -0.68 0.02 O ATOM 0 H SER A 169 12.048 -2.043 1.239 -0.36 0.02 H new ATOM 0 HA SER A 169 11.677 -4.815 0.548 1.00 0.02 H new ATOM 0 HB2 SER A 169 10.974 -4.394 3.093 0.08 0.02 H new ATOM 0 HB3 SER A 169 9.550 -3.675 2.368 0.08 0.02 H new ATOM 0 HG SER A 169 9.415 -6.009 2.828 -0.68 0.02 H new ATOM 167 N ILE A 170 10.824 -3.127 -1.264 -0.36 0.02 N ATOM 168 CA ILE A 170 10.054 -2.551 -2.363 1.00 0.02 C ATOM 169 C ILE A 170 9.569 -3.624 -3.316 0.48 0.02 C ATOM 170 O ILE A 170 8.393 -3.986 -3.325 -0.48 0.02 O ATOM 171 CB ILE A 170 10.879 -1.546 -3.184 -0.10 0.02 C ATOM 172 CG1 ILE A 170 11.449 -0.463 -2.278 -0.20 0.02 C ATOM 173 CG2 ILE A 170 10.032 -0.926 -4.278 -0.30 0.02 C ATOM 174 CD1 ILE A 170 10.385 0.478 -1.765 -0.30 0.02 C ATOM 0 H ILE A 170 11.789 -3.358 -1.500 -0.36 0.02 H new ATOM 0 HA ILE A 170 9.210 -2.041 -1.897 1.00 0.02 H new ATOM 0 HB ILE A 170 11.706 -2.081 -3.651 -0.10 0.02 H new ATOM 0 HG12 ILE A 170 11.955 -0.930 -1.433 -0.20 0.02 H new ATOM 0 HG13 ILE A 170 12.200 0.106 -2.825 -0.20 0.02 H new ATOM 0 HG21 ILE A 170 10.634 -0.218 -4.847 -0.30 0.02 H new ATOM 0 HG22 ILE A 170 9.667 -1.709 -4.943 -0.30 0.02 H new ATOM 0 HG23 ILE A 170 9.185 -0.405 -3.831 -0.30 0.02 H new ATOM 0 HD11 ILE A 170 10.844 1.231 -1.124 -0.30 0.02 H new ATOM 0 HD12 ILE A 170 9.895 0.967 -2.607 -0.30 0.02 H new ATOM 0 HD13 ILE A 170 9.647 -0.084 -1.193 -0.30 0.02 H new ATOM 186 N CYS A 171 10.489 -4.106 -4.141 -0.36 0.02 N ATOM 187 CA CYS A 171 10.161 -5.107 -5.123 1.00 0.02 C ATOM 188 C CYS A 171 11.408 -5.844 -5.598 0.48 0.02 C ATOM 189 O CYS A 171 11.521 -6.201 -6.771 -0.48 0.02 O ATOM 190 CB CYS A 171 9.438 -4.438 -6.292 0.20 0.02 C ATOM 191 SG CYS A 171 7.881 -5.254 -6.764 -0.20 0.02 S ATOM 0 H CYS A 171 11.466 -3.814 -4.142 -0.36 0.02 H new ATOM 0 HA CYS A 171 9.505 -5.851 -4.671 1.00 0.02 H new ATOM 0 HB2 CYS A 171 9.228 -3.401 -6.030 0.20 0.02 H new ATOM 0 HB3 CYS A 171 10.103 -4.420 -7.155 0.20 0.02 H new ATOM 196 N GLY A 172 12.342 -6.073 -4.671 -0.36 0.02 N ATOM 197 CA GLY A 172 13.576 -6.772 -5.000 -0.10 0.02 C ATOM 198 C GLY A 172 14.152 -6.334 -6.330 0.48 0.02 C ATOM 199 O GLY A 172 14.562 -7.165 -7.140 -0.48 0.02 O ATOM 0 H GLY A 172 12.264 -5.785 -3.696 -0.36 0.02 H new ATOM 0 HA2 GLY A 172 14.310 -6.596 -4.214 -0.10 0.02 H new ATOM 0 HA3 GLY A 172 13.387 -7.845 -5.025 -0.10 0.02 H new ATOM 203 N THR A 173 14.170 -5.019 -6.549 -0.36 0.02 N ATOM 204 CA THR A 173 14.679 -4.430 -7.783 1.00 0.02 C ATOM 205 C THR A 173 14.458 -5.367 -8.967 0.48 0.02 C ATOM 206 O THR A 173 15.345 -5.573 -9.795 -0.48 0.02 O ATOM 207 CB THR A 173 16.156 -4.084 -7.625 0.18 0.02 C ATOM 208 OG1 THR A 173 16.475 -3.870 -6.262 -0.68 0.02 O ATOM 209 CG2 THR A 173 16.569 -2.844 -8.393 -0.30 0.02 C ATOM 0 H THR A 173 13.831 -4.334 -5.874 -0.36 0.02 H new ATOM 0 HA THR A 173 14.128 -3.512 -7.984 1.00 0.02 H new ATOM 0 HB THR A 173 16.698 -4.938 -8.031 0.18 0.02 H new ATOM 0 HG1 THR A 173 17.427 -3.651 -6.179 -0.68 0.02 H new ATOM 0 HG21 THR A 173 17.631 -2.656 -8.236 -0.30 0.02 H new ATOM 0 HG22 THR A 173 16.380 -2.995 -9.456 -0.30 0.02 H new ATOM 0 HG23 THR A 173 15.993 -1.989 -8.040 -0.30 0.02 H new ATOM 217 N ALA A 174 13.255 -5.932 -9.024 -0.36 0.02 N ATOM 218 CA ALA A 174 12.878 -6.856 -10.085 1.00 0.02 C ATOM 219 C ALA A 174 12.510 -6.093 -11.350 0.48 0.02 C ATOM 220 O ALA A 174 13.302 -5.993 -12.286 -0.48 0.02 O ATOM 221 CB ALA A 174 11.711 -7.723 -9.619 -0.30 0.02 C ATOM 0 H ALA A 174 12.519 -5.762 -8.339 -0.36 0.02 H new ATOM 0 HA ALA A 174 13.726 -7.500 -10.315 1.00 0.02 H new ATOM 0 HB1 ALA A 174 11.430 -8.414 -10.414 -0.30 0.02 H new ATOM 0 HB2 ALA A 174 12.008 -8.288 -8.736 -0.30 0.02 H new ATOM 0 HB3 ALA A 174 10.860 -7.087 -9.374 -0.30 0.02 H new ATOM 227 N VAL A 175 11.306 -5.545 -11.356 -0.36 0.02 N ATOM 228 CA VAL A 175 10.813 -4.769 -12.484 1.00 0.02 C ATOM 229 C VAL A 175 9.956 -3.616 -11.981 0.48 0.02 C ATOM 230 O VAL A 175 9.023 -3.176 -12.654 -0.48 0.02 O ATOM 231 CB VAL A 175 9.984 -5.635 -13.450 -0.10 0.02 C ATOM 232 CG1 VAL A 175 9.659 -4.862 -14.718 -0.30 0.02 C ATOM 233 CG2 VAL A 175 10.722 -6.925 -13.777 -0.30 0.02 C ATOM 0 H VAL A 175 10.645 -5.624 -10.583 -0.36 0.02 H new ATOM 0 HA VAL A 175 11.677 -4.386 -13.026 1.00 0.02 H new ATOM 0 HB VAL A 175 9.045 -5.894 -12.961 -0.10 0.02 H new ATOM 0 HG11 VAL A 175 9.073 -5.491 -15.388 -0.30 0.02 H new ATOM 0 HG12 VAL A 175 9.086 -3.970 -14.464 -0.30 0.02 H new ATOM 0 HG13 VAL A 175 10.585 -4.569 -15.213 -0.30 0.02 H new ATOM 0 HG21 VAL A 175 10.121 -7.525 -14.461 -0.30 0.02 H new ATOM 0 HG22 VAL A 175 11.678 -6.689 -14.245 -0.30 0.02 H new ATOM 0 HG23 VAL A 175 10.897 -7.487 -12.859 -0.30 0.02 H new ATOM 243 N CYS A 176 10.274 -3.147 -10.779 -0.36 0.02 N ATOM 244 CA CYS A 176 9.544 -2.068 -10.153 1.00 0.02 C ATOM 245 C CYS A 176 9.761 -0.742 -10.868 0.48 0.02 C ATOM 246 O CYS A 176 10.888 -0.258 -10.978 -0.48 0.02 O ATOM 247 CB CYS A 176 9.969 -1.946 -8.693 0.20 0.02 C ATOM 248 SG CYS A 176 11.772 -1.865 -8.436 -0.20 0.02 S ATOM 0 H CYS A 176 11.045 -3.509 -10.218 -0.36 0.02 H new ATOM 0 HA CYS A 176 8.481 -2.303 -10.215 1.00 0.02 H new ATOM 0 HB2 CYS A 176 9.513 -1.051 -8.269 0.20 0.02 H new ATOM 0 HB3 CYS A 176 9.574 -2.798 -8.140 0.20 0.02 H new ATOM 253 N LYS A 177 8.667 -0.147 -11.327 -0.36 0.02 N ATOM 254 CA LYS A 177 8.726 1.140 -12.003 1.00 0.02 C ATOM 255 C LYS A 177 8.587 2.249 -10.970 0.48 0.02 C ATOM 256 O LYS A 177 7.483 2.715 -10.687 -0.48 0.02 O ATOM 257 CB LYS A 177 7.619 1.248 -13.056 -0.20 0.02 C ATOM 258 CG LYS A 177 8.141 1.289 -14.483 -0.20 0.02 C ATOM 259 CD LYS A 177 8.262 2.718 -14.993 -0.20 0.02 C ATOM 260 CE LYS A 177 9.715 3.115 -15.202 0.30 5.02 C ATOM 261 NZ LYS A 177 10.361 2.313 -16.278 -0.81 0.02 N ATOM 0 H LYS A 177 7.728 -0.537 -11.243 -0.36 0.02 H new ATOM 0 HA LYS A 177 9.684 1.236 -12.514 1.00 0.02 H new ATOM 0 HB2 LYS A 177 6.943 0.400 -12.949 -0.20 0.02 H new ATOM 0 HB3 LYS A 177 7.034 2.148 -12.866 -0.20 0.02 H new ATOM 0 HG2 LYS A 177 9.115 0.802 -14.529 -0.20 0.02 H new ATOM 0 HG3 LYS A 177 7.471 0.725 -15.133 -0.20 0.02 H new ATOM 0 HD2 LYS A 177 7.718 2.817 -15.932 -0.20 0.02 H new ATOM 0 HD3 LYS A 177 7.796 3.400 -14.281 -0.20 0.02 H new ATOM 0 HE2 LYS A 177 9.769 4.174 -15.456 0.30 5.02 H new ATOM 0 HE3 LYS A 177 10.265 2.982 -14.270 0.30 5.02 H new ATOM 0 HZ1 LYS A 177 11.175 2.836 -16.659 -0.81 0.02 H new ATOM 0 HZ2 LYS A 177 10.685 1.405 -15.887 -0.81 0.02 H new ATOM 0 HZ3 LYS A 177 9.675 2.137 -17.040 -0.81 0.02 H new ATOM 275 N ASN A 178 9.710 2.640 -10.380 -0.36 0.02 N ATOM 276 CA ASN A 178 9.707 3.663 -9.347 1.00 0.01 C ATOM 277 C ASN A 178 9.657 5.071 -9.918 0.48 0.02 C ATOM 278 O ASN A 178 9.891 5.292 -11.107 -0.48 0.02 O ATOM 279 CB ASN A 178 10.928 3.517 -8.447 -0.20 0.01 C ATOM 280 CG ASN A 178 10.699 4.110 -7.070 0.48 0.01 C ATOM 281 OD1 ASN A 178 10.835 5.318 -6.871 -0.48 0.01 O ATOM 282 ND2 ASN A 178 10.353 3.261 -6.110 -0.52 0.01 N ATOM 0 H ASN A 178 10.632 2.264 -10.600 -0.36 0.02 H new ATOM 0 HA ASN A 178 8.799 3.514 -8.763 1.00 0.01 H new ATOM 0 HB2 ASN A 178 11.181 2.461 -8.349 -0.20 0.01 H new ATOM 0 HB3 ASN A 178 11.782 4.007 -8.914 -0.20 0.01 H new ATOM 0 HD21 ASN A 178 10.188 3.602 -5.163 -0.52 0.01 H new ATOM 0 HD22 ASN A 178 10.252 2.268 -6.320 -0.52 0.01 H new ATOM 289 N ILE A 179 9.349 6.016 -9.040 -0.36 0.01 N ATOM 290 CA ILE A 179 9.257 7.419 -9.399 1.00 0.01 C ATOM 291 C ILE A 179 9.769 8.281 -8.244 0.48 0.01 C ATOM 292 O ILE A 179 10.031 7.762 -7.157 -0.48 0.01 O ATOM 293 CB ILE A 179 7.803 7.797 -9.748 -0.10 0.01 C ATOM 294 CG1 ILE A 179 6.854 7.363 -8.629 -0.20 0.02 C ATOM 295 CG2 ILE A 179 7.401 7.153 -11.067 -0.30 0.02 C ATOM 296 CD1 ILE A 179 5.390 7.525 -8.980 -0.30 5.62 C ATOM 0 H ILE A 179 9.156 5.827 -8.056 -0.36 0.01 H new ATOM 0 HA ILE A 179 9.874 7.598 -10.279 1.00 0.01 H new ATOM 0 HB ILE A 179 7.737 8.880 -9.851 -0.10 0.01 H new ATOM 0 HG12 ILE A 179 7.047 6.318 -8.385 -0.20 0.02 H new ATOM 0 HG13 ILE A 179 7.071 7.945 -7.733 -0.20 0.02 H new ATOM 0 HG21 ILE A 179 6.373 7.425 -11.306 -0.30 0.02 H new ATOM 0 HG22 ILE A 179 8.063 7.503 -11.859 -0.30 0.02 H new ATOM 0 HG23 ILE A 179 7.479 6.069 -10.981 -0.30 0.02 H new ATOM 0 HD11 ILE A 179 4.776 7.198 -8.141 -0.30 5.62 H new ATOM 0 HD12 ILE A 179 5.181 8.573 -9.196 -0.30 5.62 H new ATOM 0 HD13 ILE A 179 5.157 6.921 -9.857 -0.30 5.62 H new ATOM 308 N PRO A 180 9.941 9.600 -8.459 -0.36 0.01 N ATOM 309 CA PRO A 180 10.444 10.514 -7.429 1.00 0.01 C ATOM 310 C PRO A 180 9.945 10.195 -6.021 0.48 0.01 C ATOM 311 O PRO A 180 10.643 10.447 -5.039 -0.48 0.02 O ATOM 312 CB PRO A 180 9.914 11.861 -7.902 -0.20 0.01 C ATOM 313 CG PRO A 180 9.950 11.763 -9.389 -0.20 0.02 C ATOM 314 CD PRO A 180 9.685 10.314 -9.728 0.06 0.01 C ATOM 0 HA PRO A 180 11.528 10.458 -7.332 1.00 0.01 H new ATOM 0 HB2 PRO A 180 8.902 12.041 -7.539 -0.20 0.01 H new ATOM 0 HB3 PRO A 180 10.533 12.682 -7.541 -0.20 0.01 H new ATOM 0 HG2 PRO A 180 9.198 12.411 -9.839 -0.20 0.02 H new ATOM 0 HG3 PRO A 180 10.918 12.082 -9.776 -0.20 0.02 H new ATOM 0 HD2 PRO A 180 8.661 10.165 -10.071 0.06 0.01 H new ATOM 0 HD3 PRO A 180 10.342 9.963 -10.524 0.06 0.01 H new ATOM 322 N GLY A 181 8.742 9.646 -5.924 -0.36 0.02 N ATOM 323 CA GLY A 181 8.193 9.313 -4.620 -0.10 0.02 C ATOM 324 C GLY A 181 7.071 8.292 -4.677 0.48 0.02 C ATOM 325 O GLY A 181 5.989 8.522 -4.137 -0.48 0.02 O ATOM 0 H GLY A 181 8.139 9.426 -6.716 -0.36 0.02 H new ATOM 0 HA2 GLY A 181 8.992 8.928 -3.986 -0.10 0.02 H new ATOM 0 HA3 GLY A 181 7.822 10.223 -4.148 -0.10 0.02 H new ATOM 329 N ASP A 182 7.330 7.159 -5.318 -0.36 0.02 N ATOM 330 CA ASP A 182 6.339 6.094 -5.428 1.00 0.02 C ATOM 331 C ASP A 182 6.958 4.879 -6.099 0.48 0.02 C ATOM 332 O ASP A 182 8.182 4.785 -6.207 -0.48 0.02 O ATOM 333 CB ASP A 182 5.113 6.573 -6.207 -0.45 0.02 C ATOM 334 CG ASP A 182 3.839 6.481 -5.391 0.49 0.02 C ATOM 335 OD1 ASP A 182 3.878 6.816 -4.188 -0.62 0.02 O ATOM 336 OD2 ASP A 182 2.801 6.075 -5.954 -0.62 0.02 O ATOM 0 H ASP A 182 8.220 6.953 -5.771 -0.36 0.02 H new ATOM 0 HA ASP A 182 6.013 5.815 -4.426 1.00 0.02 H new ATOM 0 HB2 ASP A 182 5.266 7.605 -6.522 -0.45 0.02 H new ATOM 0 HB3 ASP A 182 5.005 5.976 -7.113 -0.45 0.02 H new ATOM 341 N PHE A 183 6.129 3.945 -6.551 -0.36 0.02 N ATOM 342 CA PHE A 183 6.657 2.755 -7.202 1.00 0.02 C ATOM 343 C PHE A 183 5.583 1.890 -7.853 0.48 0.02 C ATOM 344 O PHE A 183 4.405 1.943 -7.500 -0.48 0.02 O ATOM 345 CB PHE A 183 7.475 1.924 -6.193 -0.16 0.02 C ATOM 346 CG PHE A 183 6.809 0.647 -5.731 0.03 0.02 C ATOM 347 CD1 PHE A 183 5.480 0.642 -5.328 -0.16 0.02 C ATOM 348 CD2 PHE A 183 7.515 -0.548 -5.700 -0.16 0.02 C ATOM 349 CE1 PHE A 183 4.871 -0.527 -4.907 -0.15 0.02 C ATOM 350 CE2 PHE A 183 6.910 -1.718 -5.278 -0.15 0.02 C ATOM 351 CZ PHE A 183 5.587 -1.707 -4.883 -0.15 0.02 C ATOM 0 H PHE A 183 5.112 3.986 -6.481 -0.36 0.02 H new ATOM 0 HA PHE A 183 7.300 3.101 -8.011 1.00 0.02 H new ATOM 0 HB2 PHE A 183 8.435 1.673 -6.645 -0.16 0.02 H new ATOM 0 HB3 PHE A 183 7.685 2.543 -5.321 -0.16 0.02 H new ATOM 0 HD1 PHE A 183 4.915 1.562 -5.343 -0.16 0.02 H new ATOM 0 HD2 PHE A 183 8.550 -0.564 -6.009 -0.16 0.02 H new ATOM 0 HE1 PHE A 183 3.836 -0.516 -4.597 -0.15 0.02 H new ATOM 0 HE2 PHE A 183 7.472 -2.640 -5.257 -0.15 0.02 H new ATOM 0 HZ PHE A 183 5.113 -2.620 -4.556 -0.15 0.02 H new ATOM 361 N GLU A 184 6.042 1.064 -8.784 -0.36 0.02 N ATOM 362 CA GLU A 184 5.199 0.120 -9.498 1.00 0.02 C ATOM 363 C GLU A 184 5.953 -1.198 -9.594 0.48 0.02 C ATOM 364 O GLU A 184 7.028 -1.326 -9.010 -0.48 0.02 O ATOM 365 CB GLU A 184 4.848 0.652 -10.886 -0.20 0.02 C ATOM 366 CG GLU A 184 4.055 1.948 -10.848 -0.45 0.02 C ATOM 367 CD GLU A 184 4.468 2.918 -11.937 0.49 0.02 C ATOM 368 OE1 GLU A 184 5.433 3.680 -11.719 -0.62 0.02 O ATOM 369 OE2 GLU A 184 3.827 2.915 -13.009 -0.62 0.02 O ATOM 0 H GLU A 184 7.022 1.032 -9.066 -0.36 0.02 H new ATOM 0 HA GLU A 184 4.260 -0.026 -8.964 1.00 0.02 H new ATOM 0 HB2 GLU A 184 5.767 0.812 -11.450 -0.20 0.02 H new ATOM 0 HB3 GLU A 184 4.273 -0.103 -11.422 -0.20 0.02 H new ATOM 0 HG2 GLU A 184 2.993 1.723 -10.951 -0.45 0.02 H new ATOM 0 HG3 GLU A 184 4.187 2.422 -9.875 -0.45 0.02 H new ATOM 376 N CYS A 185 5.417 -2.183 -10.306 -0.36 0.02 N ATOM 377 CA CYS A 185 6.113 -3.462 -10.408 1.00 0.02 C ATOM 378 C CYS A 185 5.412 -4.448 -11.330 0.48 0.02 C ATOM 379 O CYS A 185 4.251 -4.270 -11.699 -0.48 0.02 O ATOM 380 CB CYS A 185 6.252 -4.086 -9.021 0.20 0.02 C ATOM 381 SG CYS A 185 7.798 -5.011 -8.775 -0.20 0.02 S ATOM 0 H CYS A 185 4.530 -2.127 -10.807 -0.36 0.02 H new ATOM 0 HA CYS A 185 7.092 -3.253 -10.838 1.00 0.02 H new ATOM 0 HB2 CYS A 185 6.190 -3.297 -8.271 0.20 0.02 H new ATOM 0 HB3 CYS A 185 5.409 -4.756 -8.849 0.20 0.02 H new ATOM 386 N GLU A 186 6.139 -5.508 -11.671 -0.36 0.02 N ATOM 387 CA GLU A 186 5.622 -6.569 -12.522 1.00 0.02 C ATOM 388 C GLU A 186 4.876 -7.602 -11.683 0.48 0.02 C ATOM 389 O GLU A 186 4.383 -8.604 -12.201 -0.48 0.02 O ATOM 390 CB GLU A 186 6.769 -7.249 -13.256 -0.20 0.02 C ATOM 391 CG GLU A 186 6.316 -8.268 -14.291 -0.45 0.02 C ATOM 392 CD GLU A 186 6.750 -7.906 -15.698 0.49 0.02 C ATOM 393 OE1 GLU A 186 7.808 -7.258 -15.844 -0.62 0.02 O ATOM 394 OE2 GLU A 186 6.033 -8.271 -16.653 -0.62 0.02 O ATOM 0 H GLU A 186 7.101 -5.653 -11.365 -0.36 0.02 H new ATOM 0 HA GLU A 186 4.934 -6.131 -13.246 1.00 0.02 H new ATOM 0 HB2 GLU A 186 7.374 -6.488 -13.749 -0.20 0.02 H new ATOM 0 HB3 GLU A 186 7.411 -7.745 -12.528 -0.20 0.02 H new ATOM 0 HG2 GLU A 186 6.719 -9.247 -14.032 -0.45 0.02 H new ATOM 0 HG3 GLU A 186 5.230 -8.352 -14.261 -0.45 0.02 H new ATOM 401 N CYS A 187 4.806 -7.347 -10.380 -0.36 0.02 N ATOM 402 CA CYS A 187 4.133 -8.244 -9.453 1.00 0.02 C ATOM 403 C CYS A 187 2.628 -8.254 -9.741 0.48 0.02 C ATOM 404 O CYS A 187 1.947 -7.262 -9.495 -0.48 0.02 O ATOM 405 CB CYS A 187 4.406 -7.794 -8.009 0.20 0.02 C ATOM 406 SG CYS A 187 5.125 -9.086 -6.943 -0.20 0.02 S ATOM 0 H CYS A 187 5.211 -6.520 -9.942 -0.36 0.02 H new ATOM 0 HA CYS A 187 4.516 -9.256 -9.581 1.00 0.02 H new ATOM 0 HB2 CYS A 187 5.081 -6.939 -8.029 0.20 0.02 H new ATOM 0 HB3 CYS A 187 3.471 -7.452 -7.565 0.20 0.02 H new ATOM 411 N PRO A 188 2.105 -9.379 -10.294 -0.36 0.02 N ATOM 412 CA PRO A 188 0.696 -9.556 -10.660 1.00 0.02 C ATOM 413 C PRO A 188 -0.292 -8.694 -9.874 0.48 0.02 C ATOM 414 O PRO A 188 -1.053 -9.210 -9.058 -0.48 0.02 O ATOM 415 CB PRO A 188 0.488 -11.035 -10.361 -0.20 0.02 C ATOM 416 CG PRO A 188 1.803 -11.679 -10.684 -0.20 0.02 C ATOM 417 CD PRO A 188 2.863 -10.596 -10.633 0.06 0.02 C ATOM 0 HA PRO A 188 0.505 -9.249 -11.688 1.00 0.02 H new ATOM 0 HB2 PRO A 188 0.216 -11.193 -9.318 -0.20 0.02 H new ATOM 0 HB3 PRO A 188 -0.316 -11.452 -10.967 -0.20 0.02 H new ATOM 0 HG2 PRO A 188 2.028 -12.471 -9.969 -0.20 0.02 H new ATOM 0 HG3 PRO A 188 1.772 -12.140 -11.671 -0.20 0.02 H new ATOM 0 HD2 PRO A 188 3.624 -10.815 -9.884 0.06 0.02 H new ATOM 0 HD3 PRO A 188 3.377 -10.494 -11.589 0.06 0.02 H new ATOM 425 N GLU A 189 -0.234 -7.380 -10.124 -0.36 0.02 N ATOM 426 CA GLU A 189 -1.072 -6.362 -9.470 1.00 0.02 C ATOM 427 C GLU A 189 -0.164 -5.235 -9.014 0.48 0.02 C ATOM 428 O GLU A 189 0.755 -4.859 -9.742 -0.48 0.02 O ATOM 429 CB GLU A 189 -1.895 -6.931 -8.303 -0.20 0.02 C ATOM 430 CG GLU A 189 -3.037 -7.826 -8.742 -0.45 0.02 C ATOM 431 CD GLU A 189 -4.387 -7.141 -8.658 0.49 0.02 C ATOM 432 OE1 GLU A 189 -4.449 -5.919 -8.912 -0.62 0.02 O ATOM 433 OE2 GLU A 189 -5.381 -7.825 -8.337 -0.62 0.02 O ATOM 0 H GLU A 189 0.414 -6.983 -10.805 -0.36 0.02 H new ATOM 0 HA GLU A 189 -1.807 -5.991 -10.185 1.00 0.02 H new ATOM 0 HB2 GLU A 189 -1.234 -7.496 -7.646 -0.20 0.02 H new ATOM 0 HB3 GLU A 189 -2.297 -6.105 -7.717 -0.20 0.02 H new ATOM 0 HG2 GLU A 189 -2.863 -8.152 -9.768 -0.45 0.02 H new ATOM 0 HG3 GLU A 189 -3.050 -8.722 -8.121 -0.45 0.02 H new ATOM 440 N GLY A 190 -0.329 -4.759 -7.792 -0.36 0.02 N ATOM 441 CA GLY A 190 0.571 -3.781 -7.273 -0.10 0.02 C ATOM 442 C GLY A 190 1.325 -4.466 -6.173 0.48 0.02 C ATOM 443 O GLY A 190 1.895 -3.834 -5.290 -0.48 0.02 O ATOM 0 H GLY A 190 -1.076 -5.040 -7.156 -0.36 0.02 H new ATOM 0 HA2 GLY A 190 1.249 -3.422 -8.048 -0.10 0.02 H new ATOM 0 HA3 GLY A 190 0.031 -2.913 -6.896 -0.10 0.02 H new ATOM 447 N TYR A 191 1.310 -5.807 -6.254 -0.36 0.02 N ATOM 448 CA TYR A 191 1.973 -6.653 -5.281 1.00 0.02 C ATOM 449 C TYR A 191 3.416 -6.251 -5.083 0.48 0.02 C ATOM 450 O TYR A 191 4.100 -5.792 -5.998 -0.48 0.02 O ATOM 451 CB TYR A 191 1.932 -8.125 -5.714 -0.20 0.02 C ATOM 452 CG TYR A 191 0.552 -8.738 -5.794 1.00 0.02 C ATOM 453 CD1 TYR A 191 -0.585 -8.022 -5.449 -0.14 0.02 C ATOM 454 CD2 TYR A 191 0.395 -10.048 -6.228 -0.14 0.02 C ATOM 455 CE1 TYR A 191 -1.838 -8.595 -5.533 -0.14 0.02 C ATOM 456 CE2 TYR A 191 -0.855 -10.627 -6.316 -0.14 0.02 C ATOM 457 CZ TYR A 191 -1.969 -9.897 -5.967 0.20 0.02 C ATOM 458 OH TYR A 191 -3.218 -10.469 -6.053 -0.60 0.02 O ATOM 0 H TYR A 191 0.837 -6.321 -6.997 -0.36 0.02 H new ATOM 0 HA TYR A 191 1.435 -6.528 -4.341 1.00 0.02 H new ATOM 0 HB2 TYR A 191 2.407 -8.212 -6.691 -0.20 0.02 H new ATOM 0 HB3 TYR A 191 2.531 -8.709 -5.015 -0.20 0.02 H new ATOM 0 HD1 TYR A 191 -0.488 -7.001 -5.110 -0.14 0.02 H new ATOM 0 HD2 TYR A 191 1.267 -10.624 -6.502 -0.14 0.02 H new ATOM 0 HE1 TYR A 191 -2.713 -8.025 -5.259 -0.14 0.02 H new ATOM 0 HE2 TYR A 191 -0.959 -11.647 -6.657 -0.14 0.02 H new ATOM 0 HH TYR A 191 -3.134 -11.390 -6.377 -0.60 0.02 H new ATOM 468 N ARG A 192 3.856 -6.471 -3.872 -0.36 0.02 N ATOM 469 CA ARG A 192 5.229 -6.188 -3.474 1.00 0.02 C ATOM 470 C ARG A 192 6.089 -7.435 -3.680 0.48 0.02 C ATOM 471 O ARG A 192 5.649 -8.553 -3.412 -0.48 0.02 O ATOM 472 CB ARG A 192 5.282 -5.749 -2.010 -0.20 0.02 C ATOM 473 CG ARG A 192 5.311 -4.242 -1.824 -0.20 0.02 C ATOM 474 CD ARG A 192 4.991 -3.855 -0.390 -0.10 0.02 C ATOM 475 NE ARG A 192 6.085 -4.186 0.523 -0.60 0.02 N ATOM 476 CZ ARG A 192 5.920 -4.779 1.706 0.60 0.02 C ATOM 477 NH1 ARG A 192 4.708 -5.108 2.136 -0.60 0.02 N ATOM 478 NH2 ARG A 192 6.976 -5.042 2.464 -0.60 0.02 N ATOM 0 H ARG A 192 3.278 -6.853 -3.124 -0.36 0.02 H new ATOM 0 HA ARG A 192 5.616 -5.377 -4.091 1.00 0.02 H new ATOM 0 HB2 ARG A 192 4.416 -6.154 -1.487 -0.20 0.02 H new ATOM 0 HB3 ARG A 192 6.167 -6.181 -1.542 -0.20 0.02 H new ATOM 0 HG2 ARG A 192 6.295 -3.859 -2.095 -0.20 0.02 H new ATOM 0 HG3 ARG A 192 4.591 -3.777 -2.497 -0.20 0.02 H new ATOM 0 HD2 ARG A 192 4.788 -2.785 -0.340 -0.10 0.02 H new ATOM 0 HD3 ARG A 192 4.084 -4.367 -0.070 -0.10 0.02 H new ATOM 0 HE ARG A 192 7.035 -3.948 0.236 -0.60 0.02 H new ATOM 0 HH11 ARG A 192 3.891 -4.908 1.560 -0.60 0.02 H new ATOM 0 HH12 ARG A 192 4.594 -5.561 3.043 -0.60 0.02 H new ATOM 0 HH21 ARG A 192 7.911 -4.791 2.142 -0.60 0.02 H new ATOM 0 HH22 ARG A 192 6.854 -5.495 3.369 -0.60 0.02 H new ATOM 492 N TYR A 193 7.305 -7.238 -4.177 -0.36 0.02 N ATOM 493 CA TYR A 193 8.224 -8.331 -4.448 1.00 0.02 C ATOM 494 C TYR A 193 9.407 -8.300 -3.490 0.48 0.02 C ATOM 495 O TYR A 193 9.729 -7.260 -2.915 -0.48 0.02 O ATOM 496 CB TYR A 193 8.711 -8.196 -5.885 -0.20 0.02 C ATOM 497 CG TYR A 193 9.530 -9.355 -6.368 1.00 0.02 C ATOM 498 CD1 TYR A 193 10.903 -9.356 -6.215 -0.14 0.02 C ATOM 499 CD2 TYR A 193 8.931 -10.435 -6.991 -0.14 0.02 C ATOM 500 CE1 TYR A 193 11.670 -10.408 -6.676 -0.14 0.02 C ATOM 501 CE2 TYR A 193 9.683 -11.496 -7.451 -0.14 0.02 C ATOM 502 CZ TYR A 193 11.055 -11.478 -7.294 0.20 0.02 C ATOM 503 OH TYR A 193 11.814 -12.523 -7.765 -0.60 0.02 O ATOM 0 H TYR A 193 7.679 -6.316 -4.402 -0.36 0.02 H new ATOM 0 HA TYR A 193 7.711 -9.282 -4.307 1.00 0.02 H new ATOM 0 HB2 TYR A 193 7.848 -8.078 -6.540 -0.20 0.02 H new ATOM 0 HB3 TYR A 193 9.304 -7.285 -5.972 -0.20 0.02 H new ATOM 0 HD1 TYR A 193 11.384 -8.521 -5.727 -0.14 0.02 H new ATOM 0 HD2 TYR A 193 7.859 -10.448 -7.119 -0.14 0.02 H new ATOM 0 HE1 TYR A 193 12.743 -10.393 -6.554 -0.14 0.02 H new ATOM 0 HE2 TYR A 193 9.202 -12.335 -7.931 -0.14 0.02 H new ATOM 0 HH TYR A 193 11.246 -13.313 -7.883 -0.60 0.02 H new ATOM 513 N ASN A 194 10.049 -9.448 -3.324 -0.36 0.02 N ATOM 514 CA ASN A 194 11.197 -9.559 -2.436 1.00 0.02 C ATOM 515 C ASN A 194 12.348 -10.275 -3.129 0.48 0.02 C ATOM 516 O ASN A 194 12.166 -11.356 -3.691 -0.48 0.02 O ATOM 517 CB ASN A 194 10.808 -10.311 -1.163 -0.20 0.02 C ATOM 518 CG ASN A 194 10.761 -9.405 0.052 0.48 0.02 C ATOM 519 OD1 ASN A 194 9.970 -8.464 0.108 -0.48 0.02 O ATOM 520 ND2 ASN A 194 11.612 -9.686 1.032 -0.52 0.02 N ATOM 0 H ASN A 194 9.794 -10.317 -3.794 -0.36 0.02 H new ATOM 0 HA ASN A 194 11.523 -8.553 -2.172 1.00 0.02 H new ATOM 0 HB2 ASN A 194 9.833 -10.777 -1.303 -0.20 0.02 H new ATOM 0 HB3 ASN A 194 11.523 -11.115 -0.986 -0.20 0.02 H new ATOM 0 HD21 ASN A 194 11.627 -9.111 1.875 -0.52 0.02 H new ATOM 0 HD22 ASN A 194 12.250 -10.477 0.942 -0.52 0.02 H new ATOM 527 N LEU A 195 13.531 -9.666 -3.077 -0.36 0.02 N ATOM 528 CA LEU A 195 14.723 -10.243 -3.691 1.00 0.02 C ATOM 529 C LEU A 195 15.275 -11.379 -2.836 0.48 0.02 C ATOM 530 O LEU A 195 15.985 -12.254 -3.330 -0.48 0.02 O ATOM 531 CB LEU A 195 15.796 -9.168 -3.883 -0.20 0.02 C ATOM 532 CG LEU A 195 17.085 -9.651 -4.553 -0.10 0.02 C ATOM 533 CD1 LEU A 195 17.102 -9.259 -6.022 -0.30 0.02 C ATOM 534 CD2 LEU A 195 18.303 -9.089 -3.834 -0.30 0.02 C ATOM 0 H LEU A 195 13.689 -8.771 -2.614 -0.36 0.02 H new ATOM 0 HA LEU A 195 14.443 -10.644 -4.665 1.00 0.02 H new ATOM 0 HB2 LEU A 195 15.375 -8.359 -4.480 -0.20 0.02 H new ATOM 0 HB3 LEU A 195 16.046 -8.748 -2.909 -0.20 0.02 H new ATOM 0 HG LEU A 195 17.120 -10.739 -4.488 -0.10 0.02 H new ATOM 0 HD11 LEU A 195 18.026 -9.611 -6.482 -0.30 0.02 H new ATOM 0 HD12 LEU A 195 16.249 -9.711 -6.529 -0.30 0.02 H new ATOM 0 HD13 LEU A 195 17.043 -8.174 -6.110 -0.30 0.02 H new ATOM 0 HD21 LEU A 195 19.210 -9.443 -4.324 -0.30 0.02 H new ATOM 0 HD22 LEU A 195 18.274 -8.000 -3.866 -0.30 0.02 H new ATOM 0 HD23 LEU A 195 18.298 -9.421 -2.796 -0.30 0.02 H new ATOM 546 N LYS A 196 14.931 -11.366 -1.551 -0.36 0.02 N ATOM 547 CA LYS A 196 15.375 -12.398 -0.629 1.00 0.02 C ATOM 548 C LYS A 196 14.798 -13.736 -1.046 0.48 0.02 C ATOM 549 O LYS A 196 15.493 -14.751 -1.092 -0.48 0.02 O ATOM 550 CB LYS A 196 14.918 -12.061 0.788 -0.20 0.02 C ATOM 551 CG LYS A 196 16.025 -11.523 1.665 -0.20 0.02 C ATOM 552 CD LYS A 196 16.445 -10.125 1.240 -0.20 0.02 C ATOM 553 CE LYS A 196 17.710 -9.680 1.957 0.30 5.02 C ATOM 554 NZ LYS A 196 17.633 -8.258 2.393 -0.81 0.02 N ATOM 0 H LYS A 196 14.344 -10.648 -1.127 -0.36 0.02 H new ATOM 0 HA LYS A 196 16.464 -12.451 -0.650 1.00 0.02 H new ATOM 0 HB2 LYS A 196 14.115 -11.326 0.737 -0.20 0.02 H new ATOM 0 HB3 LYS A 196 14.502 -12.956 1.250 -0.20 0.02 H new ATOM 0 HG2 LYS A 196 15.691 -11.504 2.703 -0.20 0.02 H new ATOM 0 HG3 LYS A 196 16.884 -12.192 1.619 -0.20 0.02 H new ATOM 0 HD2 LYS A 196 16.610 -10.106 0.163 -0.20 0.02 H new ATOM 0 HD3 LYS A 196 15.639 -9.422 1.452 -0.20 0.02 H new ATOM 0 HE2 LYS A 196 17.878 -10.317 2.825 0.30 5.02 H new ATOM 0 HE3 LYS A 196 18.567 -9.811 1.296 0.30 5.02 H new ATOM 0 HZ1 LYS A 196 18.515 -7.995 2.877 -0.81 0.02 H new ATOM 0 HZ2 LYS A 196 17.499 -7.647 1.562 -0.81 0.02 H new ATOM 0 HZ3 LYS A 196 16.831 -8.138 3.044 -0.81 