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 210 MET CE :methyl -166:sc= -0.41 (180deg=-1.1) USER MOD Set 1.2: A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 165 SER OG : rot -34:sc= 0.578 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 SER OG : rot 58:sc= 0.551 USER MOD Single : A 173 THR OG1 : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 ASN : amide:sc= -9.09! C(o=-9.1!,f=-7!) USER MOD Single : A 191 TYR OH : rot -167:sc= -1.33 USER MOD Single : A 193 TYR OH : rot 165:sc= -1.84! USER MOD Single : A 194 ASN : amide:sc= -0.55 X(o=-0.55,f=-0.074) USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 SER OG : rot -38:sc= 0.346 USER MOD Single : A 198 LYS NZ :NH3+ -148:sc= -0.924 (180deg=-2.27!) USER MOD Single : A 199 SER OG : rot 33:sc= 0.0776 USER MOD Single : A 207 SER OG : rot 166:sc= 0.46 USER MOD Single : A 209 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 213 GLN : amide:sc= -5.57 K(o=-5.6,f=-7.8!) USER MOD Single : A 217 ASN : amide:sc= -8.5! C(o=-8.5!,f=-12!) USER MOD Single : A 218 TYR OH : rot 180:sc= 0 USER MOD Single : A 223 THR OG1 : rot 14:sc= 0.625 USER MOD Single : A 225 TYR OH : rot 180:sc= -0.26 USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 230 LYS NZ :NH3+ -164:sc= -0.0349 (180deg=-0.24) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 GLN : amide:sc= -0.039 X(o=-0.039,f=0) USER MOD Single : A 238 GLN : amide:sc=-0.000391 X(o=-0.00039,f=-0.036) USER MOD Single : A 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 SER OG : rot 180:sc= -0.907 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 160 16.729 8.325 -11.379 -0.36 0.02 N ATOM 26 CA ASP A 160 17.536 9.168 -10.502 1.00 0.01 C ATOM 27 C ASP A 160 18.456 8.321 -9.626 0.48 0.02 C ATOM 28 O ASP A 160 19.639 8.161 -9.926 -0.48 0.02 O ATOM 29 CB ASP A 160 16.638 10.052 -9.625 -0.45 0.01 C ATOM 30 CG ASP A 160 15.288 9.421 -9.335 0.49 0.01 C ATOM 31 OD1 ASP A 160 15.248 8.413 -8.598 -0.62 0.01 O ATOM 32 OD2 ASP A 160 14.270 9.937 -9.844 -0.62 0.01 O ATOM 0 HA ASP A 160 18.154 9.810 -11.130 1.00 0.01 H new ATOM 0 HB2 ASP A 160 17.147 10.257 -8.683 -0.45 0.01 H new ATOM 0 HB3 ASP A 160 16.486 11.011 -10.120 -0.45 0.01 H new ATOM 37 N VAL A 161 17.907 7.778 -8.544 -0.36 0.01 N ATOM 38 CA VAL A 161 18.676 6.946 -7.628 1.00 0.01 C ATOM 39 C VAL A 161 17.768 5.964 -6.898 0.48 0.01 C ATOM 40 O VAL A 161 16.584 6.243 -6.689 -0.48 0.01 O ATOM 41 CB VAL A 161 19.433 7.797 -6.591 -0.10 0.01 C ATOM 42 CG1 VAL A 161 20.364 6.926 -5.761 -0.30 0.02 C ATOM 43 CG2 VAL A 161 20.207 8.913 -7.277 -0.30 0.02 C ATOM 0 H VAL A 161 16.929 7.900 -8.280 -0.36 0.01 H new ATOM 0 HA VAL A 161 19.401 6.397 -8.228 1.00 0.01 H new ATOM 0 HB VAL A 161 18.703 8.251 -5.920 -0.10 0.01 H new ATOM 0 HG11 VAL A 161 20.890 7.545 -5.034 -0.30 0.02 H new ATOM 0 HG12 VAL A 161 19.782 6.167 -5.238 -0.30 0.02 H new ATOM 0 HG13 VAL A 161 21.088 6.441 -6.416 -0.30 0.02 H new ATOM 0 HG21 VAL A 161 20.735 9.503 -6.528 -0.30 0.02 H new ATOM 0 HG22 VAL A 161 20.927 8.482 -7.973 -0.30 0.02 H new ATOM 0 HG23 VAL A 161 19.514 9.554 -7.822 -0.30 0.02 H new ATOM 53 N ASP A 162 18.328 4.812 -6.519 -0.36 0.01 N ATOM 54 CA ASP A 162 17.573 3.775 -5.815 1.00 0.01 C ATOM 55 C ASP A 162 16.214 3.558 -6.473 0.48 0.01 C ATOM 56 O ASP A 162 15.300 4.365 -6.311 -0.48 0.02 O ATOM 57 CB ASP A 162 17.391 4.155 -4.346 -0.45 0.01 C ATOM 58 CG ASP A 162 18.597 3.793 -3.501 0.49 0.02 C ATOM 59 OD1 ASP A 162 18.949 2.596 -3.451 -0.62 0.02 O ATOM 60 OD2 ASP A 162 19.190 4.708 -2.891 -0.62 0.02 O ATOM 0 H ASP A 162 19.305 4.575 -6.689 -0.36 0.01 H new ATOM 0 HA ASP A 162 18.137 2.844 -5.871 1.00 0.01 H new ATOM 0 HB2 ASP A 162 17.207 5.227 -4.271 -0.45 0.01 H new ATOM 0 HB3 ASP A 162 16.509 3.652 -3.950 -0.45 0.01 H new ATOM 65 N GLU A 163 16.084 2.472 -7.225 -0.36 0.02 N ATOM 66 CA GLU A 163 14.834 2.186 -7.907 1.00 0.02 C ATOM 67 C GLU A 163 14.048 1.101 -7.188 0.48 0.02 C ATOM 68 O GLU A 163 12.831 1.189 -7.048 -0.48 0.02 O ATOM 69 CB GLU A 163 15.103 1.780 -9.358 -0.20 0.01 C ATOM 70 CG GLU A 163 15.061 2.944 -10.342 -0.45 0.01 C ATOM 71 CD GLU A 163 15.611 4.237 -9.761 0.49 0.01 C ATOM 72 OE1 GLU A 163 14.869 4.923 -9.024 -0.62 0.01 O ATOM 73 OE2 GLU A 163 16.784 4.561 -10.043 -0.62 0.01 O ATOM 0 H GLU A 163 16.821 1.783 -7.375 -0.36 0.02 H new ATOM 0 HA GLU A 163 14.231 3.094 -7.901 1.00 0.02 H new ATOM 0 HB2 GLU A 163 16.081 1.303 -9.416 -0.20 0.01 H new ATOM 0 HB3 GLU A 163 14.366 1.035 -9.659 -0.20 0.01 H new ATOM 0 HG2 GLU A 163 15.633 2.680 -11.232 -0.45 0.01 H new ATOM 0 HG3 GLU A 163 14.031 3.105 -10.661 -0.45 0.01 H new ATOM 80 N CYS A 164 14.743 0.074 -6.735 -0.36 0.02 N ATOM 81 CA CYS A 164 14.087 -1.019 -6.037 1.00 0.02 C ATOM 82 C CYS A 164 14.819 -1.380 -4.746 0.48 0.02 C ATOM 83 O CYS A 164 14.225 -1.945 -3.827 -0.48 0.02 O ATOM 84 CB CYS A 164 13.963 -2.221 -6.967 0.20 0.02 C ATOM 85 SG CYS A 164 13.329 -1.786 -8.624 -0.20 0.02 S ATOM 0 H CYS A 164 15.753 -0.027 -6.836 -0.36 0.02 H new ATOM 0 HA CYS A 164 13.086 -0.698 -5.748 1.00 0.02 H new ATOM 0 HB2 CYS A 164 14.940 -2.694 -7.071 0.20 0.02 H new ATOM 0 HB3 CYS A 164 13.299 -2.957 -6.513 0.20 0.02 H new ATOM 90 N SER A 165 16.098 -1.023 -4.662 -0.36 0.02 N ATOM 91 CA SER A 165 16.882 -1.284 -3.463 1.00 0.02 C ATOM 92 C SER A 165 16.703 -0.142 -2.460 0.48 0.02 C ATOM 93 O SER A 165 17.267 -0.165 -1.367 -0.48 0.02 O ATOM 94 CB SER A 165 18.362 -1.445 -3.815 0.08 0.02 C ATOM 95 OG SER A 165 19.130 -1.750 -2.664 -0.68 0.02 O ATOM 0 H SER A 165 16.610 -0.554 -5.409 -0.36 0.02 H new ATOM 0 HA SER A 165 16.529 -2.212 -3.013 1.00 0.02 H new ATOM 0 HB2 SER A 165 18.479 -2.237 -4.554 0.08 0.02 H new ATOM 0 HB3 SER A 165 18.733 -0.527 -4.270 0.08 0.02 H new ATOM 0 HG SER A 165 18.746 -1.296 -1.885 -0.68 0.02 H new ATOM 101 N LEU A 166 15.906 0.857 -2.849 -0.36 0.02 N ATOM 102 CA LEU A 166 15.633 2.015 -2.004 1.00 0.02 C ATOM 103 C LEU A 166 15.194 1.585 -0.607 0.48 0.02 C ATOM 104 O LEU A 166 15.628 2.154 0.395 -0.48 0.02 O ATOM 105 CB LEU A 166 14.547 2.878 -2.652 -0.20 0.02 C ATOM 106 CG LEU A 166 