0.02 H new ATOM 568 N SER A 197 13.514 -13.712 -1.357 -0.36 0.02 N ATOM 569 CA SER A 197 12.804 -14.903 -1.787 1.00 0.02 C ATOM 570 C SER A 197 12.583 -14.877 -3.295 0.48 0.02 C ATOM 571 O SER A 197 12.166 -15.872 -3.884 -0.48 0.02 O ATOM 572 CB SER A 197 11.463 -15.018 -1.060 0.08 0.02 C ATOM 573 OG SER A 197 10.912 -16.315 -1.206 -0.68 0.02 O ATOM 0 H SER A 197 12.937 -12.872 -1.319 -0.36 0.02 H new ATOM 0 HA SER A 197 13.412 -15.773 -1.538 1.00 0.02 H new ATOM 0 HB2 SER A 197 11.599 -14.795 -0.002 0.08 0.02 H new ATOM 0 HB3 SER A 197 10.767 -14.278 -1.455 0.08 0.02 H new ATOM 0 HG SER A 197 10.284 -16.321 -1.959 -0.68 0.02 H new ATOM 579 N LYS A 198 12.808 -13.707 -3.901 -0.36 0.02 N ATOM 580 CA LYS A 198 12.596 -13.513 -5.336 1.00 0.02 C ATOM 581 C LYS A 198 11.208 -14.009 -5.706 0.48 0.02 C ATOM 582 O LYS A 198 10.988 -14.619 -6.752 -0.48 0.02 O ATOM 583 CB LYS A 198 13.667 -14.214 -6.182 -0.20 0.02 C ATOM 584 CG LYS A 198 14.640 -15.050 -5.376 -0.20 0.02 C ATOM 585 CD LYS A 198 14.160 -16.484 -5.262 -0.20 0.02 C ATOM 586 CE LYS A 198 15.040 -17.438 -6.052 0.30 5.02 C ATOM 587 NZ LYS A 198 16.011 -18.151 -5.177 -0.81 0.02 N ATOM 0 H LYS A 198 13.140 -12.875 -3.414 -0.36 0.02 H new ATOM 0 HA LYS A 198 12.678 -12.448 -5.552 1.00 0.02 H new ATOM 0 HB2 LYS A 198 13.175 -14.853 -6.915 -0.20 0.02 H new ATOM 0 HB3 LYS A 198 14.225 -13.462 -6.739 -0.20 0.02 H new ATOM 0 HG2 LYS A 198 15.622 -15.028 -5.849 -0.20 0.02 H new ATOM 0 HG3 LYS A 198 14.756 -14.621 -4.381 -0.20 0.02 H new ATOM 0 HD2 LYS A 198 14.151 -16.782 -4.214 -0.20 0.02 H new ATOM 0 HD3 LYS A 198 13.134 -16.553 -5.622 -0.20 0.02 H new ATOM 0 HE2 LYS A 198 14.414 -18.166 -6.568 0.30 5.02 H new ATOM 0 HE3 LYS A 198 15.581 -16.883 -6.818 0.30 5.02 H new ATOM 0 HZ1 LYS A 198 16.592 -18.792 -5.754 -0.81 0.02 H new ATOM 0 HZ2 LYS A 198 16.625 -17.458 -4.703 -0.81 0.02 H new ATOM 0 HZ3 LYS A 198 15.494 -18.702 -4.462 -0.81 0.02 H new ATOM 601 N SER A 199 10.292 -13.734 -4.803 -0.36 0.02 N ATOM 602 CA SER A 199 8.900 -14.134 -4.961 1.00 0.02 C ATOM 603 C SER A 199 7.979 -12.923 -5.011 0.48 0.02 C ATOM 604 O SER A 199 8.341 -11.834 -4.565 -0.48 0.02 O ATOM 605 CB SER A 199 8.482 -15.059 -3.816 0.08 0.02 C ATOM 606 OG SER A 199 9.272 -16.236 -3.798 -0.68 0.02 O ATOM 0 H SER A 199 10.485 -13.228 -3.938 -0.36 0.02 H new ATOM 0 HA SER A 199 8.811 -14.668 -5.907 1.00 0.02 H new ATOM 0 HB2 SER A 199 8.583 -14.535 -2.866 0.08 0.02 H new ATOM 0 HB3 SER A 199 7.430 -15.324 -3.924 0.08 0.02 H new ATOM 0 HG SER A 199 10.220 -15.995 -3.864 -0.68 0.02 H new ATOM 612 N CYS A 200 6.777 -13.127 -5.537 -0.36 0.02 N ATOM 613 CA CYS A 200 5.791 -12.061 -5.624 1.00 0.02 C ATOM 614 C CYS A 200 4.800 -12.197 -4.474 0.48 0.02 C ATOM 615 O CYS A 200 4.325 -13.296 -4.189 -0.48 0.02 O ATOM 616 CB CYS A 200 5.053 -12.116 -6.963 0.20 0.02 C ATOM 617 SG CYS A 200 3.940 -10.703 -7.255 -0.20 0.02 S ATOM 0 H CYS A 200 6.463 -14.023 -5.910 -0.36 0.02 H new ATOM 0 HA CYS A 200 6.300 -11.100 -5.556 1.00 0.02 H new ATOM 0 HB2 CYS A 200 5.786 -12.160 -7.769 0.20 0.02 H new ATOM 0 HB3 CYS A 200 4.473 -13.038 -7.009 0.20 0.02 H new ATOM 622 N GLU A 201 4.496 -11.093 -3.805 -0.36 0.02 N ATOM 623 CA GLU A 201 3.568 -11.135 -2.683 1.00 0.02 C ATOM 624 C GLU A 201 2.747 -9.857 -2.573 0.48 0.02 C ATOM 625 O GLU A 201 3.289 -8.756 -2.627 -0.48 0.02 O ATOM 626 CB GLU A 201 4.330 -11.372 -1.378 -0.20 0.02 C ATOM 627 CG GLU A 201 4.861 -12.789 -1.230 -0.45 0.02 C ATOM 628 CD GLU A 201 6.354 -12.882 -1.481 0.49 0.02 C ATOM 629 OE1 GLU A 201 7.132 -12.520 -0.574 -0.62 0.02 O ATOM 630 OE2 GLU A 201 6.744 -13.317 -2.585 -0.62 0.02 O ATOM 0 H GLU A 201 4.873 -10.169 -4.016 -0.36 0.02 H new ATOM 0 HA GLU A 201 2.878 -11.960 -2.862 1.00 0.02 H new ATOM 0 HB2 GLU A 201 5.164 -10.673 -1.323 -0.20 0.02 H new ATOM 0 HB3 GLU A 201 3.672 -11.150 -0.538 -0.20 0.02 H new ATOM 0 HG2 GLU A 201 4.642 -13.152 -0.226 -0.45 0.02 H new ATOM 0 HG3 GLU A 201 4.338 -13.444 -1.927 -0.45 0.02 H new ATOM 637 N ASP A 202 1.435 -10.030 -2.406 -0.36 0.02 N ATOM 638 CA ASP A 202 0.500 -8.922 -2.266 1.00 0.02 C ATOM 639 C ASP A 202 1.164 -7.742 -1.575 0.48 0.02 C ATOM 640 O ASP A 202 2.059 -7.907 -0.745 -0.48 0.02 O ATOM 641 CB ASP A 202 -0.747 -9.355 -1.491 -0.45 0.02 C ATOM 642 CG ASP A 202 -1.729 -8.217 -1.292 0.49 0.02 C ATOM 643 OD1 ASP A 202 -2.197 -7.654 -2.305 -0.62 0.02 O ATOM 644 OD2 ASP A 202 -2.030 -7.888 -0.125 -0.62 0.02 O ATOM 0 H ASP A 202 0.993 -10.948 -2.364 -0.36 0.02 H new ATOM 0 HA ASP A 202 0.195 -8.613 -3.266 1.00 0.02 H new ATOM 0 HB2 ASP A 202 -1.240 -10.167 -2.026 -0.45 0.02 H new ATOM 0 HB3 ASP A 202 -0.449 -9.748 -0.519 -0.45 0.02 H new ATOM 649 N ILE A 203 0.739 -6.561 -1.955 -0.36 0.02 N ATOM 650 CA ILE A 203 1.297 -5.336 -1.426 1.00 0.02 C ATOM 651 C ILE A 203 0.640 -4.908 -0.112 0.48 0.02 C ATOM 652 O ILE A 203 -0.439 -5.393 0.256 -0.48 0.02 O ATOM 653 CB ILE A 203 1.171 -4.240 -2.485 -0.10 0.02 C ATOM 654 CG1 ILE A 203 1.942 -2.986 -2.110 -0.20 0.02 C ATOM 655 CG2 ILE A 203 -0.280 -3.923 -2.737 -0.30 0.02 C ATOM 656 CD1 ILE A 203 2.290 -2.162 -3.322 -0.30 0.02 C ATOM 0 H ILE A 203 -0.004 -6.420 -2.640 -0.36 0.02 H new ATOM 0 HA ILE A 203 2.347 -5.511 -1.193 1.00 0.02 H new ATOM 0 HB ILE A 203 1.616 -4.620 -3.405 -0.10 0.02 H new ATOM 0 HG12 ILE A 203 1.348 -2.386 -1.421 -0.20 0.02 H new ATOM 0 HG13 ILE A 203 2.856 -3.264 -1.585 -0.20 0.02 H new ATOM 0 HG21 ILE A 203 -0.356 -3.141 -3.493 -0.30 0.02 H new ATOM 0 HG22 ILE A 203 -0.792 -4.819 -3.089 -0.30 0.02 H new ATOM 0 HG23 ILE A 203 -0.743 -3.579 -1.812 -0.30 0.02 H new ATOM 0 HD11 ILE A 203 2.841 -1.274 -3.012 -0.30 0.02 H new ATOM 0 HD12 ILE A 203 2.906 -2.753 -3.999 -0.30 0.02 H new ATOM 0 HD13 ILE A 203 1.375 -1.862 -3.833 -0.30 0.02 H new ATOM 668 N ASP A 204 1.312 -3.976 0.565 -0.36 0.02 N ATOM 669 CA ASP A 204 0.848 -3.430 1.836 1.00 0.02 C ATOM 670 C ASP A 204 0.205 -2.062 1.632 0.48 0.02 C ATOM 671 O ASP A 204 0.662 -1.053 2.170 -0.48 0.02 O ATOM 672 CB ASP A 204 2.015 -3.326 2.819 -0.45 0.02 C ATOM 673 CG ASP A 204 2.031 -4.464 3.820 0.49 0.02 C ATOM 674 OD1 ASP A 204 0.938 -4.907 4.233 -0.62 0.02 O ATOM 675 OD2 ASP A 204 3.135 -4.914 4.191 -0.62 0.02 O ATOM 0 H ASP A 204 2.195 -3.579 0.245 -0.36 0.02 H new ATOM 0 HA ASP A 204 0.096 -4.103 2.249 1.00 0.02 H new ATOM 0 HB2 ASP A 204 2.954 -3.320 2.265 -0.45 0.02 H new ATOM 0 HB3 ASP A 204 1.954 -2.377 3.352 -0.45 0.02 H new ATOM 680 N GLU A 205 -0.850 -2.043 0.832 -0.36 0.02 N ATOM 681 CA GLU A 205 -1.568 -0.820 0.516 1.00 0.02 C ATOM 682 C GLU A 205 -2.020 -0.056 1.761 0.48 0.02 C ATOM 683 O GLU A 205 -2.314 1.133 1.677 -0.48 0.02 O ATOM 684 CB GLU A 205 -2.779 -1.147 -0.348 -0.20 0.02 C ATOM 685 CG GLU A 205 -2.460 -1.236 -1.830 -0.45 0.02 C ATOM 686 CD GLU A 205 -2.881 -2.558 -2.442 0.49 0.02 C ATOM 687 OE1 GLU A 205 -2.985 -3.558 -1.696 -0.62 0.02 O ATOM 688 OE2 GLU A 205 -3.101 -2.594 -3.670 -0.62 0.02 O ATOM 0 H GLU A 205 -1.232 -2.876 0.384 -0.36 0.02 H new ATOM 0 HA GLU A 205 -0.875 -0.174 -0.023 1.00 0.02 H new ATOM 0 HB2 GLU A 205 -3.205 -2.095 -0.019 -0.20 0.02 H new ATOM 0 HB3 GLU A 205 -3.542 -0.384 -0.194 -0.20 0.02 H new ATOM 0 HG2 GLU A 205 -2.960 -0.422 -2.354 -0.45 0.02 H new ATOM 0 HG3 GLU A 205 -1.389 -1.098 -1.976 -0.45 0.02 H new ATOM 695 N CYS A 206 -2.095 -0.726 2.909 -0.36 0.02 N ATOM 696 CA CYS A 206 -2.532 -0.056 4.132 1.00 0.02 C ATOM 697 C CYS A 206 -1.383 0.135 5.116 0.48 0.02 C ATOM 698 O CYS A 206 -1.389 1.074 5.912 -0.48 0.02 O ATOM 699 CB CYS A 206 -3.690 -0.817 4.786 0.20 0.02 C ATOM 700 SG CYS A 206 -3.215 -2.085 6.009 -0.20 0.02 S ATOM 0 H CYS A 206 -1.864 -1.713 3.018 -0.36 0.02 H new ATOM 0 HA CYS A 206 -2.887 0.936 3.851 1.00 0.02 H new ATOM 0 HB2 CYS A 206 -4.345 -0.095 5.274 0.20 0.02 H new ATOM 0 HB3 CYS A 206 -4.274 -1.297 4.001 0.20 0.02 H new ATOM 705 N SER A 207 -0.392 -0.744 5.052 -0.36 0.02 N ATOM 706 CA SER A 207 0.761 -0.642 5.937 1.00 0.02 C ATOM 707 C SER A 207 1.493 0.668 5.679 0.48 0.02 C ATOM 708 O SER A 207 2.205 1.183 6.541 -0.48 0.02 O ATOM 709 CB SER A 207 1.707 -1.826 5.728 0.08 0.02 C ATOM 710 OG SER A 207 2.255 -2.267 6.958 -0.68 0.02 O ATOM 0 H SER A 207 -0.362 -1.530 4.402 -0.36 0.02 H new ATOM 0 HA SER A 207 0.413 -0.661 6.970 1.00 0.02 H new ATOM 0 HB2 SER A 207 1.169 -2.646 5.252 0.08 0.02 H new ATOM 0 HB3 SER A 207 2.511 -1.537 5.051 0.08 0.02 H new ATOM 0 HG SER A 207 2.854 -3.025 6.796 -0.68 0.02 H new ATOM 716 N GLU A 208 1.319 1.188 4.468 -0.36 0.02 N ATOM 717 CA GLU A 208 1.961 2.423 4.050 1.00 0.02 C ATOM 718 C GLU A 208 1.241 3.653 4.605 0.48 0.02 C ATOM 719 O GLU A 208 1.727 4.775 4.461 -0.48 0.02 O ATOM 720 CB GLU A 208 1.974 2.477 2.524 -0.20 0.02 C ATOM 721 CG GLU A 208 2.949 1.501 1.892 -0.45 0.02 C ATOM 722 CD GLU A 208 4.097 2.195 1.186 0.49 0.02 C ATOM 723 OE1 GLU A 208 4.572 3.229 1.700 -0.62 0.02 O ATOM 724 OE2 GLU A 208 4.522 1.703 0.119 -0.62 0.02 O ATOM 0 H GLU A 208 0.729 0.764 3.752 -0.36 0.02 H new ATOM 0 HA GLU A 208 2.978 2.435 4.442 1.00 0.02 H new ATOM 0 HB2 GLU A 208 0.971 2.268 2.152 -0.20 0.02 H new ATOM 0 HB3 GLU A 208 2.227 3.488 2.206 -0.20 0.02 H new ATOM 0 HG2 GLU A 208 3.348 0.841 2.663 -0.45 0.02 H new ATOM 0 HG3 GLU A 208 2.416 0.872 1.179 -0.45 0.02 H new ATOM 731 N ASN A 209 0.086 3.436 5.240 -0.36 0.02 N ATOM 732 CA ASN A 209 -0.709 4.522 5.826 1.00 0.02 C ATOM 733 C ASN A 209 -1.691 5.102 4.811 0.48 0.02 C ATOM 734 O ASN A 209 -1.590 6.267 4.425 -0.48 0.02 O ATOM 735 CB ASN A 209 0.189 5.633 6.384 -0.20 0.02 C ATOM 736 CG ASN A 209 -0.363 6.234 7.662 0.48 0.02 C ATOM 737 OD1 ASN A 209 -1.497 6.712 7.697 -0.48 0.02 O ATOM 738 ND2 ASN A 209 0.438 6.212 8.721 -0.52 0.02 N ATOM 0 H ASN A 209 -0.323 2.510 5.363 -0.36 0.02 H new ATOM 0 HA ASN A 209 -1.279 4.093 6.650 1.00 0.02 H new ATOM 0 HB2 ASN A 209 1.184 5.231 6.575 -0.20 0.02 H new ATOM 0 HB3 ASN A 209 0.300 6.417 5.635 -0.20 0.02 H new ATOM 0 HD21 ASN A 209 0.121 6.601 9.609 -0.52 0.02 H new ATOM 0 HD22 ASN A 209 1.371 5.806 8.647 -0.52 0.02 H new ATOM 745 N MET A 210 -2.645 4.278 4.389 -0.36 0.02 N ATOM 746 CA MET A 210 -3.657 4.701 3.421 1.00 0.02 C ATOM 747 C MET A 210 -5.052 4.381 3.903 0.48 0.02 C ATOM 748 O MET A 210 -6.021 5.002 3.466 -0.48 0.02 O ATOM 749 CB MET A 210 -3.403 4.056 2.058 -0.20 0.02 C ATOM 750 CG MET A 210 -1.927 3.930 1.713 -0.11 5.02 C ATOM 751 SD MET A 210 -1.587 4.261 -0.027 -0.17 0.02 S ATOM 752 CE MET A 210 -2.181 2.750 -0.782 -0.21 5.02 C ATOM 0 H MET A 210 -2.740 3.312 4.701 -0.36 0.02 H new ATOM 0 HA MET A 210 -3.580 5.783 3.316 1.00 0.02 H new ATOM 0 HB2 MET A 210 -3.857 3.065 2.043 -0.20 0.02 H new ATOM 0 HB3 MET A 210 -3.899 4.646 1.287 -0.20 0.02 H new ATOM 0 HG2 MET A 210 -1.354 4.623 2.329 -0.11 5.02 H new ATOM 0 HG3 MET A 210 -1.585 2.925 1.961 -0.11 5.02 H new ATOM 0 HE1 MET A 210 -2.323 2.909 -1.851 -0.21 5.02 H new ATOM 0 HE2 MET A 210 -1.452 1.955 -0.627 -0.21 5.02 H new ATOM 0 HE3 MET A 210 -3.130 2.465 -0.328 -0.21 5.02 H new ATOM 762 N CYS A 211 -5.164 3.426 4.804 -0.36 0.02 N ATOM 763 CA CYS A 211 -6.467 3.064 5.325 1.00 0.02 C ATOM 764 C CYS A 211 -6.635 3.521 6.752 0.48 0.02 C ATOM 765 O CYS A 211 -5.704 3.454 7.556 -0.48 0.02 O ATOM 766 CB CYS A 211 -6.708 1.558 5.228 0.20 0.02 C ATOM 767 SG CYS A 211 -7.252 0.989 3.592 -0.20 0.02 S ATOM 0 H CYS A 211 -4.382 2.894 5.186 -0.36 0.02 H new ATOM 0 HA CYS A 211 -7.208 3.573 4.709 1.00 0.02 H new ATOM 0 HB2 CYS A 211 -5.788 1.037 5.493 0.20 0.02 H new ATOM 0 HB3 CYS A 211 -7.458 1.274 5.966 0.20 0.02 H new ATOM 772 N ALA A 212 -7.837 3.980 7.069 -0.36 0.02 N ATOM 773 CA ALA A 212 -8.129 4.436 8.405 1.00 0.02 C ATOM 774 C ALA A 212 -8.900 3.375 9.188 0.48 0.02 C ATOM 775 O ALA A 212 -9.400 2.413 8.607 -0.48 0.02 O ATOM 776 CB ALA A 212 -8.903 5.745 8.365 -0.30 0.02 C ATOM 0 H ALA A 212 -8.618 4.043 6.416 -0.36 0.02 H new ATOM 0 HA ALA A 212 -7.184 4.611 8.918 1.00 0.02 H new ATOM 0 HB1 ALA A 212 -9.115 6.074 9.382 -0.30 0.02 H new ATOM 0 HB2 ALA A 212 -8.309 6.503 7.855 -0.30 0.02 H new ATOM 0 HB3 ALA A 212 -9.841 5.597 7.829 -0.30 0.02 H new ATOM 782 N GLN A 213 -9.007 3.562 10.502 -0.36 0.02 N ATOM 783 CA GLN A 213 -9.736 2.622 11.354 1.00 0.02 C ATOM 784 C GLN A 213 -9.216 1.193 11.188 0.48 0.02 C ATOM 785 O GLN A 213 -8.352 0.746 11.943 -0.48 0.02 O ATOM 786 CB GLN A 213 -11.228 2.686 11.041 -0.20 0.02 C ATOM 787 CG GLN A 213 -12.015 3.532 12.027 -0.20 0.02 C ATOM 788 CD GLN A 213 -12.024 2.943 13.424 0.48 0.02 C ATOM 789 OE1 GLN A 213 -11.580 3.577 14.381 -0.48 0.02 O ATOM 790 NE2 GLN A 213 -12.532 1.722 13.548 -0.52 0.02 N ATOM 0 H GLN A 213 -8.600 4.354 11.000 -0.36 0.02 H new ATOM 0 HA GLN A 213 -9.574 2.911 12.392 1.00 0.02 H new ATOM 0 HB2 GLN A 213 -11.364 3.089 10.038 -0.20 0.02 H new ATOM 0 HB3 GLN A 213 -11.634 1.675 11.036 -0.20 0.02 H new ATOM 0 HG2 GLN A 213 -11.588 4.534 12.062 -0.20 0.02 H new ATOM 0 HG3 GLN A 213 -13.041 3.635 11.674 -0.20 0.02 H new ATOM 0 HE21 GLN A 213 -12.889 1.233 12.728 -0.52 0.02 H new ATOM 0 HE22 GLN A 213 -12.565 1.274 14.464 -0.52 0.02 H new ATOM 799 N LEU A 214 -9.741 0.486 10.192 -0.36 0.02 N ATOM 800 CA LEU A 214 -9.330 -0.882 9.916 1.00 0.02 C ATOM 801 C LEU A 214 -8.969 -1.040 8.462 0.48 0.02 C ATOM 802 O LEU A 214 -9.724 -0.621 7.592 -0.48 0.02 O ATOM 803 CB LEU A 214 -10.450 -1.847 10.249 -0.20 0.02 C ATOM 804 CG LEU A 214 -10.763 -1.948 11.727 -0.10 0.02 C ATOM 805 CD1 LEU A 214 -9.497 -2.306 12.488 -0.30 0.02 C ATOM 806 CD2 LEU A 214 -11.354 -0.640 12.224 -0.30 0.02 C ATOM 0 H LEU A 214 -10.457 0.843 9.560 -0.36 0.02 H new ATOM 0 HA LEU A 214 -8.460 -1.103 10.534 1.00 0.02 H new ATOM 0 HB2 LEU A 214 -11.351 -1.538 9.719 -0.20 0.02 H new ATOM 0 HB3 LEU A 214 -10.185 -2.837 9.877 -0.20 0.02 H new ATOM 0 HG LEU A 214 -11.501 -2.733 11.895 -0.10 0.02 H new ATOM 0 HD11 LEU A 214 -9.721 -2.379 13.552 -0.30 0.02 H new ATOM 0 HD12 LEU A 214 -9.116 -3.263 12.131 -0.30 0.02 H new ATOM 0 HD13 LEU A 214 -8.745 -1.533 12.327 -0.30 0.02 H new ATOM 0 HD21 LEU A 214 -11.576 -0.722 13.288 -0.30 0.02 H new ATOM 0 HD22 LEU A 214 -10.639 0.167 12.064 -0.30 0.02 H new ATOM 0 HD23 LEU A 214 -12.272 -0.425 11.677 -0.30 0.02 H new ATOM 818 N CYS A 215 -7.806 -1.602 8.180 -0.36 0.02 N ATOM 819 CA CYS A 215 -7.396 -1.740 6.805 1.00 0.02 C ATOM 820 C CYS A 215 -7.334 -3.188 6.322 0.48 0.02 C ATOM 821 O CYS A 215 -6.306 -3.851 6.459 -0.48 0.02 O ATOM 822 CB CYS A 215 -6.034 -1.083 6.608 0.20 0.02 C ATOM 823 SG CYS A 215 -4.644 -1.922 7.448 -0.20 0.02 S ATOM 0 H CYS A 215 -7.147 -1.961 8.871 -0.36 0.02 H new ATOM 0 HA CYS A 215 -8.160 -1.244 6.206 1.00 0.02 H new ATOM 0 HB2 CYS A 215 -5.820 -1.038 5.540 0.20 0.02 H new ATOM 0 HB3 CYS A 215 -6.088 -0.055 6.966 0.20 0.02 H new ATOM 828 N VAL A 216 -8.401 -3.665 5.686 -0.36 0.02 N ATOM 829 CA VAL A 216 -8.374 -5.006 5.125 1.00 0.02 C ATOM 830 C VAL A 216 -7.922 -4.888 3.695 0.48 0.02 C ATOM 831 O VAL A 216 -8.722 -4.677 2.783 -0.48 0.02 O ATOM 832 CB VAL A 216 -9.725 -5.741 5.152 -0.10 0.02 C ATOM 833 CG1 VAL A 216 -9.852 -6.726 3.981 -0.30 0.02 C ATOM 834 CG2 VAL A 216 -9.919 -6.477 6.471 -0.30 0.02 C ATOM 0 H VAL A 216 -9.274 -3.155 5.550 -0.36 0.02 H new ATOM 0 HA VAL A 216 -7.699 -5.598 5.744 1.00 0.02 H new ATOM 0 HB VAL A 216 -10.505 -4.986 5.052 -0.10 0.02 H new ATOM 0 HG11 VAL A 216 -10.818 -7.228 4.031 -0.30 0.02 H new ATOM 0 HG12 VAL A 216 -9.773 -6.183 3.039 -0.30 0.02 H new ATOM 0 HG13 VAL A 216 -9.055 -7.467 4.041 -0.30 