14.717 4.390 -2.479 -0.10 0.02 C ATOM 107 CD1 LEU A 166 14.399 5.116 -3.780 -0.30 0.02 C ATOM 108 CD2 LEU A 166 13.834 4.901 -1.349 -0.30 0.02 C ATOM 0 H LEU A 166 15.436 0.883 -3.754 -0.36 0.02 H new ATOM 0 HA LEU A 166 16.551 2.595 -1.905 1.00 0.02 H new ATOM 0 HB2 LEU A 166 14.516 2.653 -3.718 -0.20 0.02 H new ATOM 0 HB3 LEU A 166 13.581 2.589 -2.237 -0.20 0.02 H new ATOM 0 HG LEU A 166 15.756 4.592 -2.219 -0.10 0.02 H new ATOM 0 HD11 LEU A 166 14.525 6.189 -3.638 -0.30 0.02 H new ATOM 0 HD12 LEU A 166 15.074 4.772 -4.563 -0.30 0.02 H new ATOM 0 HD13 LEU A 166 13.370 4.907 -4.071 -0.30 0.02 H new ATOM 0 HD21 LEU A 166 13.968 5.977 -1.241 -0.30 0.02 H new ATOM 0 HD22 LEU A 166 12.790 4.687 -1.578 -0.30 0.02 H new ATOM 0 HD23 LEU A 166 14.111 4.405 -0.418 -0.30 0.02 H new ATOM 120 N LYS A 167 14.334 0.574 -0.551 -0.36 0.02 N ATOM 121 CA LYS A 167 13.836 0.061 0.720 1.00 0.02 C ATOM 122 C LYS A 167 13.777 -1.464 0.701 0.48 0.02 C ATOM 123 O LYS A 167 13.756 -2.079 -0.365 -0.48 0.02 O ATOM 124 CB LYS A 167 12.451 0.636 1.021 -0.20 0.02 C ATOM 125 CG LYS A 167 12.367 2.144 0.846 -0.20 0.02 C ATOM 126 CD LYS A 167 11.012 2.684 1.279 -0.20 0.02 C ATOM 127 CE LYS A 167 10.202 3.180 0.091 0.30 5.02 C ATOM 128 NZ LYS A 167 9.412 4.397 0.427 -0.81 0.02 N ATOM 0 H LYS A 167 13.967 0.093 -1.372 -0.36 0.02 H new ATOM 0 HA LYS A 167 14.525 0.371 1.506 1.00 0.02 H new ATOM 0 HB2 LYS A 167 11.720 0.161 0.367 -0.20 0.02 H new ATOM 0 HB3 LYS A 167 12.176 0.381 2.044 -0.20 0.02 H new ATOM 0 HG2 LYS A 167 13.153 2.623 1.429 -0.20 0.02 H new ATOM 0 HG3 LYS A 167 12.544 2.400 -0.199 -0.20 0.02 H new ATOM 0 HD2 LYS A 167 10.457 1.902 1.798 -0.20 0.02 H new ATOM 0 HD3 LYS A 167 11.154 3.499 1.989 -0.20 0.02 H new ATOM 0 HE2 LYS A 167 10.873 3.400 -0.739 0.30 5.02 H new ATOM 0 HE3 LYS A 167 9.529 2.391 -0.244 0.30 5.02 H new ATOM 0 HZ1 LYS A 167 8.874 4.703 -0.409 -0.81 0.02 H new ATOM 0 HZ2 LYS A 167 8.754 4.180 1.202 -0.81 0.02 H new ATOM 0 HZ3 LYS A 167 10.056 5.158 0.722 -0.81 0.02 H new ATOM 142 N PRO A 168 13.758 -2.099 1.886 -0.36 0.02 N ATOM 143 CA PRO A 168 13.710 -3.559 2.004 1.00 0.02 C ATOM 144 C PRO A 168 12.360 -4.146 1.592 0.48 0.02 C ATOM 145 O PRO A 168 12.203 -5.365 1.532 -0.48 0.02 O ATOM 146 CB PRO A 168 13.964 -3.819 3.499 -0.20 0.02 C ATOM 147 CG PRO A 168 14.404 -2.511 4.070 -0.20 0.02 C ATOM 148 CD PRO A 168 13.791 -1.451 3.204 0.06 0.02 C ATOM 0 HA PRO A 168 14.438 -4.030 1.344 1.00 0.02 H new ATOM 0 HB2 PRO A 168 13.061 -4.177 3.993 -0.20 0.02 H new ATOM 0 HB3 PRO A 168 14.728 -4.584 3.639 -0.20 0.02 H new ATOM 0 HG2 PRO A 168 14.076 -2.407 5.104 -0.20 0.02 H new ATOM 0 HG3 PRO A 168 15.491 -2.432 4.071 -0.20 0.02 H new ATOM 0 HD2 PRO A 168 12.794 -1.174 3.546 0.06 0.02 H new ATOM 0 HD3 PRO A 168 14.389 -0.539 3.193 0.06 0.02 H new ATOM 156 N SER A 169 11.385 -3.282 1.316 -0.36 0.02 N ATOM 157 CA SER A 169 10.058 -3.743 0.921 1.00 0.02 C ATOM 158 C SER A 169 9.521 -2.958 -0.274 0.48 0.02 C ATOM 159 O SER A 169 8.427 -2.395 -0.218 -0.48 0.02 O ATOM 160 CB SER A 169 9.089 -3.628 2.100 0.08 0.02 C ATOM 161 OG SER A 169 8.828 -2.272 2.415 -0.68 0.02 O ATOM 0 H SER A 169 11.488 -2.268 1.358 -0.36 0.02 H new ATOM 0 HA SER A 169 10.145 -4.788 0.622 1.00 0.02 H new ATOM 0 HB2 SER A 169 8.155 -4.135 1.858 0.08 0.02 H new ATOM 0 HB3 SER A 169 9.509 -4.132 2.970 0.08 0.02 H new ATOM 0 HG SER A 169 8.463 -1.818 1.627 -0.68 0.02 H new ATOM 167 N ILE A 170 10.287 -2.933 -1.360 -0.36 0.02 N ATOM 168 CA ILE A 170 9.872 -2.227 -2.568 1.00 0.02 C ATOM 169 C ILE A 170 9.310 -3.192 -3.594 0.48 0.02 C ATOM 170 O ILE A 170 8.095 -3.326 -3.743 -0.48 0.02 O ATOM 171 CB ILE A 170 11.041 -1.476 -3.232 -0.10 0.02 C ATOM 172 CG1 ILE A 170 11.658 -0.472 -2.264 -0.20 0.02 C ATOM 173 CG2 ILE A 170 10.598 -0.790 -4.522 -0.30 0.02 C ATOM 174 CD1 ILE A 170 10.767 0.716 -2.003 -0.30 0.02 C ATOM 0 H ILE A 170 11.195 -3.392 -1.429 -0.36 0.02 H new ATOM 0 HA ILE A 170 9.112 -1.513 -2.252 1.00 0.02 H new ATOM 0 HB ILE A 170 11.804 -2.209 -3.493 -0.10 0.02 H new ATOM 0 HG12 ILE A 170 11.875 -0.972 -1.320 -0.20 0.02 H new ATOM 0 HG13 ILE A 170 12.610 -0.125 -2.667 -0.20 0.02 H new ATOM 0 HG21 ILE A 170 11.446 -0.269 -4.967 -0.30 0.02 H new ATOM 0 HG22 ILE A 170 10.224 -1.537 -5.222 -0.30 0.02 H new ATOM 0 HG23 ILE A 170 9.807 -0.073 -4.300 -0.30 0.02 H new ATOM 0 HD11 ILE A 170 11.260 1.395 -1.307 -0.30 0.02 H new ATOM 0 HD12 ILE A 170 10.571 1.237 -2.940 -0.30 0.02 H new ATOM 0 HD13 ILE A 170 9.825 0.377 -1.573 -0.30 0.02 H new ATOM 186 N CYS A 171 10.212 -3.837 -4.328 -0.36 0.02 N ATOM 187 CA CYS A 171 9.814 -4.754 -5.365 1.00 0.02 C ATOM 188 C CYS A 171 10.945 -5.711 -5.733 0.48 0.02 C ATOM 189 O CYS A 171 11.047 -6.149 -6.878 -0.48 0.02 O ATOM 190 CB CYS A 171 9.367 -3.948 -6.579 0.20 0.02 C ATOM 191 SG CYS A 171 7.990 -4.688 -7.514 -0.20 0.02 S ATOM 0 H CYS A 171 11.221 -3.735 -4.216 -0.36 0.02 H new ATOM 0 HA CYS A 171 8.989 -5.368 -5.003 1.00 0.02 H new ATOM 0 HB2 CYS A 171 9.071 -2.952 -6.249 0.20 0.02 H new ATOM 0 HB3 CYS A 171 10.218 -3.822 -7.249 0.20 0.02 H new ATOM 196 N GLY A 172 11.789 -6.033 -4.750 -0.36 0.02 N ATOM 197 CA GLY A 172 12.906 -6.944 -4.977 -0.10 0.02 C ATOM 198 C GLY A 172 13.540 -6.780 -6.346 0.48 0.02 C ATOM 199 O GLY A 172 13.755 -7.763 -7.056 -0.48 0.02 O ATOM 0 H GLY A 172 11.719 -5.678 -3.796 -0.36 0.02 H new ATOM 0 HA2 GLY A 172 13.663 -6.779 -4.211 -0.10 0.02 H new ATOM 0 HA3 GLY A 172 12.558 -7.971 -4.865 -0.10 0.02 H new ATOM 203 N THR A 173 13.836 -5.532 -6.707 -0.36 0.02 N ATOM 204 CA THR A 173 14.446 -5.198 -7.990 1.00 0.02 C ATOM 205 C THR A 173 14.086 -6.212 -9.079 0.48 0.02 C ATOM 206 O THR A 173 14.944 -6.658 -9.841 -0.48 0.02 O ATOM 207 CB THR A 173 15.958 -5.078 -7.826 0.18 0.02 C ATOM 208 OG1 THR A 173 16.300 -4.883 -6.465 -0.68 0.02 O ATOM 209 CG2 THR A 173 16.561 -3.933 -8.619 -0.30 0.02 C ATOM 0 H THR A 173 13.658 -4.722 -6.114 -0.36 0.02 H new ATOM 0 HA THR A 173 14.047 -4.237 -8.315 1.00 0.02 H new ATOM 0 HB THR A 173 16.364 -6.015 -8.207 0.18 0.02 H new ATOM 0 HG1 THR A 173 17.274 -4.810 -6.380 -0.68 