0.02 H new ATOM 0 HG21 VAL A 216 -10.882 -6.988 6.464 -0.30 0.02 H new ATOM 0 HG22 VAL A 216 -9.121 -7.208 6.601 -0.30 0.02 H new ATOM 0 HG23 VAL A 216 -9.894 -5.762 7.294 -0.30 0.02 H new ATOM 844 N ASN A 217 -6.643 -5.009 3.502 -0.36 0.02 N ATOM 845 CA ASN A 217 -6.098 -4.913 2.180 1.00 0.02 C ATOM 846 C ASN A 217 -6.093 -6.294 1.543 0.48 0.02 C ATOM 847 O ASN A 217 -5.273 -7.133 1.915 -0.48 0.02 O ATOM 848 CB ASN A 217 -4.687 -4.337 2.220 -0.20 0.02 C ATOM 849 CG ASN A 217 -3.993 -4.455 0.885 0.48 0.02 C ATOM 850 OD1 ASN A 217 -4.633 -4.692 -0.140 -0.48 0.02 O ATOM 851 ND2 ASN A 217 -2.684 -4.282 0.889 -0.52 0.02 N ATOM 0 H ASN A 217 -5.959 -5.174 4.240 -0.36 0.02 H new ATOM 0 HA ASN A 217 -6.715 -4.241 1.584 1.00 0.02 H new ATOM 0 HB2 ASN A 217 -4.731 -3.289 2.515 -0.20 0.02 H new ATOM 0 HB3 ASN A 217 -4.104 -4.857 2.980 -0.20 0.02 H new ATOM 0 HD21 ASN A 217 -2.159 -4.343 0.017 -0.52 0.02 H new ATOM 0 HD22 ASN A 217 -2.198 -4.088 1.764 -0.52 0.02 H new ATOM 858 N TYR A 218 -7.006 -6.566 0.602 -0.36 0.02 N ATOM 859 CA TYR A 218 -7.027 -7.888 0.006 1.00 0.02 C ATOM 860 C TYR A 218 -6.032 -7.982 -1.127 0.48 0.02 C ATOM 861 O TYR A 218 -5.470 -6.968 -1.566 -0.48 0.02 O ATOM 862 CB TYR A 218 -8.441 -8.305 -0.447 -0.20 0.02 C ATOM 863 CG TYR A 218 -9.245 -7.267 -1.202 1.00 0.02 C ATOM 864 CD1 TYR A 218 -9.176 -7.175 -2.589 -0.14 0.02 C ATOM 865 CD2 TYR A 218 -10.113 -6.414 -0.531 -0.14 0.02 C ATOM 866 CE1 TYR A 218 -9.947 -6.260 -3.283 -0.14 0.02 C ATOM 867 CE2 TYR A 218 -10.881 -5.491 -1.218 -0.14 0.02 C ATOM 868 CZ TYR A 218 -10.796 -5.420 -2.593 0.20 0.02 C ATOM 869 OH TYR A 218 -11.565 -4.508 -3.280 -0.60 0.02 O ATOM 0 H TYR A 218 -7.708 -5.913 0.255 -0.36 0.02 H new ATOM 0 HA TYR A 218 -6.729 -8.596 0.780 1.00 0.02 H new ATOM 0 HB2 TYR A 218 -8.350 -9.190 -1.077 -0.20 0.02 H new ATOM 0 HB3 TYR A 218 -9.009 -8.600 0.436 -0.20 0.02 H new ATOM 0 HD1 TYR A 218 -8.510 -7.829 -3.132 -0.14 0.02 H new ATOM 0 HD2 TYR A 218 -10.189 -6.473 0.545 -0.14 0.02 H new ATOM 0 HE1 TYR A 218 -9.885 -6.204 -4.360 -0.14 0.02 H new ATOM 0 HE2 TYR A 218 -11.544 -4.829 -0.680 -0.14 0.02 H new ATOM 0 HH TYR A 218 -12.108 -3.995 -2.646 -0.60 0.02 H new ATOM 879 N PRO A 219 -5.748 -9.206 -1.594 -0.36 0.02 N ATOM 880 CA PRO A 219 -4.788 -9.404 -2.655 1.00 0.02 C ATOM 881 C PRO A 219 -5.097 -8.513 -3.851 0.48 0.02 C ATOM 882 O PRO A 219 -5.985 -8.812 -4.649 -0.48 0.02 O ATOM 883 CB PRO A 219 -4.922 -10.890 -3.025 -0.20 0.02 C ATOM 884 CG PRO A 219 -6.135 -11.377 -2.304 -0.20 0.02 C ATOM 885 CD PRO A 219 -6.294 -10.484 -1.110 0.06 0.02 C ATOM 0 HA PRO A 219 -3.775 -9.145 -2.346 1.00 0.02 H new ATOM 0 HB2 PRO A 219 -5.029 -11.017 -4.102 -0.20 0.02 H new ATOM 0 HB3 PRO A 219 -4.036 -11.450 -2.724 -0.20 0.02 H new ATOM 0 HG2 PRO A 219 -7.015 -11.331 -2.946 -0.20 0.02 H new ATOM 0 HG3 PRO A 219 -6.017 -12.417 -2.000 -0.20 0.02 H new ATOM 0 HD2 PRO A 219 -7.337 -10.391 -0.808 0.06 0.02 H new ATOM 0 HD3 PRO A 219 -5.745 -10.859 -0.247 0.06 0.02 H new ATOM 893 N GLY A 220 -4.353 -7.422 -3.970 -0.36 0.02 N ATOM 894 CA GLY A 220 -4.555 -6.505 -5.073 -0.10 0.02 C ATOM 895 C GLY A 220 -5.259 -5.228 -4.662 0.48 0.02 C ATOM 896 O GLY A 220 -4.656 -4.156 -4.647 -0.48 0.02 O ATOM 0 H GLY A 220 -3.612 -7.156 -3.321 -0.36 0.02 H new ATOM 0 HA2 GLY A 220 -3.589 -6.255 -5.512 -0.10 0.02 H new ATOM 0 HA3 GLY A 220 -5.139 -7.001 -5.848 -0.10 0.02 H new ATOM 900 N GLY A 221 -6.542 -5.337 -4.348 -0.36 0.02 N ATOM 901 CA GLY A 221 -7.312 -4.170 -3.957 -0.10 0.02 C ATOM 902 C GLY A 221 -7.539 -4.057 -2.467 0.48 0.02 C ATOM 903 O GLY A 221 -8.331 -4.798 -1.885 -0.48 0.02 O ATOM 0 H GLY A 221 -7.065 -6.213 -4.357 -0.36 0.02 H new ATOM 0 HA2 GLY A 221 -6.798 -3.274 -4.305 -0.10 0.02 H new ATOM 0 HA3 GLY A 221 -8.278 -4.199 -4.461 -0.10 0.02 H new ATOM 907 N TYR A 222 -6.827 -3.167 -1.815 -0.36 0.02 N ATOM 908 CA TYR A 222 -6.978 -3.025 -0.388 1.00 0.02 C ATOM 909 C TYR A 222 -8.355 -2.471 -0.011 0.48 0.02 C ATOM 910 O TYR A 222 -9.183 -2.198 -0.880 -0.48 0.02 O ATOM 911 CB TYR A 222 -5.896 -2.113 0.150 -0.20 0.02 C ATOM 912 CG TYR A 222 -6.000 -0.725 -0.404 1.00 0.02 C ATOM 913 CD1 TYR A 222 -5.428 -0.403 -1.620 -0.14 0.02 C ATOM 914 CD2 TYR A 222 -6.678 0.254 0.290 -0.14 0.02 C ATOM 915 CE1 TYR A 222 -5.525 0.875 -2.135 -0.14 0.02 C ATOM 916 CE2 TYR A 222 -6.786 1.537 -0.210 -0.14 0.02 C ATOM 917 CZ TYR A 222 -6.205 1.844 -1.424 0.20 0.02 C ATOM 918 OH TYR A 222 -6.307 3.120 -1.930 -0.60 0.02 O ATOM 0 H TYR A 222 -6.147 -2.539 -2.244 -0.36 0.02 H new ATOM 0 HA TYR A 222 -6.887 -4.016 0.056 1.00 0.02 H new ATOM 0 HB2 TYR A 222 -5.963 -2.075 1.237 -0.20 0.02 H new ATOM 0 HB3 TYR A 222 -4.918 -2.528 -0.095 -0.20 0.02 H new ATOM 0 HD1 TYR A 222 -4.897 -1.162 -2.176 -0.14 0.02 H new ATOM 0 HD2 TYR A 222 -7.132 0.014 1.240 -0.14 0.02 H new ATOM 0 HE1 TYR A 222 -5.073 1.114 -3.086 -0.14 0.02 H new ATOM 0 HE2 TYR A 222 -7.321 2.294 0.344 -0.14 0.02 H new ATOM 0 HH TYR A 222 -6.817 3.679 -1.308 -0.60 0.02 H new ATOM 928 N THR A 223 -8.585 -2.296 1.293 -0.36 0.02 N ATOM 929 CA THR A 223 -9.853 -1.761 1.783 1.00 0.02 C ATOM 930 C THR A 223 -9.701 -1.193 3.189 0.48 0.02 C ATOM 931 O THR A 223 -8.865 -1.643 3.971 -0.48 0.02 O ATOM 932 CB THR A 223 -10.933 -2.849 1.738 0.18 0.02 C ATOM 933 OG1 THR A 223 -11.427 -3.001 0.421 -0.68 0.02 O ATOM 934 CG2 THR A 223 -12.120 -2.585 2.635 -0.30 0.02 C ATOM 0 H THR A 223 -7.910 -2.517 2.025 -0.36 0.02 H new ATOM 0 HA THR A 223 -10.160 -0.942 1.133 1.00 0.02 H new ATOM 0 HB THR A 223 -10.434 -3.750 2.095 0.18 0.02 H new ATOM 0 HG1 THR A 223 -10.775 -2.642 -0.216 -0.68 0.02 H new ATOM 0 HG21 THR A 223 -12.835 -3.402 2.542 -0.30 0.02 H new ATOM 0 HG22 THR A 223 -11.785 -2.512 3.670 -0.30 0.02 H new ATOM 0 HG23 THR A 223 -12.597 -1.650 2.341 -0.30 0.02 H new ATOM 942 N CYS A 224 -10.512 -0.183 3.487 -0.36 0.02 N ATOM 943 CA CYS A 224 -10.474 0.476 4.784 1.00 0.02 C ATOM 944 C CYS A 224 -11.856 0.493 5.432 0.48 0.02 C ATOM 945 O CYS A 224 -12.723 1.272 5.036 -0.48 0.02 O ATOM 946 CB CYS A 224 -9.957 1.911 4.630 0.20 0.02 C ATOM 947 SG CYS A 224 -8.854 2.163 3.198 -0.20 0.02 S ATOM 0 H CYS A 224 -11.206 0.197 2.843 -0.36 0.02 H new ATOM 0 HA CYS A 224 -9.798 -0.086 5.429 1.00 0.02 H new ATOM 0 HB2 CYS A 224 -10.810 2.584 4.540 0.20 0.02 H new ATOM 0 HB3 CYS A 224 -9.424 2.192 5.538 0.20 0.02 H new ATOM 952 N TYR A 225 -12.053 -0.351 6.444 -0.36 0.02 N ATOM 953 CA TYR A 225 -13.328 -0.396 7.147 1.00 0.02 C ATOM 954 C TYR A 225 -13.242 0.367 8.459 0.48 0.02 C ATOM 955 O TYR A 225 -12.241 0.312 9.172 -0.48 0.02 O ATOM 956 CB TYR A 225 -13.827 -1.828 7.365 -0.20 0.02 C ATOM 957 CG TYR A 225 -12.831 -2.781 7.980 1.00 0.02 C ATOM 958 CD1 TYR A 225 -11.682 -3.158 7.302 -0.14 0.02 C ATOM 959 CD2 TYR A 225 -13.064 -3.329 9.232 -0.14 0.02 C ATOM 960 CE1 TYR A 225 -10.795 -4.053 7.848 -0.14 0.02 C ATOM 961 CE2 TYR A 225 -12.176 -4.227 9.793 -0.14 0.02 C ATOM 962 CZ TYR A 225 -11.043 -4.589 9.094 0.20 0.02 C ATOM 963 OH TYR A 225 -10.155 -5.486 9.644 -0.60 0.02 O ATOM 0 H TYR A 225 -11.352 -1.006 6.791 -0.36 0.02 H new ATOM 0 HA TYR A 225 -14.066 0.093 6.511 1.00 0.02 H new ATOM 0 HB2 TYR A 225 -14.710 -1.792 8.003 -0.20 0.02 H new ATOM 0 HB3 TYR A 225 -14.144 -2.233 6.404 -0.20 0.02 H new ATOM 0 HD1 TYR A 225 -11.481 -2.740 6.327 -0.14 0.02 H new ATOM 0 HD2 TYR A 225 -13.953 -3.050 9.777 -0.14 0.02 H new ATOM 0 HE1 TYR A 225 -9.906 -4.336 7.303 -0.14 0.02 H new ATOM 0 HE2 TYR A 225 -12.368 -4.642 10.771 -0.14 0.02 H new ATOM 0 HH TYR A 225 -10.477 -5.767 10.526 -0.60 0.02 H new ATOM 973 N CYS A 226 -14.284 1.134 8.723 -0.36 0.02 N ATOM 974 CA CYS A 226 -14.347 1.993 9.897 1.00 0.02 C ATOM 975 C CYS A 226 -15.441 1.569 10.864 0.48 0.02 