0.02 H new ATOM 0 HG21 THR A 173 17.638 -3.906 -8.457 -0.30 0.02 H new ATOM 0 HG22 THR A 173 16.358 -4.078 -9.680 -0.30 0.02 H new ATOM 0 HG23 THR A 173 16.121 -2.991 -8.291 -0.30 0.02 H new ATOM 217 N ALA A 174 12.801 -6.555 -9.143 -0.36 0.02 N ATOM 218 CA ALA A 174 12.293 -7.500 -10.133 1.00 0.02 C ATOM 219 C ALA A 174 12.109 -6.802 -11.478 0.48 0.02 C ATOM 220 O ALA A 174 12.935 -6.925 -12.383 -0.48 0.02 O ATOM 221 CB ALA A 174 10.966 -8.085 -9.647 -0.30 0.02 C ATOM 0 H ALA A 174 12.087 -6.188 -8.514 -0.36 0.02 H new ATOM 0 HA ALA A 174 13.011 -8.310 -10.262 1.00 0.02 H new ATOM 0 HB1 ALA A 174 10.587 -8.791 -10.386 -0.30 0.02 H new ATOM 0 HB2 ALA A 174 11.121 -8.601 -8.699 -0.30 0.02 H new ATOM 0 HB3 ALA A 174 10.243 -7.281 -9.508 -0.30 0.02 H new ATOM 227 N VAL A 175 11.028 -6.048 -11.572 -0.36 0.02 N ATOM 228 CA VAL A 175 10.691 -5.277 -12.758 1.00 0.02 C ATOM 229 C VAL A 175 9.916 -4.057 -12.297 0.48 0.02 C ATOM 230 O VAL A 175 8.738 -3.883 -12.609 -0.48 0.02 O ATOM 231 CB VAL A 175 9.848 -6.094 -13.758 -0.10 0.02 C ATOM 232 CG1 VAL A 175 9.463 -5.243 -14.959 -0.30 0.02 C ATOM 233 CG2 VAL A 175 10.605 -7.338 -14.199 -0.30 0.02 C ATOM 0 H VAL A 175 10.349 -5.952 -10.817 -0.36 0.02 H new ATOM 0 HA VAL A 175 11.605 -4.994 -13.279 1.00 0.02 H new ATOM 0 HB VAL A 175 8.931 -6.409 -13.259 -0.10 0.02 H new ATOM 0 HG11 VAL A 175 8.869 -5.839 -15.652 -0.30 0.02 H new ATOM 0 HG12 VAL A 175 8.879 -4.385 -14.625 -0.30 0.02 H new ATOM 0 HG13 VAL A 175 10.365 -4.894 -15.462 -0.30 0.02 H new ATOM 0 HG21 VAL A 175 9.996 -7.903 -14.905 -0.30 0.02 H new ATOM 0 HG22 VAL A 175 11.539 -7.045 -14.679 -0.30 0.02 H new ATOM 0 HG23 VAL A 175 10.823 -7.958 -13.330 -0.30 0.02 H new ATOM 243 N CYS A 176 10.590 -3.252 -11.489 -0.36 0.02 N ATOM 244 CA CYS A 176 9.988 -2.071 -10.892 1.00 0.02 C ATOM 245 C CYS A 176 10.376 -0.780 -11.599 0.48 0.02 C ATOM 246 O CYS A 176 11.538 -0.560 -11.940 -0.48 0.02 O ATOM 247 CB CYS A 176 10.378 -1.972 -9.405 0.20 0.02 C ATOM 248 SG CYS A 176 11.767 -3.051 -8.896 -0.20 0.02 S ATOM 0 H CYS A 176 11.566 -3.399 -11.230 -0.36 0.02 H new ATOM 0 HA CYS A 176 8.909 -2.188 -10.997 1.00 0.02 H new ATOM 0 HB2 CYS A 176 10.640 -0.938 -9.182 0.20 0.02 H new ATOM 0 HB3 CYS A 176 9.506 -2.218 -8.799 0.20 0.02 H new ATOM 253 N LYS A 177 9.386 0.088 -11.762 -0.36 0.02 N ATOM 254 CA LYS A 177 9.589 1.393 -12.367 1.00 0.02 C ATOM 255 C LYS A 177 9.563 2.434 -11.257 0.48 0.02 C ATOM 256 O LYS A 177 8.511 2.977 -10.920 -0.48 0.02 O ATOM 257 CB LYS A 177 8.503 1.684 -13.407 -0.20 0.02 C ATOM 258 CG LYS A 177 8.965 1.487 -14.841 -0.20 0.02 C ATOM 259 CD LYS A 177 7.786 1.325 -15.788 -0.20 0.02 C ATOM 260 CE LYS A 177 8.113 0.379 -16.933 0.30 5.02 C ATOM 261 NZ LYS A 177 7.260 -0.842 -16.905 -0.81 0.02 N ATOM 0 H LYS A 177 8.423 -0.094 -11.479 -0.36 0.02 H new ATOM 0 HA LYS A 177 10.548 1.420 -12.884 1.00 0.02 H new ATOM 0 HB2 LYS A 177 7.647 1.036 -13.218 -0.20 0.02 H new ATOM 0 HB3 LYS A 177 8.159 2.711 -13.283 -0.20 0.02 H new ATOM 0 HG2 LYS A 177 9.568 2.341 -15.151 -0.20 0.02 H new ATOM 0 HG3 LYS A 177 9.605 0.607 -14.901 -0.20 0.02 H new ATOM 0 HD2 LYS A 177 6.925 0.946 -15.237 -0.20 0.02 H new ATOM 0 HD3 LYS A 177 7.504 2.299 -16.189 -0.20 0.02 H new ATOM 0 HE2 LYS A 177 7.975 0.897 -17.882 0.30 5.02 H new ATOM 0 HE3 LYS A 177 9.163 0.090 -16.877 0.30 5.02 H new ATOM 0 HZ1 LYS A 177 7.514 -1.461 -17.701 -0.81 0.02 H new ATOM 0 HZ2 LYS A 177 7.410 -1.350 -16.010 -0.81 0.02 H new ATOM 0 HZ3 LYS A 177 6.260 -0.569 -16.984 -0.81 0.02 H new ATOM 275 N ASN A 178 10.721 2.662 -10.652 -0.36 0.02 N ATOM 276 CA ASN A 178 10.829 3.590 -9.537 1.00 0.01 C ATOM 277 C ASN A 178 10.800 5.044 -9.971 0.48 0.02 C ATOM 278 O ASN A 178 10.967 5.370 -11.146 -0.48 0.02 O ATOM 279 CB ASN A 178 12.107 3.324 -8.752 -0.20 0.01 C ATOM 280 CG ASN A 178 12.024 3.829 -7.324 0.48 0.01 C ATOM 281 OD1 ASN A 178 12.542 4.898 -7.000 -0.48 0.01 O ATOM 282 ND2 ASN A 178 11.371 3.062 -6.461 -0.52 0.01 N ATOM 0 H ASN A 178 11.599 2.216 -10.916 -0.36 0.02 H new ATOM 0 HA ASN A 178 9.955 3.420 -8.908 1.00 0.01 H new ATOM 0 HB2 ASN A 178 12.309 2.253 -8.745 -0.20 0.01 H new ATOM 0 HB3 ASN A 178 12.946 3.803 -9.256 -0.20 0.01 H new ATOM 0 HD21 ASN A 178 11.283 3.351 -5.487 -0.52 0.01 H new ATOM 0 HD22 ASN A 178 10.957 2.183 -6.772 -0.52 0.01 H new ATOM 289 N ILE A 179 10.591 5.909 -8.987 -0.36 0.01 N ATOM 290 CA ILE A 179 10.540 7.342 -9.207 1.00 0.01 C ATOM 291 C ILE A 179 11.266 8.067 -8.071 0.48 0.01 C ATOM 292 O ILE A 179 11.661 7.437 -7.084 -0.48 0.01 O ATOM 293 CB ILE A 179 9.079 7.824 -9.314 -0.10 0.01 C ATOM 294 CG1 ILE A 179 8.307 7.485 -8.035 -0.20 0.02 C ATOM 295 CG2 ILE A 179 8.416 7.189 -10.529 -0.30 0.02 C ATOM 296 CD1 ILE A 179 6.801 7.534 -8.196 -0.30 5.62 C ATOM 0 H ILE A 179 10.452 5.633 -8.015 -0.36 0.01 H new ATOM 0 HA ILE A 179 11.040 7.572 -10.148 1.00 0.01 H new ATOM 0 HB ILE A 179 9.070 8.907 -9.435 -0.10 0.01 H new ATOM 0 HG12 ILE A 179 8.595 6.488 -7.702 -0.20 0.02 H new ATOM 0 HG13 ILE A 179 8.601 8.181 -7.249 -0.20 0.02 H new ATOM 0 HG21 ILE A 179 7.384 7.532 -10.601 -0.30 0.02 H new ATOM 0 HG22 ILE A 179 8.958 7.476 -11.430 -0.30 0.02 H new ATOM 0 HG23 ILE A 179 8.431 6.104 -10.426 -0.30 0.02 H new ATOM 0 HD11 ILE A 179 6.325 7.282 -7.248 -0.30 5.62 H new ATOM 0 HD12 ILE A 179 6.500 8.537 -8.498 -0.30 5.62 H new ATOM 0 HD13 ILE A 179 6.493 6.818 -8.958 -0.30 5.62 H new ATOM 308 N PRO A 180 11.480 9.393 -8.193 -0.36 0.01 N ATOM 309 CA PRO A 180 12.183 10.180 -7.175 1.00 0.01 C ATOM 310 C PRO A 180 11.829 9.790 -5.742 0.48 0.01 C ATOM 311 O PRO A 180 12.642 9.953 -4.831 -0.48 0.02 O ATOM 312 CB PRO A 180 11.726 11.601 -7.482 -0.20 0.01 C ATOM 313 CG PRO A 180 11.554 11.614 -8.961 -0.20 0.02 C ATOM 314 CD PRO A 180 11.077 10.234 -9.342 0.06 0.01 C ATOM 0 HA PRO A 180 13.262 10.030 -7.221 1.00 0.01 H new ATOM 0 HB2 PRO A 180 10.794 11.840 -6.970 -0.20 0.01 H new ATOM 0 HB3 PRO A 180 12.464 12.336 -7.160 -0.20 0.01 H new ATOM 0 HG2 PRO A 180 10.831 12.372 -9.262 -0.20 0.02 H new ATOM 0 HG3 PRO A 180 12.493 11.853 -9.460 -0.20 0.02 H