C ATOM 976 O CYS A 226 -15.979 0.465 10.771 -0.48 0.02 O ATOM 977 CB CYS A 226 -14.599 3.414 9.433 0.20 0.02 C ATOM 978 SG CYS A 226 -14.127 3.699 7.701 -0.20 0.02 S ATOM 0 H CYS A 226 -15.113 1.181 8.130 -0.36 0.02 H new ATOM 0 HA CYS A 226 -13.401 1.916 10.432 1.00 0.02 H new ATOM 0 HB2 CYS A 226 -15.656 3.647 9.557 0.20 0.02 H new ATOM 0 HB3 CYS A 226 -14.044 4.101 10.071 0.20 0.02 H new ATOM 983 N ASP A 227 -15.762 2.461 11.799 -0.36 0.02 N ATOM 984 CA ASP A 227 -16.785 2.188 12.787 1.00 0.02 C ATOM 985 C ASP A 227 -16.395 1.015 13.675 0.48 0.02 C ATOM 986 O ASP A 227 -16.810 -0.121 13.444 -0.48 0.02 O ATOM 987 CB ASP A 227 -18.116 1.912 12.096 -0.45 0.02 C ATOM 988 CG ASP A 227 -19.245 1.670 13.081 0.49 0.02 C ATOM 989 OD1 ASP A 227 -19.182 0.664 13.819 -0.62 0.02 O ATOM 990 OD2 ASP A 227 -20.191 2.484 13.115 -0.62 0.02 O ATOM 0 H ASP A 227 -15.324 3.378 11.887 -0.36 0.02 H new ATOM 0 HA ASP A 227 -16.888 3.067 13.423 1.00 0.02 H new ATOM 0 HB2 ASP A 227 -18.371 2.757 11.457 -0.45 0.02 H new ATOM 0 HB3 ASP A 227 -18.011 1.042 11.448 -0.45 0.02 H new ATOM 995 N GLY A 228 -15.600 1.305 14.695 -0.36 0.02 N ATOM 996 CA GLY A 228 -15.167 0.276 15.616 -0.10 0.02 C ATOM 997 C GLY A 228 -15.048 0.801 17.031 0.48 0.02 C ATOM 998 O GLY A 228 -15.883 0.502 17.884 -0.48 0.02 O ATOM 0 H GLY A 228 -15.246 2.239 14.901 -0.36 0.02 H new ATOM 0 HA2 GLY A 228 -15.875 -0.552 15.594 -0.10 0.02 H new ATOM 0 HA3 GLY A 228 -14.204 -0.119 15.293 -0.10 0.02 H new ATOM 1002 N LYS A 229 -14.015 1.599 17.277 -0.36 0.02 N ATOM 1003 CA LYS A 229 -13.798 2.182 18.594 1.00 0.02 C ATOM 1004 C LYS A 229 -14.677 3.418 18.784 0.48 0.02 C ATOM 1005 O LYS A 229 -14.913 3.855 19.910 -0.48 0.02 O ATOM 1006 CB LYS A 229 -12.325 2.554 18.777 -0.20 0.02 C ATOM 1007 CG LYS A 229 -11.768 3.407 17.647 -0.20 0.02 C ATOM 1008 CD LYS A 229 -11.213 4.730 18.157 -0.20 0.02 C ATOM 1009 CE LYS A 229 -9.721 4.851 17.893 0.30 5.02 C ATOM 1010 NZ LYS A 229 -9.341 6.228 17.472 -0.81 0.02 N ATOM 0 H LYS A 229 -13.315 1.856 16.581 -0.36 0.02 H new ATOM 0 HA LYS A 229 -14.069 1.441 19.345 1.00 0.02 H new ATOM 0 HB2 LYS A 229 -12.209 3.091 19.718 -0.20 0.02 H new ATOM 0 HB3 LYS A 229 -11.735 1.641 18.856 -0.20 0.02 H new ATOM 0 HG2 LYS A 229 -10.981 2.857 17.131 -0.20 0.02 H new ATOM 0 HG3 LYS A 229 -12.553 3.600 16.916 -0.20 0.02 H new ATOM 0 HD2 LYS A 229 -11.736 5.555 17.674 -0.20 0.02 H new ATOM 0 HD3 LYS A 229 -11.402 4.816 19.227 -0.20 0.02 H new ATOM 0 HE2 LYS A 229 -9.170 4.582 18.794 0.30 5.02 H new ATOM 0 HE3 LYS A 229 -9.431 4.141 17.118 0.30 5.02 H new ATOM 0 HZ1 LYS A 229 -8.316 6.268 17.302 -0.81 0.02 H new ATOM 0 HZ2 LYS A 229 -9.847 6.476 16.598 -0.81 0.02 H new ATOM 0 HZ3 LYS A 229 -9.594 6.903 18.222 -0.81 0.02 H new ATOM 1024 N LYS A 230 -15.158 3.975 17.674 -0.36 0.02 N ATOM 1025 CA LYS A 230 -16.011 5.157 17.714 1.00 0.02 C ATOM 1026 C LYS A 230 -17.430 4.821 17.266 0.48 0.02 C ATOM 1027 O LYS A 230 -18.403 5.365 17.788 -0.48 0.02 O ATOM 1028 CB LYS A 230 -15.433 6.254 16.826 -0.20 0.02 C ATOM 1029 CG LYS A 230 -14.171 6.893 17.386 -0.20 0.02 C ATOM 1030 CD LYS A 230 -14.152 8.397 17.151 -0.20 0.02 C ATOM 1031 CE LYS A 230 -13.912 9.163 18.443 0.30 5.02 C ATOM 1032 NZ LYS A 230 -12.504 9.635 18.557 -0.81 0.02 N ATOM 0 H LYS A 230 -14.970 3.624 16.735 -0.36 0.02 H new ATOM 0 HA LYS A 230 -16.049 5.512 18.744 1.00 0.02 H new ATOM 0 HB2 LYS A 230 -15.213 5.836 15.844 -0.20 0.02 H new ATOM 0 HB3 LYS A 230 -16.188 7.027 16.681 -0.20 0.02 H new ATOM 0 HG2 LYS A 230 -14.104 6.690 18.455 -0.20 0.02 H new ATOM 0 HG3 LYS A 230 -13.296 6.440 16.920 -0.20 0.02 H new ATOM 0 HD2 LYS A 230 -13.372 8.643 16.431 -0.20 0.02 H new ATOM 0 HD3 LYS A 230 -15.100 8.709 16.713 -0.20 0.02 H new ATOM 0 HE2 LYS A 230 -14.586 10.018 18.488 0.30 5.02 H new ATOM 0 HE3 LYS A 230 -14.150 8.524 19.293 0.30 5.02 H new ATOM 0 HZ1 LYS A 230 -12.383 10.152 19.451 -0.81 0.02 H new ATOM 0 HZ2 LYS A 230 -11.861 8.818 18.540 -0.81 0.02 H new ATOM 0 HZ3 LYS A 230 -12.284 10.265 17.760 -0.81 0.02 H new ATOM 1046 N GLY A 231 -17.539 3.918 16.295 -0.36 0.02 N ATOM 1047 CA GLY A 231 -18.841 3.519 15.791 -0.10 0.02 C ATOM 1048 C GLY A 231 -19.411 4.509 14.792 0.48 0.02 C ATOM 1049 O GLY A 231 -20.446 5.126 15.043 -0.48 0.02 O ATOM 0 H GLY A 231 -16.747 3.455 15.848 -0.36 0.02 H new ATOM 0 HA2 GLY A 231 -18.759 2.540 15.319 -0.10 0.02 H new ATOM 0 HA3 GLY A 231 -19.533 3.413 16.627 -0.10 0.02 H new ATOM 1053 N PHE A 232 -18.732 4.667 13.659 -0.36 0.02 N ATOM 1054 CA PHE A 232 -19.178 5.596 12.625 1.00 0.02 C ATOM 1055 C PHE A 232 -19.339 4.917 11.256 0.48 0.02 C ATOM 1056 O PHE A 232 -19.982 3.874 11.150 -0.48 0.02 O ATOM 1057 CB PHE A 232 -18.225 6.776 12.536 -0.16 0.02 C ATOM 1058 CG PHE A 232 -16.769 6.447 12.480 0.03 0.02 C ATOM 1059 CD1 PHE A 232 -16.145 6.211 11.269 -0.16 0.02 C ATOM 1060 CD2 PHE A 232 -16.011 6.446 13.635 -0.16 0.02 C ATOM 1061 CE1 PHE A 232 -14.792 5.979 11.214 -0.15 0.02 C ATOM 1062 CE2 PHE A 232 -14.655 6.200 13.589 -0.15 0.02 C ATOM 1063 CZ PHE A 232 -14.042 5.969 12.374 -0.15 0.02 C ATOM 0 H PHE A 232 -17.873 4.165 13.434 -0.36 0.02 H new ATOM 0 HA PHE A 232 -20.166 5.956 12.913 1.00 0.02 H new ATOM 0 HB2 PHE A 232 -18.479 7.355 11.648 -0.16 0.02 H new ATOM 0 HB3 PHE A 232 -18.397 7.421 13.398 -0.16 0.02 H new ATOM 0 HD1 PHE A 232 -16.726 6.209 10.359 -0.16 0.02 H new ATOM 0 HD2 PHE A 232 -16.486 6.640 14.585 -0.16 0.02 H new ATOM 0 HE1 PHE A 232 -14.314 5.804 10.262 -0.15 0.02 H new ATOM 0 HE2 PHE A 232 -14.075 6.188 14.500 -0.15 0.02 H new ATOM 0 HZ PHE A 232 -12.979 5.781 12.330 -0.15 0.02 H new ATOM 1073 N LYS A 233 -18.785 5.526 10.202 -0.36 0.02 N ATOM 1074 CA LYS A 233 -18.899 4.983 8.856 1.00 0.02 C ATOM 1075 C LYS A 233 -17.823 5.553 7.929 0.48 0.02 C ATOM 1076 O LYS A 233 -17.268 6.620 8.185 -0.48 0.02 O ATOM 1077 CB LYS A 233 -20.270 5.324 8.306 -0.20 0.02 C ATOM 1078 CG LYS A 233 -21.219 4.138 8.241 -0.20 0.02 C ATOM 1079 CD LYS A 233 -22.655 4.584 8.017 -0.20 0.02 C ATOM 1080 CE LYS A 233 -23.497 3.470 7.415 0.30 5.02 C ATOM 1081 NZ LYS A 233 -23.515 2.258 8.280 -0.81 0.02 N ATOM 0 H LYS A 233 -18.254 6.395 10.261 -0.36 0.02 H new ATOM 0 HA LYS A 233 -18.762 3.903 8.905 1.00 0.02 H new ATOM 0 HB2 LYS A 233 -20.717 6.101 8.926 -0.20 0.02 H new ATOM 0 HB3 LYS A 233 -20.156 5.741 7.305 -0.20 0.02 H new ATOM 0 HG2 LYS A 233 -20.914 3.471 7.435 -0.20 0.02 H new ATOM 0 HG3 LYS A 233 -21.154 3.568 9.168 -0.20 0.02 H new ATOM 0 HD2 LYS A 233 -23.091 4.900 8.965 -0.20 0.02 H new ATOM 0 HD3 LYS A 233 -22.669 5.450 7.356 -0.20 0.02 H new ATOM 0 HE2 LYS A 233 -24.517 3.825 7.267 0.30 5.02 H new ATOM 0 HE3 LYS A 233 -23.104 3.209 6.432 0.30 5.02 H new ATOM 0 HZ1 LYS A 233 -24.179 1.561 7.887 -0.81 0.02 H new ATOM 0 HZ2 LYS A 233 -22.561 1.845 8.318 -0.81 0.02 H new ATOM 0 HZ3 LYS A 233 -23.817 2.521 9.240 -0.81 0.02 H new ATOM 1095 N LEU A 234 -17.537 4.835 6.849 -0.36 0.02 N ATOM 1096 CA LEU A 234 -16.533 5.267 5.881 1.00 0.02 C ATOM 1097 C LEU A 234 -16.914 6.599 5.237 0.48 0.02 C ATOM 1098 O LEU A 234 -17.909 6.689 4.517 -0.48 0.02 O ATOM 1099 CB LEU A 234 -16.362 4.197 4.796 -0.20 0.02 C ATOM 1100 CG LEU A 234 -14.927 3.968 4.316 -0.10 0.02 C ATOM 1101 CD1 LEU A 234 -14.819 2.646 3.571 -0.30 0.02 C ATOM 1102 CD2 LEU A 234 -14.468 5.116 3.432 -0.30 0.02 C ATOM 0 H LEU A 234 -17.987 3.949 6.620 -0.36 0.02 H new ATOM 0 HA LEU A 234 -15.592 5.406 6.413 1.00 0.02 H new ATOM 0 HB2 LEU A 234 -16.754 3.254 5.176 -0.20 0.02 H new ATOM 0 HB3 LEU A 234 -16.974 4.474 3.937 -0.20 0.02 H new ATOM 0 HG LEU A 234 -14.276 3.927 5.189 -0.10 0.02 H new ATOM 0 HD11 LEU A 234 -13.792 2.500 3.237 -0.30 0.02 H new ATOM 0 HD12 LEU A 234 -15.105 1.830 4.235 -0.30 