new ATOM 0 HD2 PRO A 180 9.998 10.212 -9.495 0.06 0.01 H new ATOM 0 HD3 PRO A 180 11.538 9.893 -10.269 0.06 0.01 H new ATOM 322 N GLY A 181 10.622 9.278 -5.543 -0.36 0.02 N ATOM 323 CA GLY A 181 10.206 8.881 -4.208 -0.10 0.02 C ATOM 324 C GLY A 181 9.044 7.905 -4.204 0.48 0.02 C ATOM 325 O GLY A 181 8.044 8.127 -3.521 -0.48 0.02 O ATOM 0 H GLY A 181 9.927 9.130 -6.274 -0.36 0.02 H new ATOM 0 HA2 GLY A 181 11.052 8.429 -3.691 -0.10 0.02 H new ATOM 0 HA3 GLY A 181 9.926 9.770 -3.643 -0.10 0.02 H new ATOM 329 N ASP A 182 9.176 6.816 -4.956 -0.36 0.02 N ATOM 330 CA ASP A 182 8.133 5.799 -5.024 1.00 0.02 C ATOM 331 C ASP A 182 8.537 4.705 -6.001 0.48 0.02 C ATOM 332 O ASP A 182 9.557 4.819 -6.678 -0.48 0.02 O ATOM 333 CB ASP A 182 6.797 6.420 -5.438 -0.45 0.02 C ATOM 334 CG ASP A 182 5.741 6.287 -4.358 0.49 0.02 C ATOM 335 OD1 ASP A 182 5.818 5.322 -3.568 -0.62 0.02 O ATOM 336 OD2 ASP A 182 4.837 7.147 -4.301 -0.62 0.02 O ATOM 0 H ASP A 182 9.997 6.616 -5.528 -0.36 0.02 H new ATOM 0 HA ASP A 182 8.010 5.360 -4.034 1.00 0.02 H new ATOM 0 HB2 ASP A 182 6.946 7.475 -5.670 -0.45 0.02 H new ATOM 0 HB3 ASP A 182 6.443 5.940 -6.350 -0.45 0.02 H new ATOM 341 N PHE A 183 7.747 3.642 -6.068 -0.36 0.02 N ATOM 342 CA PHE A 183 8.063 2.536 -6.966 1.00 0.02 C ATOM 343 C PHE A 183 6.845 1.982 -7.688 0.48 0.02 C ATOM 344 O PHE A 183 5.721 2.030 -7.188 -0.48 0.02 O ATOM 345 CB PHE A 183 8.757 1.392 -6.200 -0.16 0.02 C ATOM 346 CG PHE A 183 7.839 0.549 -5.329 0.03 0.02 C ATOM 347 CD1 PHE A 183 6.749 -0.138 -5.867 -0.16 0.02 C ATOM 348 CD2 PHE A 183 8.064 0.457 -3.964 -0.16 0.02 C ATOM 349 CE1 PHE A 183 5.916 -0.894 -5.056 -0.15 0.02 C ATOM 350 CE2 PHE A 183 7.231 -0.291 -3.155 -0.15 0.02 C ATOM 351 CZ PHE A 183 6.158 -0.966 -3.700 -0.15 0.02 C ATOM 0 H PHE A 183 6.895 3.521 -5.521 -0.36 0.02 H new ATOM 0 HA PHE A 183 8.734 2.948 -7.720 1.00 0.02 H new ATOM 0 HB2 PHE A 183 9.249 0.739 -6.921 -0.16 0.02 H new ATOM 0 HB3 PHE A 183 9.538 1.818 -5.571 -0.16 0.02 H new ATOM 0 HD1 PHE A 183 6.552 -0.080 -6.927 -0.16 0.02 H new ATOM 0 HD2 PHE A 183 8.903 0.978 -3.527 -0.16 0.02 H new ATOM 0 HE1 PHE A 183 5.079 -1.425 -5.485 -0.15 0.02 H new ATOM 0 HE2 PHE A 183 7.420 -0.348 -2.093 -0.15 0.02 H new ATOM 0 HZ PHE A 183 5.508 -1.550 -3.065 -0.15 0.02 H new ATOM 361 N GLU A 184 7.114 1.387 -8.844 -0.36 0.02 N ATOM 362 CA GLU A 184 6.096 0.728 -9.641 1.00 0.02 C ATOM 363 C GLU A 184 6.465 -0.747 -9.719 0.48 0.02 C ATOM 364 O GLU A 184 7.647 -1.085 -9.676 -0.48 0.02 O ATOM 365 CB GLU A 184 6.009 1.341 -11.038 -0.20 0.02 C ATOM 366 CG GLU A 184 5.330 2.699 -11.055 -0.45 0.02 C ATOM 367 CD GLU A 184 4.317 2.832 -12.176 0.49 0.02 C ATOM 368 OE1 GLU A 184 4.423 2.075 -13.164 -0.62 0.02 O ATOM 369 OE2 GLU A 184 3.419 3.692 -12.066 -0.62 0.02 O ATOM 0 H GLU A 184 8.048 1.350 -9.253 -0.36 0.02 H new ATOM 0 HA GLU A 184 5.116 0.853 -9.181 1.00 0.02 H new ATOM 0 HB2 GLU A 184 7.014 1.440 -11.447 -0.20 0.02 H new ATOM 0 HB3 GLU A 184 5.464 0.661 -11.693 -0.20 0.02 H new ATOM 0 HG2 GLU A 184 4.832 2.864 -10.099 -0.45 0.02 H new ATOM 0 HG3 GLU A 184 6.086 3.477 -11.159 -0.45 0.02 H new ATOM 376 N CYS A 185 5.481 -1.630 -9.792 -0.36 0.02 N ATOM 377 CA CYS A 185 5.774 -3.057 -9.827 1.00 0.02 C ATOM 378 C CYS A 185 5.133 -3.756 -11.014 0.48 0.02 C ATOM 379 O CYS A 185 4.030 -3.413 -11.440 -0.48 0.02 O ATOM 380 CB CYS A 185 5.304 -3.717 -8.530 0.20 0.02 C ATOM 381 SG CYS A 185 6.423 -3.460 -7.117 -0.20 0.02 S ATOM 0 H CYS A 185 4.490 -1.392 -9.828 -0.36 0.02 H new ATOM 0 HA CYS A 185 6.854 -3.159 -9.933 1.00 0.02 H new ATOM 0 HB2 CYS A 185 4.318 -3.329 -8.274 0.20 0.02 H new ATOM 0 HB3 CYS A 185 5.191 -4.788 -8.700 0.20 0.02 H new ATOM 386 N GLU A 186 5.832 -4.766 -11.520 -0.36 0.02 N ATOM 387 CA GLU A 186 5.341 -5.561 -12.637 1.00 0.02 C ATOM 388 C GLU A 186 4.420 -6.664 -12.126 0.48 0.02 C ATOM 389 O GLU A 186 3.881 -7.452 -12.902 -0.48 0.02 O ATOM 390 CB GLU A 186 6.508 -6.180 -13.394 -0.20 0.02 C ATOM 391 CG GLU A 186 6.122 -6.752 -14.749 -0.45 0.02 C ATOM 392 CD GLU A 186 6.356 -8.248 -14.840 0.49 0.02 C ATOM 393 OE1 GLU A 186 7.463 -8.699 -14.478 -0.62 0.02 O ATOM 394 OE2 GLU A 186 5.431 -8.968 -15.272 -0.62 0.02 O ATOM 0 H GLU A 186 6.746 -5.054 -11.171 -0.36 0.02 H new ATOM 0 HA GLU A 186 4.784 -4.910 -13.311 1.00 0.02 H new ATOM 0 HB2 GLU A 186 7.280 -5.424 -13.535 -0.20 0.02 H new ATOM 0 HB3 GLU A 186 6.945 -6.972 -12.786 -0.20 0.02 H new ATOM 0 HG2 GLU A 186 5.070 -6.540 -14.942 -0.45 0.02 H new ATOM 0 HG3 GLU A 186 6.696 -6.250 -15.528 -0.45 0.02 H new ATOM 401 N CYS A 187 4.251 -6.707 -10.808 -0.36 0.02 N ATOM 402 CA CYS A 187 3.405 -7.699 -10.168 1.00 0.02 C ATOM 403 C CYS A 187 1.947 -7.461 -10.543 0.48 0.02 C ATOM 404 O CYS A 187 1.512 -6.316 -10.626 -0.48 0.02 O ATOM 405 CB CYS A 187 3.592 -7.631 -8.646 0.20 0.02 C ATOM 406 SG CYS A 187 4.500 -9.045 -7.946 -0.20 0.02 S ATOM 0 H CYS A 187 4.696 -6.057 -10.160 -0.36 0.02 H new ATOM 0 HA CYS A 187 3.689 -8.694 -10.511 1.00 0.02 H new ATOM 0 HB2 CYS A 187 4.123 -6.712 -8.396 0.20 0.02 H new ATOM 0 HB3 CYS A 187 2.612 -7.572 -8.172 0.20 0.02 H new ATOM 411 N PRO A 188 1.171 -8.539 -10.788 -0.36 0.02 N ATOM 412 CA PRO A 188 -0.244 -8.431 -11.160 1.00 0.02 C ATOM 413 C PRO A 188 -0.987 -7.498 -10.218 0.48 0.02 C ATOM 414 O PRO A 188 -1.609 -7.943 -9.254 -0.48 0.02 O ATOM 415 CB PRO A 188 -0.774 -9.870 -11.035 -0.20 0.02 C ATOM 416 CG PRO A 188 0.325 -10.654 -10.391 -0.20 0.02 C ATOM 417 CD PRO A 188 1.602 -9.939 -10.725 0.06 0.02 C ATOM 0 HA PRO A 188 -0.381 -8.018 -12.159 1.00 0.02 H new ATOM 0 HB2 PRO A 188 -1.682 -9.901 -10.433 -0.20 0.02 H new ATOM 0 HB3 PRO A 188 -1.026 -10.280 -12.013 -0.20 0.02 H new ATOM 0 HG2 PRO A 188 0.182 -10.711 -9.312 -0.20 0.02 H new ATOM 0 HG3 PRO A 188 0.343 -11.678 -10.765 -0.20 0.02 H new ATOM 0 HD2 PRO A 188 2.366 -10.095 -9.964 0.06 0.02 H new ATOM 0 HD3 PRO A 188 2.022 -10.278 -11.672 0.06 0.02 H new ATOM 425 N GLU A 189 -0.841 -6.196 -10.471 -0.36 0.02 N ATOM 426 CA GLU A 189 -1.402 -5.146 -9.647 1.00 0.02 C ATOM 427 C GLU A 189 -0.330 -4.666 -8.699 0.48 0.02 C ATOM 428 O GLU A 189 0.742 -5.263 -8.639 -0.48 0.02 O ATOM 429 CB GLU A 189 -2.654 -5.583 -8.892 -0.20 0.02 C ATOM 430 CG GLU A 189 -3.748 -4.559 -9.007 -0.45 0.02 C ATOM 431 CD GLU A 189 -5.129 -5.134 -8.759 0.49 0.02 C ATOM 432 OE1 GLU A 189 -5.525 -5.238 -7.580 -0.62 0.02 O ATOM 433 OE2 GLU A 189 -5.813 -5.479 -9.745 -0.62 0.02 O ATOM 0 H GLU A 189 -0.317 -5.844 -11.273 -0.36 0.02 H new ATOM 0 HA GLU A 189 -1.727 -4.333 -10.296 1.00 0.02 H new ATOM 0 HB2 GLU A 189 -3.004 -6.537 -9.286 -0.20 0.02 H new ATOM 0 HB3 GLU A 189 -2.411 -5.742 -7.841 -0.20 0.02 H new ATOM 0 HG2 GLU A 189 -3.562 -3.756 -8.294 -0.45 0.02 H new ATOM 0 HG3 GLU A 189 -3.719 -4.115 -10.002 -0.45 0.02 H new ATOM 440 N GLY A 190 -0.575 -3.569 -7.999 -0.36 0.02 N ATOM 441 CA GLY A 190 0.427 -3.023 -7.102 -0.10 0.02 C ATOM 442 C GLY A 190 1.097 -4.036 -6.181 0.48 0.02 C ATOM 443 O GLY A 190 1.780 -3.639 -5.248 -0.48 0.02 O ATOM 0 H GLY A 190 -1.450 -3.045 -8.035 -0.36 0.02 H new ATOM 0 HA2 GLY A 190 1.197 -2.534 -7.698 -0.10 0.02 H new ATOM 0 HA3 GLY A 190 -0.039 -2.252 -6.489 -0.10 0.02 H new ATOM 447 N TYR A 191 0.961 -5.335 -6.445 -0.36 0.02 N ATOM 448 CA TYR A 191 1.614 -6.331 -5.615 1.00 0.02 C ATOM 449 C TYR A 191 3.104 -6.057 -5.583 0.48 0.02 C ATOM 450 O TYR A 191 3.713 -5.686 -6.584 -0.48 0.02 O ATOM 451 CB TYR A 191 1.346 -7.746 -6.140 -0.20 0.02 C ATOM 452 CG TYR A 191 -0.048 -8.268 -5.876 1.00 0.02 C ATOM 453 CD1 TYR A 191 -1.149 -7.737 -6.537 -0.14 0.02 C ATOM 454 CD2 TYR A 191 -0.261 -9.306 -4.978 -0.14 0.02 C ATOM 455 CE1 TYR A 191 -2.422 -8.222 -6.307 -0.14 0.02 C ATOM 456 CE2 TYR A 191 -1.531 -9.800 -4.744 -0.14 0.02 C ATOM 457 CZ TYR A 191 -2.608 -9.254 -5.410 0.20 0.02 C ATOM 458 OH TYR A 191 -3.875 -9.745 -5.185 -0.60 0.02 O ATOM 0 H TYR A 191 0.412 -5.713 -7.217 -0.36 0.02 H new ATOM 0 HA TYR A 191 1.209 -6.267 -4.605 1.00 0.02 H new ATOM 0 HB2 TYR A 191 1.526 -7.759 -7.215 -0.20 0.02 H new ATOM 0 HB3 TYR A 191 2.066 -8.428 -5.688 -0.20 0.02 H new ATOM 0 HD1 TYR A 191 -1.007 -6.932 -7.242 -0.14 0.02 H new ATOM 0 HD2 TYR A 191 0.580 -9.735 -4.453 -0.14 0.02 H new ATOM 0 HE1 TYR A 191 -3.267 -7.796 -6.827 -0.14 0.02 H new ATOM 0 HE2 TYR A 191 -1.679 -10.609 -4.044 -0.14 0.02 H new ATOM 0 HH TYR A 191 -3.868 -10.316 -4.389 -0.60 0.02 H new ATOM 468 N ARG A 192 3.662 -6.214 -4.410 -0.36 0.02 N ATOM 469 CA ARG A 192 5.081 -5.962 -4.183 1.00 0.02 C ATOM 470 C ARG A 192 5.912 -7.223 -4.381 0.48 0.02 C ATOM 471 O ARG A 192 5.632 -8.266 -3.797 -0.48 0.02 O ATOM 472 CB ARG A 192 5.300 -5.427 -2.768 -0.20 0.02 C ATOM 473 CG ARG A 192 5.175 -3.917 -2.663 -0.20 0.02 C ATOM 474 CD ARG A 192 5.419 -3.425 -1.243 -0.10 0.02 C ATOM 475 NE ARG A 192 4.942 -4.372 -0.236 -0.60 0.02 N ATOM 476 CZ ARG A 192 5.670 -5.380 0.243 0.60 0.02 C ATOM 477 NH1 ARG A 192 6.908 -5.583 -0.191 -0.60 0.02 N ATOM 478 NH2 ARG A 192 5.157 -6.190 1.159 -0.60 0.02 N ATOM 0 H ARG A 192 3.155 -6.520 -3.579 -0.36 0.02 H new ATOM 0 HA ARG A 192 5.405 -5.220 -4.913 1.00 0.02 H new ATOM 0 HB2 ARG A 192 4.577 -5.891 -2.097 -0.20 0.02 H new ATOM 0 HB3 ARG A 192 6.290 -5.726 -2.425 -0.20 0.02 H new ATOM 0 HG2 ARG A 192 5.889 -3.446 -3.338 -0.20 0.02 H new ATOM 0 HG3 ARG A 192 4.180 -3.612 -2.987 -0.20 0.02 H new ATOM 0 HD2 ARG A 192 6.486 -3.252 -1.099 -0.10 0.02 H new ATOM 0 HD3 ARG A 192 4.919 -2.467 -1.102 -0.10 0.02 H new ATOM 0 HE ARG A 192 3.994 -4.254 0.122 -0.60 0.02 H new ATOM 0 HH11 ARG A 192 7.309 -4.965 -0.896 -0.60 0.02 H new ATOM 0 HH12 ARG A 192 7.458 -6.357 0.181 -0.60 0.02 H new ATOM 0 HH21 ARG A 192 4.206 -6.041 1.496 -0.60 0.02 H new ATOM 0 HH22 ARG A 192 5.713 -6.962 1.526 -0.60 0.02 H new ATOM 492 N TYR A 193 6.940 -7.115 -5.210 -0.36 0.02 N ATOM 493 CA TYR A 193 7.817 -8.234 -5.494 1.00 0.02 C ATOM 494 C TYR A 193 8.917 -8.354 -4.445 0.48 0.02 C ATOM 495 O TYR A 193 9.262 -7.379 -3.778 -0.48 0.02 O ATOM 496 CB TYR A 193 8.434 -8.061 -6.875 -0.20 0.02 C ATOM 497 CG TYR A 193 8.966 -9.342 -7.450 1.00 0.02 C ATOM 498 CD1 TYR A 193 8.150 -10.173 -8.198 -0.14 0.02 C ATOM 499 CD2 TYR A 193 10.281 -9.721 -7.241 -0.14 0.02 C ATOM 500 CE1 TYR A 193 8.630 -11.353 -8.727 -0.14 0.02 C ATOM 501 CE2 TYR A 193 10.775 -10.897 -7.766 -0.14 0.02 C ATOM 502 CZ TYR A 193 9.945 -11.712 -8.510 0.20 0.02 C ATOM 503 OH TYR A 193 10.431 -12.884 -9.041 -0.60 0.02 O ATOM 0 H TYR A 193 7.186 -6.255 -5.700 -0.36 0.02 H new ATOM 0 HA TYR A 193 7.225 -9.149 -5.468 1.00 0.02 H new ATOM 0 HB2 TYR A 193 7.685 -7.650 -7.552 -0.20 0.02 H new ATOM 0 HB3 TYR A 193 9.243 -7.333 -6.816 -0.20 0.02 H new ATOM 0 HD1 TYR A 193 7.121 -9.893 -8.370 -0.14 0.02 H new ATOM 0 HD2 TYR A 193 10.931 -9.086 -6.657 -0.14 0.02 H new ATOM 0 HE1 TYR A 193 7.981 -11.992 -9.307 -0.14 0.02 H new ATOM 0 HE2 TYR A 193 11.804 -11.178 -7.596 -0.14 0.02 H new ATOM 0 HH TYR A 193 11.410 -12.877 -9.007 -0.60 0.02 H new ATOM 513 N ASN A 194 9.456 -9.560 -4.297 -0.36 0.02 N ATOM 514 CA ASN A 194 10.508 -9.810 -3.320 1.00 0.02 C ATOM 515 C ASN A 194 11.686 -10.557 -3.939 0.48 0.02 C ATOM 516 O ASN A 194 11.516 -11.633 -4.518 -0.48 0.02 O ATOM 517 CB ASN A 194 9.949 -10.617 -2.149 -0.20 0.02 C ATOM 518 CG ASN A 194 10.314 -10.019 -0.805 0.48 0.02 C ATOM 519 OD1 ASN A 194 9.491 -9.969 0.110 -0.48 0.02 O ATOM 520 ND2 ASN A 194 11.554 -9.561 -0.677 -0.52 0.02 N ATOM 0 H ASN A 194 9.182 -10.378 -4.841 -0.36 0.02 H new ATOM 0 HA ASN A 194 10.869 -8.844 -2.966 1.00 0.02 H new ATOM 0 HB2 ASN A 194 8.864 -10.673 -2.236 -0.20 0.02 H new ATOM 0 HB3 ASN A 194 10.326 -11.638 -2.203 -0.20 0.02 H new ATOM 0 HD21 ASN A 194 11.857 -9.148 0.205 -0.52 0.02 H new ATOM 0 HD22 ASN A 194 12.204 -9.622 -1.461 -0.52 0.02 H new ATOM 527 N LEU A 195 12.881 -9.986 -3.801 -0.36 0.02 N ATOM 528 CA LEU A 195 14.100 -10.592 -4.327 1.00 0.02 C ATOM 529 C LEU A 195 14.534 -11.766 -3.450 0.48 0.02 C ATOM 530 O LEU A 195 15.385 -12.566 -3.838 -0.48 0.02 O ATOM 531 CB LEU A 195 15.211 -9.534 -4.381 -0.20 0.02 C ATOM 532 CG LEU A 195 16.308 -9.754 -5.430 -0.10 0.02 C ATOM 533 CD1 LEU A 195 17.192 -10.932 -5.047 -0.30 0.02 C ATOM 534 CD2 LEU A 195 15.707 -9.951 -6.816 -0.30 0.02 C ATOM 0 H LEU A 195 13.030 -9.096 -3.325 -0.36 0.02 H new ATOM 0 HA LEU A 195 13.907 -10.968 -5.332 1.00 0.02 H new ATOM 0 HB2 LEU A 195 14.751 -8.563 -4.566 -0.20 0.02 H new ATOM 0 HB3 LEU A 195 15.682 -9.482 -3.399 -0.20 0.02 H new ATOM 0 HG LEU A 195 16.930 -8.860 -5.460 -0.10 0.02 H new ATOM 0 HD11 LEU A 195 17.963 -11.070 -5.805 -0.30 0.02 H new ATOM 0 HD12 LEU A 195 17.662 -10.736 -4.083 -0.30 0.02 H new ATOM 0 HD13 LEU A 195 16.585 -11.835 -4.978 -0.30 0.02 H new ATOM 0 HD21 LEU A 195 16.506 -10.105 -7.541 -0.30 0.02 H new ATOM 0 HD22 LEU A 195 15.052 -10.822 -6.808 -0.30 0.02 H new ATOM 0 HD23 LEU A 195 15.132 -9.067 -7.092 -0.30 0.02 H new ATOM 546 N LYS A 196 13.943 -11.861 -2.261 -0.36 0.02 N ATOM 547 CA LYS A 196 14.259 -12.927 -1.326 1.00 0.02 C ATOM 548 C LYS A 196 13.988 -14.278 -1.956 0.48 0.02 C ATOM 549 O LYS A 196 14.844 -15.163 -1.956 -0.48 0.02 O ATOM 550 CB LYS A 196 13.424 -12.774 -0.055 -0.20 0.02 C ATOM 551 CG LYS A 196 14.193 -12.171 1.102 -0.20 0.02 C ATOM 552 CD LYS A 196 14.477 -10.697 0.871 -0.20 0.02 C ATOM 553 CE LYS A 196 15.402 -10.133 1.938 0.30 5.02 C ATOM 554 NZ LYS A 196 16.831 -10.194 1.523 -0.81 0.02 N ATOM 0 H LYS A 196 13.238 -11.205 -1.925 -0.36 0.02 H new ATOM 0 HA LYS A 196 15.317 -12.862 -1.070 1.00 0.02 H new ATOM 0 HB2 LYS A 196 12.558 -12.148 -0.271 -0.20 0.02 H new ATOM 0 HB3 LYS A 196 13.044 -13.752 0.241 -0.20 0.02 H new ATOM 0 HG2 LYS A 196 13.623 -12.293 2.023 -0.20 0.02 H new ATOM 0 HG3 LYS A 196 15.132 -12.707 1.235 -0.20 0.02 H new ATOM 0 HD2 LYS A 196 14.929 -10.562 -0.112 -0.20 0.02 H new ATOM 0 HD3 LYS A 196 13.540 -10.141 0.870 -0.20 0.02 H new ATOM 0 HE2 LYS A 196 15.128 -9.099 2.146 0.30 5.02 H new ATOM 0 HE3 LYS A 196 15.269 -10.690 2.865 0.30 5.02 H new ATOM 0 HZ1 LYS A 196 17.429 -9.800 2.277 -0.81 0.02 H new ATOM 0 HZ2 LYS A 196 17.100 -11.183 1.349 -0.81 0.02 H new ATOM 0 HZ3 LYS A 196 16.964 -9.641 0.652 -0.81 0.02 H new ATOM 568 N SER A 197 12.787 -14.429 -2.491 -0.36 0.02 N ATOM 569 CA SER A 197 12.395 -15.677 -3.126 1.00 0.02 C ATOM 570 C SER A 197 12.074 -15.485 -4.603 0.48 0.02 C ATOM 571 O SER A 197 11.721 -16.438 -5.298 -0.48 0.02 O ATOM 572 CB SER A 197 11.195 -16.289 -2.403 0.08 0.02 C ATOM 573 OG SER A 197 10.987 -17.632 -2.806 -0.68 0.02 O ATOM 0 H SER A 197 12.068 -13.705 -2.498 -0.36 0.02 H new ATOM 0 HA SER A 197 13.243 -16.359 -3.056 1.00 0.02 H new ATOM 0 HB2 SER A 197 11.357 -16.250 -1.326 0.08 0.02 H new ATOM 0 HB3 SER A 197 10.302 -15.701 -2.612 0.08 0.02 H new ATOM 0 HG SER A 197 11.169 -17.718 -3.765 -0.68 0.02 H new ATOM 579 N LYS A 198 12.186 -14.252 -5.078 -0.36 0.02 N ATOM 580 CA LYS A 198 11.895 -13.939 -6.461 1.00 0.02 C ATOM 581 C LYS A 198 10.509 -14.385 -6.827 0.48 0.02 C ATOM 582 O LYS A 198 10.296 -15.231 -7.696 -0.48 0.02 O ATOM 583 CB LYS A 198 12.933 -14.532 -7.383 -0.20 0.02 C ATOM 584 CG LYS A 198 14.025 -13.536 -7.622 -0.20 0.02 C ATOM 585 CD LYS A 198 14.843 -13.339 -6.366 -0.20 0.02 C ATOM 586 CE LYS A 198 15.898 -14.421 -6.205 0.30 5.02 C ATOM 587 NZ LYS A 198 15.357 -15.627 -5.519 -0.81 0.02 N ATOM 0 H LYS A 198 12.478 -13.451 -4.518 -0.36 0.02 H new ATOM 0 HA LYS A 198 11.936 -12.856 -6.582 1.00 0.02 H new ATOM 0 HB2 LYS A 198 13.346 -15.440 -6.945 -0.20 0.02 H new ATOM 0 HB3 LYS A 198 12.473 -14.816 -8.330 -0.20 0.02 H new ATOM 0 HG2 LYS A 198 14.668 -13.879 -8.432 -0.20 0.02 H new ATOM 0 HG3 LYS A 198 13.596 -12.585 -7.937 -0.20 0.02 H new ATOM 0 HD2 LYS A 198 15.326 -12.362 -6.396 -0.20 0.02 H new ATOM 0 HD3 LYS A 198 14.183 -13.342 -5.498 -0.20 0.02 H new ATOM 0 HE2 LYS A 198 16.282 -14.703 -7.186 0.30 5.02 H new ATOM 0 HE3 LYS A 198 16.739 -14.026 -5.635 0.30 5.02 H new ATOM 0 HZ1 LYS A 198 16.110 -16.075 -4.959 -0.81 0.02 H new ATOM 0 HZ2 LYS A 198 14.577 -15.348 -4.890 -0.81 0.02 H new ATOM 0 HZ3 LYS A 198 15.006 -16.302 -6.228 -0.81 0.02 H new ATOM 601 N SER A 199 9.578 -13.783 -6.135 -0.36 0.02 N ATOM 602 CA SER A 199 8.162 -14.065 -6.331 1.00 0.02 C ATOM 603 C SER A 199 7.301 -12.847 -6.012 0.48 0.02 C ATOM 604 O SER A 199 7.771 -11.875 -5.419 -0.48 0.02 O ATOM 605 CB SER A 199 7.731 -15.246 -5.459 0.08 0.02 C ATOM 606 OG SER A 199 7.860 -16.471 -6.159 -0.68 0.02 O ATOM 0 H SER A 199 9.769 -13.083 -5.418 -0.36 0.02 H new ATOM 0 HA SER A 199 8.018 -14.318 -7.381 1.00 0.02 H new ATOM 0 HB2 SER A 199 8.338 -15.275 -4.554 0.08 0.02 H new ATOM 0 HB3 SER A 199 6.696 -15.111 -5.144 0.08 0.02 H new ATOM 0 HG SER A 199 8.619 -16.417 -6.777 -0.68 0.02 H new ATOM 612 N CYS A 200 6.038 -12.910 -6.420 -0.36 0.02 N ATOM 613 CA CYS A 200 5.104 -11.815 -6.188 1.00 0.02 C ATOM 614 C CYS A 200 4.602 -11.846 -4.750 0.48 0.02 C ATOM 615 O CYS A 200 4.287 -12.911 -4.218 -0.48 0.02 O ATOM 616 CB CYS A 200 3.923 -11.909 -7.155 0.20 0.02 C ATOM 617 SG CYS A 200 3.036 -10.337 -7.394 -0.20 0.02 S ATOM 0 H CYS A 200 5.638 -13.708 -6.913 -0.36 0.02 H new ATOM 0 HA CYS A 200 5.625 -10.873 -6.360 1.00 0.02 H new ATOM 0 HB2 CYS A 200 4.285 -12.261 -8.121 0.20 0.02 H new ATOM 0 HB3 CYS A 200 3.222 -12.657 -6.785 0.20 0.02 H new ATOM 622 N GLU A 201 4.550 -10.679 -4.112 -0.36 0.02 N ATOM 623 CA GLU A 201 4.110 -10.600 -2.724 1.00 0.02 C ATOM 624 C GLU A 201 3.260 -9.359 -2.444 0.48 0.02 C ATOM 625 O GLU A 201 3.773 -8.244 -2.378 -0.48 0.02 O ATOM 626 CB GLU A 201 5.322 -10.614 -1.791 -0.20 0.02 C ATOM 627 CG GLU A 201 6.249 -11.798 -2.015 -0.45 0.02 C ATOM 628 CD GLU A 201 6.944 -12.244 -0.744 0.49 0.02 C ATOM 629 OE1 GLU A 201 6.257 -12.385 0.290 -0.62 0.02 O ATOM 630 OE2 GLU A 201 8.175 -12.454 -0.781 -0.62 0.02 O ATOM 0 H GLU A 201 4.805 -9.784 -4.530 -0.36 0.02 H new ATOM 0 HA GLU A 201 3.482 -11.472 -2.539 1.00 0.02 H new ATOM 0 HB2 GLU A 201 5.886 -9.691 -1.927 -0.20 0.02 H new ATOM 0 HB3 GLU A 201 4.975 -10.626 -0.758 -0.20 0.02 H new ATOM 0 HG2 GLU A 201 5.676 -12.631 -2.423 -0.45 0.02 H new ATOM 0 HG3 GLU A 201 6.999 -11.532 -2.760 -0.45 0.02 H new ATOM 637 N ASP A 202 1.957 -9.593 -2.275 -0.36 0.02 N ATOM 638 CA ASP A 202 0.972 -8.551 -1.984 1.00 0.02 C ATOM 639 C ASP A 202 1.624 -7.288 -1.439 0.48 0.02 C