0.02 H new ATOM 0 HD13 LEU A 234 -15.483 2.660 2.707 -0.30 0.02 H new ATOM 0 HD21 LEU A 234 -13.445 4.934 3.101 -0.30 0.02 H new ATOM 0 HD22 LEU A 234 -15.122 5.191 2.564 -0.30 0.02 H new ATOM 0 HD23 LEU A 234 -14.506 6.048 3.996 -0.30 0.02 H new ATOM 1114 N ALA A 235 -16.108 7.629 5.492 -0.36 0.02 N ATOM 1115 CA ALA A 235 -16.348 8.956 4.927 1.00 0.02 C ATOM 1116 C ALA A 235 -16.462 8.895 3.407 0.48 0.02 C ATOM 1117 O ALA A 235 -16.514 7.814 2.821 -0.48 0.02 O ATOM 1118 CB ALA A 235 -15.237 9.913 5.325 -0.30 0.02 C ATOM 0 H ALA A 235 -15.282 7.570 6.087 -0.36 0.02 H new ATOM 0 HA ALA A 235 -17.293 9.322 5.328 1.00 0.02 H new ATOM 0 HB1 ALA A 235 -15.432 10.896 4.896 -0.30 0.02 H new ATOM 0 HB2 ALA A 235 -15.197 9.993 6.411 -0.30 0.02 H new ATOM 0 HB3 ALA A 235 -14.283 9.538 4.954 -0.30 0.02 H new ATOM 1124 N GLN A 236 -16.488 10.064 2.769 -0.36 0.02 N ATOM 1125 CA GLN A 236 -16.581 10.134 1.316 1.00 0.02 C ATOM 1126 C GLN A 236 -15.414 9.410 0.672 0.48 0.02 C ATOM 1127 O GLN A 236 -15.593 8.655 -0.284 -0.48 0.02 O ATOM 1128 CB GLN A 236 -16.635 11.590 0.847 -0.20 0.02 C ATOM 1129 CG GLN A 236 -17.850 11.908 -0.008 -0.20 0.02 C ATOM 1130 CD GLN A 236 -18.518 13.210 0.387 0.48 0.02 C ATOM 1131 OE1 GLN A 236 -18.716 13.486 1.571 -0.48 0.02 O ATOM 1132 NE2 GLN A 236 -18.871 14.020 -0.605 -0.52 0.02 N ATOM 0 H GLN A 236 -16.446 10.970 3.235 -0.36 0.02 H new ATOM 0 HA GLN A 236 -17.504 9.642 1.009 1.00 0.02 H new ATOM 0 HB2 GLN A 236 -16.633 12.244 1.719 -0.20 0.02 H new ATOM 0 HB3 GLN A 236 -15.732 11.814 0.279 -0.20 0.02 H new ATOM 0 HG2 GLN A 236 -17.549 11.961 -1.054 -0.20 0.02 H new ATOM 0 HG3 GLN A 236 -18.571 11.095 0.075 -0.20 0.02 H new ATOM 0 HE21 GLN A 236 -18.688 13.752 -1.572 -0.52 0.02 H new ATOM 0 HE22 GLN A 236 -19.325 14.910 -0.400 -0.52 0.02 H new ATOM 1141 N ASP A 237 -14.223 9.613 1.215 -0.36 0.02 N ATOM 1142 CA ASP A 237 -13.051 8.933 0.691 1.00 0.02 C ATOM 1143 C ASP A 237 -13.187 7.449 0.990 0.48 0.02 C ATOM 1144 O ASP A 237 -13.055 7.022 2.135 -0.48 0.02 O ATOM 1145 CB ASP A 237 -11.748 9.482 1.289 -0.45 0.02 C ATOM 1146 CG ASP A 237 -11.888 10.887 1.848 0.49 0.02 C ATOM 1147 OD1 ASP A 237 -12.719 11.083 2.760 -0.62 0.02 O ATOM 1148 OD2 ASP A 237 -11.168 11.790 1.373 -0.62 0.02 O ATOM 0 H ASP A 237 -14.045 10.233 2.005 -0.36 0.02 H new ATOM 0 HA ASP A 237 -12.997 9.104 -0.384 1.00 0.02 H new ATOM 0 HB2 ASP A 237 -11.411 8.815 2.082 -0.45 0.02 H new ATOM 0 HB3 ASP A 237 -10.975 9.480 0.521 -0.45 0.02 H new ATOM 1153 N GLN A 238 -13.478 6.675 -0.044 -0.36 0.02 N ATOM 1154 CA GLN A 238 -13.664 5.230 0.085 1.00 0.02 C ATOM 1155 C GLN A 238 -12.657 4.580 1.041 0.48 0.02 C ATOM 1156 O GLN A 238 -12.947 3.540 1.631 -0.48 0.02 O ATOM 1157 CB GLN A 238 -13.570 4.567 -1.292 -0.20 0.02 C ATOM 1158 CG GLN A 238 -14.876 3.939 -1.754 -0.20 0.02 C ATOM 1159 CD GLN A 238 -15.473 4.648 -2.954 0.48 0.02 C ATOM 1160 OE1 GLN A 238 -16.632 5.062 -2.932 -0.48 0.02 O ATOM 1161 NE2 GLN A 238 -14.681 4.792 -4.011 -0.52 0.02 N ATOM 0 H GLN A 238 -13.593 7.025 -0.995 -0.36 0.02 H new ATOM 0 HA GLN A 238 -14.655 5.076 0.512 1.00 0.02 H new ATOM 0 HB2 GLN A 238 -13.255 5.311 -2.024 -0.20 0.02 H new ATOM 0 HB3 GLN A 238 -12.797 3.799 -1.265 -0.20 0.02 H new ATOM 0 HG2 GLN A 238 -14.703 2.892 -2.004 -0.20 0.02 H new ATOM 0 HG3 GLN A 238 -15.593 3.956 -0.933 -0.20 0.02 H new ATOM 0 HE21 GLN A 238 -13.726 4.433 -3.986 -0.52 0.02 H new ATOM 0 HE22 GLN A 238 -15.027 5.261 -4.848 -0.52 0.02 H new ATOM 1170 N LYS A 239 -11.473 5.174 1.186 -0.36 0.02 N ATOM 1171 CA LYS A 239 -10.442 4.616 2.063 1.00 0.02 C ATOM 1172 C LYS A 239 -10.374 5.347 3.410 0.48 0.02 C ATOM 1173 O LYS A 239 -9.726 4.872 4.343 -0.48 0.02 O ATOM 1174 CB LYS A 239 -9.078 4.694 1.372 -0.20 0.02 C ATOM 1175 CG LYS A 239 -8.813 6.028 0.690 -0.20 0.02 C ATOM 1176 CD LYS A 239 -7.371 6.472 0.871 -0.20 0.02 C ATOM 1177 CE LYS A 239 -7.240 7.984 0.794 0.30 5.02 C ATOM 1178 NZ LYS A 239 -5.944 8.399 0.190 -0.81 0.02 N ATOM 0 H LYS A 239 -11.204 6.036 0.711 -0.36 0.02 H new ATOM 0 HA LYS A 239 -10.706 3.577 2.260 1.00 0.02 H new ATOM 0 HB2 LYS A 239 -8.296 4.511 2.109 -0.20 0.02 H new ATOM 0 HB3 LYS A 239 -9.010 3.897 0.631 -0.20 0.02 H new ATOM 0 HG2 LYS A 239 -9.038 5.945 -0.373 -0.20 0.02 H new ATOM 0 HG3 LYS A 239 -9.482 6.786 1.099 -0.20 0.02 H new ATOM 0 HD2 LYS A 239 -7.000 6.122 1.834 -0.20 0.02 H new ATOM 0 HD3 LYS A 239 -6.749 6.012 0.103 -0.20 0.02 H new ATOM 0 HE2 LYS A 239 -8.062 8.390 0.204 0.30 5.02 H new ATOM 0 HE3 LYS A 239 -7.326 8.407 1.795 0.30 5.02 H new ATOM 0 HZ1 LYS A 239 -5.894 9.437 0.155 -0.81 0.02 H new ATOM 0 HZ2 LYS A 239 -5.159 8.033 0.766 -0.81 0.02 H new ATOM 0 HZ3 LYS A 239 -5.872 8.017 -0.775 -0.81 0.02 H new ATOM 1192 N SER A 240 -11.034 6.501 3.510 -0.36 0.02 N ATOM 1193 CA SER A 240 -11.026 7.278 4.750 1.00 0.02 C ATOM 1194 C SER A 240 -11.963 6.664 5.782 0.48 0.02 C ATOM 1195 O SER A 240 -12.535 5.600 5.549 -0.48 0.02 O ATOM 1196 CB SER A 240 -11.430 8.729 4.484 0.08 0.02 C ATOM 1197 OG SER A 240 -12.710 8.800 3.880 -0.68 0.02 O ATOM 0 H SER A 240 -11.577 6.916 2.753 -0.36 0.02 H new ATOM 0 HA SER A 240 -10.010 7.261 5.145 1.00 0.02 H new ATOM 0 HB2 SER A 240 -11.435 9.286 5.421 0.08 0.02 H new ATOM 0 HB3 SER A 240 -10.692 9.202 3.836 0.08 0.02 H new ATOM 0 HG SER A 240 -12.957 7.918 3.532 -0.68 0.02 H new ATOM 1203 N CYS A 241 -12.123 7.345 6.917 -0.36 0.02 N ATOM 1204 CA CYS A 241 -12.993 6.867 7.987 1.00 0.02 C ATOM 1205 C CYS A 241 -13.392 8.015 8.912 0.48 0.02 C ATOM 1206 O CYS A 241 -12.567 8.529 9.667 -0.48 0.02 O ATOM 1207 CB CYS A 241 -12.286 5.759 8.777 0.20 0.02 C ATOM 1208 SG CYS A 241 -12.175 4.197 7.863 -0.20 0.02 S ATOM 0 H CYS A 241 -11.659 8.231 7.117 -0.36 0.02 H new ATOM 0 HA CYS A 241 -13.902 6.460 7.544 1.00 0.02 H new ATOM 0 HB2 CYS A 241 -11.282 6.092 9.040 0.20 0.02 H new ATOM 0 HB3 CYS A 241 -12.820 5.589 9.712 0.20 0.02 H new ATOM 1213 N GLU A 242 -14.660 8.422 8.840 -0.36 0.02 N ATOM 1214 CA GLU A 242 -15.155 9.519 9.666 1.00 0.02 C ATOM 1215 C GLU A 242 -16.521 9.197 10.270 0.48 0.02 C ATOM 1216 O GLU A 242 -17.209 8.283 9.825 -0.48 0.02 O ATOM 1217 CB GLU A 242 -15.238 10.805 8.840 -0.20 0.02 C ATOM 1218 CG GLU A 242 -14.567 11.998 9.502 -0.45 0.02 C ATOM 1219 CD GLU A 242 -15.563 13.031 9.993 0.49 0.02 C ATOM 1220 OE1 GLU A 242 -16.646 13.149 9.381 -0.62 0.02 O ATOM 1221 OE2 GLU A 242 -15.260 13.722 10.988 -0.62 0.02 O ATOM 0 H GLU A 242 -15.358 8.010 8.221 -0.36 0.02 H new ATOM 0 HA GLU A 242 -14.451 9.660 10.486 1.00 0.02 H new ATOM 0 HB2 GLU A 242 -14.777 10.633 7.868 -0.20 0.02 H new ATOM 0 HB3 GLU A 242 -16.286 11.043 8.658 -0.20 0.02 H new ATOM 0 HG2 GLU A 242 -13.965 11.651 10.342 -0.45 0.02 H new ATOM 0 HG3 GLU A 242 -13.884 12.466 8.793 -0.45 0.02 H new ATOM 1228 N VAL A 243 -16.906 9.960 11.288 -0.36 0.02 N ATOM 1229 CA VAL A 243 -18.189 9.758 11.954 1.00 0.02 C ATOM 1230 C VAL A 243 -19.222 10.779 11.491 0.48 0.02 C ATOM 1231 O VAL A 243 -18.934 11.973 11.395 -0.48 0.02 O ATOM 1232 CB VAL A 243 -18.042 9.840 13.487 -0.10 0.02 C ATOM 1233 CG1 VAL A 243 -17.470 11.189 13.899 -0.30 0.02 C ATOM 1234 CG2 VAL A 243 -19.377 9.579 14.173 -0.30 0.02 C ATOM 0 H VAL A 243 -16.348 10.724 11.670 -0.36 0.02 H new ATOM 0 HA VAL A 243 -18.533 8.760 11.683 1.00 0.02 H new ATOM 0 HB VAL A 243 -17.345 9.066 13.807 -0.10 0.02 H new ATOM 0 HG11 VAL A 243 -17.374 11.227 14.984 -0.30 0.02 H new ATOM 0 HG12 VAL A 243 -16.489 11.323 13.443 -0.30 0.02 H new ATOM 0 HG13 VAL A 243 -18.137 11.984 13.566 -0.30 0.02 H new ATOM 0 HG21 VAL A 243 -19.249 9.642 15.254 -0.30 0.02 H new ATOM 0 HG22 VAL A 243 -20.104 10.324 13.850 -0.30 0.02 H new ATOM 0 HG23 VAL A 243 -19.734 8.584 13.907 -0.30 0.02 H new