ATOM 640 O ASP A 202 2.587 -7.336 -0.674 -0.48 0.02 O ATOM 641 CB ASP A 202 -0.062 -9.066 -0.982 -0.45 0.02 C ATOM 642 CG ASP A 202 -1.036 -7.985 -0.555 0.49 0.02 C ATOM 643 OD1 ASP A 202 -1.494 -7.222 -1.431 -0.62 0.02 O ATOM 644 OD2 ASP A 202 -1.340 -7.901 0.654 -0.62 0.02 O ATOM 0 H ASP A 202 1.551 -10.527 -2.338 -0.36 0.02 H new ATOM 0 HA ASP A 202 0.481 -8.298 -2.924 1.00 0.02 H new ATOM 0 HB2 ASP A 202 -0.614 -9.895 -1.426 -0.45 0.02 H new ATOM 0 HB3 ASP A 202 0.450 -9.458 -0.104 -0.45 0.02 H new ATOM 649 N ILE A 203 1.088 -6.164 -1.862 -0.36 0.02 N ATOM 650 CA ILE A 203 1.595 -4.866 -1.469 1.00 0.02 C ATOM 651 C ILE A 203 1.092 -4.422 -0.095 0.48 0.02 C ATOM 652 O ILE A 203 0.126 -4.971 0.448 -0.48 0.02 O ATOM 653 CB ILE A 203 1.209 -3.835 -2.532 -0.10 0.02 C ATOM 654 CG1 ILE A 203 1.906 -2.502 -2.304 -0.20 0.02 C ATOM 655 CG2 ILE A 203 -0.292 -3.658 -2.573 -0.30 0.02 C ATOM 656 CD1 ILE A 203 2.092 -1.733 -3.584 -0.30 0.02 C ATOM 0 H ILE A 203 0.286 -6.124 -2.490 -0.36 0.02 H new ATOM 0 HA ILE A 203 2.679 -4.945 -1.390 1.00 0.02 H new ATOM 0 HB ILE A 203 1.543 -4.213 -3.498 -0.10 0.02 H new ATOM 0 HG12 ILE A 203 1.323 -1.904 -1.604 -0.20 0.02 H new ATOM 0 HG13 ILE A 203 2.878 -2.676 -1.842 -0.20 0.02 H new ATOM 0 HG21 ILE A 203 -0.551 -2.922 -3.334 -0.30 0.02 H new ATOM 0 HG22 ILE A 203 -0.764 -4.610 -2.814 -0.30 0.02 H new ATOM 0 HG23 ILE A 203 -0.645 -3.314 -1.601 -0.30 0.02 H new ATOM 0 HD11 ILE A 203 2.593 -0.789 -3.372 -0.30 0.02 H new ATOM 0 HD12 ILE A 203 2.698 -2.318 -4.275 -0.30 0.02 H new ATOM 0 HD13 ILE A 203 1.119 -1.534 -4.034 -0.30 0.02 H new ATOM 668 N ASP A 204 1.762 -3.399 0.433 -0.36 0.02 N ATOM 669 CA ASP A 204 1.429 -2.816 1.725 1.00 0.02 C ATOM 670 C ASP A 204 0.625 -1.530 1.536 0.48 0.02 C ATOM 671 O ASP A 204 1.022 -0.457 1.992 -0.48 0.02 O ATOM 672 CB ASP A 204 2.709 -2.536 2.518 -0.45 0.02 C ATOM 673 CG ASP A 204 2.939 -3.550 3.622 0.49 0.02 C ATOM 674 OD1 ASP A 204 2.489 -4.705 3.469 -0.62 0.02 O ATOM 675 OD2 ASP A 204 3.568 -3.189 4.638 -0.62 0.02 O ATOM 0 H ASP A 204 2.554 -2.952 -0.028 -0.36 0.02 H new ATOM 0 HA ASP A 204 0.818 -3.524 2.285 1.00 0.02 H new ATOM 0 HB2 ASP A 204 3.562 -2.542 1.840 -0.45 0.02 H new ATOM 0 HB3 ASP A 204 2.653 -1.537 2.951 -0.45 0.02 H new ATOM 680 N GLU A 205 -0.505 -1.653 0.850 -0.36 0.02 N ATOM 681 CA GLU A 205 -1.379 -0.522 0.577 1.00 0.02 C ATOM 682 C GLU A 205 -1.783 0.216 1.850 0.48 0.02 C ATOM 683 O GLU A 205 -1.840 1.440 1.866 -0.48 0.02 O ATOM 684 CB GLU A 205 -2.623 -1.006 -0.153 -0.20 0.02 C ATOM 685 CG GLU A 205 -2.355 -1.417 -1.590 -0.45 0.02 C ATOM 686 CD GLU A 205 -2.995 -2.742 -1.950 0.49 0.02 C ATOM 687 OE1 GLU A 205 -2.805 -3.724 -1.196 -0.62 0.02 O ATOM 688 OE2 GLU A 205 -3.686 -2.796 -2.986 -0.62 0.02 O ATOM 0 H GLU A 205 -0.839 -2.538 0.469 -0.36 0.02 H new ATOM 0 HA GLU A 205 -0.825 0.181 -0.046 1.00 0.02 H new ATOM 0 HB2 GLU A 205 -3.046 -1.853 0.387 -0.20 0.02 H new ATOM 0 HB3 GLU A 205 -3.373 -0.215 -0.143 -0.20 0.02 H new ATOM 0 HG2 GLU A 205 -2.730 -0.644 -2.260 -0.45 0.02 H new ATOM 0 HG3 GLU A 205 -1.279 -1.483 -1.750 -0.45 0.02 H new ATOM 695 N CYS A 206 -2.069 -0.526 2.912 -0.36 0.02 N ATOM 696 CA CYS A 206 -2.472 0.090 4.172 1.00 0.02 C ATOM 697 C CYS A 206 -1.250 0.546 4.970 0.48 0.02 C ATOM 698 O CYS A 206 -1.305 1.538 5.696 -0.48 0.02 O ATOM 699 CB CYS A 206 -3.348 -0.878 4.987 0.20 0.02 C ATOM 700 SG CYS A 206 -2.817 -1.156 6.715 -0.20 0.02 S ATOM 0 H CYS A 206 -2.031 -1.545 2.928 -0.36 0.02 H new ATOM 0 HA CYS A 206 -3.067 0.976 3.951 1.00 0.02 H new ATOM 0 HB2 CYS A 206 -4.369 -0.496 4.996 0.20 0.02 H new ATOM 0 HB3 CYS A 206 -3.371 -1.839 4.473 0.20 0.02 H new ATOM 705 N SER A 207 -0.153 -0.186 4.828 -0.36 0.02 N ATOM 706 CA SER A 207 1.080 0.144 5.534 1.00 0.02 C ATOM 707 C SER A 207 1.597 1.510 5.096 0.48 0.02 C ATOM 708 O SER A 207 2.317 2.182 5.834 -0.48 0.02 O ATOM 709 CB SER A 207 2.143 -0.927 5.285 0.08 0.02 C ATOM 710 OG SER A 207 2.747 -1.338 6.499 -0.68 0.02 O ATOM 0 H SER A 207 -0.091 -1.011 4.232 -0.36 0.02 H new ATOM 0 HA SER A 207 0.864 0.179 6.602 1.00 0.02 H new ATOM 0 HB2 SER A 207 1.689 -1.787 4.792 0.08 0.02 H new ATOM 0 HB3 SER A 207 2.905 -0.538 4.610 0.08 0.02 H new ATOM 0 HG SER A 207 3.249 -2.166 6.351 -0.68 0.02 H new ATOM 716 N GLU A 208 1.242 1.899 3.877 -0.36 0.02 N ATOM 717 CA GLU A 208 1.682 3.167 3.312 1.00 0.02 C ATOM 718 C GLU A 208 0.875 4.342 3.861 0.48 0.02 C ATOM 719 O GLU A 208 1.256 5.499 3.684 -0.48 0.02 O ATOM 720 CB GLU A 208 1.542 3.109 1.795 -0.20 0.02 C ATOM 721 CG GLU A 208 2.661 2.344 1.116 -0.45 0.02 C ATOM 722 CD GLU A 208 2.860 2.759 -0.329 0.49 0.02 C ATOM 723 OE1 GLU A 208 2.907 3.978 -0.596 -0.62 0.02 O ATOM 724 OE2 GLU A 208 2.970 1.864 -1.193 -0.62 0.02 O ATOM 0 H GLU A 208 0.646 1.349 3.258 -0.36 0.02 H new ATOM 0 HA GLU A 208 2.724 3.325 3.592 1.00 0.02 H new ATOM 0 HB2 GLU A 208 0.589 2.644 1.543 -0.20 0.02 H new ATOM 0 HB3 GLU A 208 1.515 4.125 1.401 -0.20 0.02 H new ATOM 0 HG2 GLU A 208 3.589 2.501 1.666 -0.45 0.02 H new ATOM 0 HG3 GLU A 208 2.443 1.277 1.157 -0.45 0.02 H new ATOM 731 N ASN A 209 -0.231 4.039 4.536 -0.36 0.02 N ATOM 732 CA ASN A 209 -1.089 5.068 5.130 1.00 0.02 C ATOM 733 C ASN A 209 -2.039 5.678 4.100 0.48 0.02 C ATOM 734 O ASN A 209 -2.017 6.885 3.857 -0.48 0.02 O ATOM 735 CB ASN A 209 -0.247 6.170 5.785 -0.20 0.02 C ATOM 736 CG ASN A 209 -0.851 6.661 7.087 0.48 0.02 C ATOM 737 OD1 ASN A 209 -0.765 5.991 8.116 -0.48 0.02 O ATOM 738 ND2 ASN A 209 -1.465 7.838 7.047 -0.52 0.02 N ATOM 0 H ASN A 209 -0.558 3.085 4.687 -0.36 0.02 H new ATOM 0 HA ASN A 209 -1.691 4.580 5.896 1.00 0.02 H new ATOM 0 HB2 ASN A 209 0.758 5.792 5.973 -0.20 0.02 H new ATOM 0 HB3 ASN A 209 -0.149 7.008 5.094 -0.20 0.02 H new ATOM 0 HD21 ASN A 209 -1.889 8.221 7.892 -0.52 0.02 H new ATOM 0 HD22 ASN A 209 -1.512 8.359 6.171 -0.52 0.02 H new ATOM 745 N MET A 210 -2.885 4.838 3.515 -0.36 0.02 N ATOM 746 CA MET A 210 -3.863 5.293 2.527 1.00 0.02 C ATOM 747 C MET A 210 -5.261 4.899 2.940 0.48 0.02 C ATOM 748 O MET A 210 -6.212 5.039 2.172 -0.48 0.02 O ATOM 749 CB MET A 210 -3.543 4.743 1.134 -0.20 0.02 C ATOM 750 CG MET A 210 -2.143 4.169 1.013 -0.11 5.02 C ATOM 751 SD MET A 210 -1.747 3.632 -0.663 -0.17 0.02 S ATOM 752 CE MET A 210 -3.270 2.814 -1.130 -0.21 5.02 C ATOM 0 H MET A 210 -2.915 3.837 3.706 -0.36 0.02 H new ATOM 0 HA MET A 210 -3.807 6.381 2.481 1.00 0.02 H new ATOM 0 HB2 MET A 210 -4.267 3.968 0.884 -0.20 0.02 H new ATOM 0 HB3 MET A 210 -3.664 5.541 0.401 -0.20 0.02 H new ATOM 0 HG2 MET A 210 -1.419 4.920 1.329 -0.11 5.02 H new ATOM 0 HG3 MET A 210 -2.042 3.323 1.693 -0.11 5.02 H new ATOM 0 HE1 MET A 210 -3.103 2.220 -2.028 -0.21 5.02 H new ATOM 0 HE2 MET A 210 -3.597 2.163 -0.319 -0.21 5.02 H new ATOM 0 HE3 MET A 210 -4.039 3.561 -1.327 -0.21 5.02 H new ATOM 762 N CYS A 211 -5.386 4.425 4.166 -0.36 0.02 N ATOM 763 CA CYS A 211 -6.675 4.034 4.690 1.00 0.02 C ATOM 764 C CYS A 211 -6.960 4.778 5.968 0.48 0.02 C ATOM 765 O CYS A 211 -6.042 5.104 6.721 -0.48 0.02 O ATOM 766 CB CYS A 211 -6.725 2.526 4.926 0.20 0.02 C ATOM 767 SG CYS A 211 -7.389 1.572 3.532 -0.20 0.02 S ATOM 0 H CYS A 211 -4.609 4.303 4.815 -0.36 0.02 H new ATOM 0 HA CYS A 211 -7.441 4.289 3.958 1.00 0.02 H new ATOM 0 HB2 CYS A 211 -5.718 2.171 5.147 0.20 0.02 H new ATOM 0 HB3 CYS A 211 -7.333 2.328 5.809 0.20 0.02 H new ATOM 772 N ALA A 212 -8.232 5.046 6.227 -0.36 0.02 N ATOM 773 CA ALA A 212 -8.601 5.747 7.430 1.00 0.02 C ATOM 774 C ALA A 212 -9.132 4.780 8.483 0.48 0.02 C ATOM 775 O ALA A 212 -9.482 3.643 8.167 -0.48 0.02 O ATOM 776 CB ALA A 212 -9.627 6.829 7.124 -0.30 0.02 C ATOM 0 H ALA A 212 -9.012 4.788 5.622 -0.36 0.02 H new ATOM 0 HA ALA A 212 -7.708 6.225 7.833 1.00 0.02 H new ATOM 0 HB1 ALA A 212 -9.894 7.348 8.045 -0.30 0.02 H new ATOM 0 HB2 ALA A 212 -9.204 7.541 6.415 -0.30 0.02 H new ATOM 0 HB3 ALA A 212 -10.518 6.374 6.693 -0.30 0.02 H new ATOM 782 N GLN A 213 -9.212 5.239 9.729 -0.36 0.02 N ATOM 783 CA GLN A 213 -9.725 4.411 10.819 1.00 0.02 C ATOM 784 C GLN A 213 -8.958 3.095 10.942 0.48 0.02 C ATOM 785 O GLN A 213 -8.026 2.980 11.738 -0.48 0.02 O ATOM 786 CB GLN A 213 -11.210 4.137 10.605 -0.20 0.02 C ATOM 787 CG GLN A 213 -12.112 5.056 11.407 -0.20 0.02 C ATOM 788 CD GLN A 213 -11.782 5.041 12.886 0.48 0.02 C ATOM 789 OE1 GLN A 213 -11.479 6.077 13.478 -0.48 0.02 O ATOM 790 NE2 GLN A 213 -11.838 3.862 13.490 -0.52 0.02 N ATOM 0 H GLN A 213 -8.929 6.178 10.010 -0.36 0.02 H new ATOM 0 HA GLN A 213 -9.585 4.960 11.750 1.00 0.02 H new ATOM 0 HB2 GLN A 213 -11.443 4.245 9.546 -0.20 0.02 H new ATOM 0 HB3 GLN A 213 -11.424 3.103 10.875 -0.20 0.02 H new ATOM 0 HG2 GLN A 213 -12.020 6.073 11.027 -0.20 0.02 H new ATOM 0 HG3 GLN A 213 -13.150 4.756 11.266 -0.20 0.02 H new ATOM 0 HE21 GLN A 213 -12.094 3.029 12.960 -0.52 0.02 H new ATOM 0 HE22 GLN A 213 -11.625 3.788 14.485 -0.52 0.02 H new ATOM 799 N LEU A 214 -9.351 2.111 10.141 -0.36 0.02 N ATOM 800 CA LEU A 214 -8.706 0.810 10.142 1.00 0.02 C ATOM 801 C LEU A 214 -8.351 0.404 8.737 0.48 0.02 C ATOM 802 O LEU A 214 -9.181 0.493 7.839 -0.48 0.02 O ATOM 803 CB LEU A 214 -9.624 -0.233 10.740 -0.20 0.02 C ATOM 804 CG LEU A 214 -9.857 -0.072 12.225 -0.10 0.02 C ATOM 805 CD1 LEU A 214 -8.518 -0.054 12.945 -0.30 0.02 C ATOM 806 CD2 LEU A 214 -10.647 1.196 12.494 -0.30 0.02 C ATOM 0 H LEU A 214 -10.121 2.195 9.478 -0.36 0.02 H new ATOM 0 HA LEU A 214 -7.799 0.881 10.742 1.00 0.02 H new ATOM 0 HB2 LEU A 214 -10.584 -0.194 10.226 -0.20 0.02 H new ATOM 0 HB3 LEU A 214 -9.203 -1.221 10.554 -0.20 0.02 H new ATOM 0 HG LEU A 214 -10.441 -0.912 12.601 -0.10 0.02 H new ATOM 0 HD11 LEU A 214 -8.682 0.062 14.016 -0.30 0.02 H new ATOM 0 HD12 LEU A 214 -7.992 -0.990 12.758 -0.30 0.02 H new ATOM 0 HD13 LEU A 214 -7.919 0.779 12.578 -0.30 0.02 H new ATOM 0 HD21 LEU A 214 -10.810 1.303 13.567 -0.30 0.02 H new ATOM 0 HD22 LEU A 214 -10.090 2.057 12.124 -0.30 0.02 H new ATOM 0 HD23 LEU A 214 -11.609 1.140 11.985 -0.30 0.02 H new ATOM 818 N CYS A 215 -7.111 0.003 8.520 -0.36 0.02 N ATOM 819 CA CYS A 215 -6.690 -0.351 7.186 1.00 0.02 C ATOM 820 C CYS A 215 -6.430 -1.846 6.994 0.48 0.02 C ATOM 821 O CYS A 215 -5.311 -2.318 7.175 -0.48 0.02 O ATOM 822 CB CYS A 215 -5.443 0.459 6.829 0.20 0.02 C ATOM 823 SG CYS A 215 -3.970 0.088 7.844 -0.20 0.02 S ATOM 0 H CYS A 215 -6.393 -0.083 9.239 -0.36 0.02 H new ATOM 0 HA CYS A 215 -7.514 -0.111 6.514 1.00 0.02 H new ATOM 0 HB2 CYS A 215 -5.199 0.281 5.782 0.20 0.02 H new ATOM 0 HB3 CYS A 215 -5.676 1.519 6.926 0.20 0.02 H new ATOM 828 N VAL A 216 -7.450 -2.581 6.552 -0.36 0.02 N ATOM 829 CA VAL A 216 -7.266 -3.996 6.259 1.00 0.02 C ATOM 830 C VAL A 216 -6.968 -4.122 4.790 0.48 0.02 C ATOM 831 O VAL A 216 -7.864 -4.051 3.950 -0.48 0.02 O ATOM 832 CB VAL A 216 -8.480 -4.885 6.582 -0.10 0.02 C ATOM 833 CG1 VAL A 216 -8.589 -6.059 5.598 -0.30 0.02 C ATOM 834 CG2 VAL A 216 -8.404 -5.407 8.009 -0.30 0.02 C ATOM 0 H VAL A 216 -8.393 -2.227 6.392 -0.36 0.02 H new ATOM 0 HA VAL A 216 -6.456 -4.346 6.898 1.00 0.02 H new ATOM 0 HB VAL A 216 -9.373 -4.269 6.480 -0.10 0.02 H new ATOM 0 HG11 VAL A 216 -9.456 -6.668 5.853 -0.30 0.02 H new ATOM 0 HG12 VAL A 216 -8.701 -5.675 4.584 -0.30 0.02 H new ATOM 0 HG13 VAL A 216 -7.687 -6.669 5.658 -0.30 0.02 H new ATOM 0 HG21 VAL A 216 -9.273 -6.033 8.214 -0.30 0.02 H new ATOM 0 HG22 VAL A 216 -7.495 -5.996 8.133 -0.30 0.02 H new ATOM 0 HG23 VAL A 216 -8.390 -4.567 8.703 -0.30 0.02 H new ATOM 844 N ASN A 217 -5.716 -4.304 4.484 -0.36 0.02 N ATOM 845 CA ASN A 217 -5.312 -4.436 3.110 1.00 0.02 C ATOM 846 C ASN A 217 -5.203 -5.908 2.741 0.48 0.02 C ATOM 847 O ASN A 217 -4.261 -6.574 3.168 -0.48 0.02 O ATOM 848 CB ASN A 217 -3.983 -3.722 2.867 -0.20 0.02 C ATOM 849 CG ASN A 217 -3.362 -4.104 1.541 0.48 0.02 C ATOM 850 OD1 ASN A 217 -4.059 -4.511 0.612 -0.48 0.02 O ATOM 851 ND2 ASN A 217 -2.049 -3.970 1.447 -0.52 0.02 N ATOM 0 H ASN A 217 -4.958 -4.365 5.163 -0.36 0.02 H new ATOM 0 HA ASN A 217 -6.067 -3.969 2.477 1.00 0.02 H new ATOM 0 HB2 ASN A 217 -4.142 -2.644 2.895 -0.20 0.02 H new ATOM 0 HB3 ASN A 217 -3.290 -3.963 3.673 -0.20 0.02 H new ATOM 0 HD21 ASN A 217 -1.573 -4.208 0.577 -0.52 0.02 H new ATOM 0 HD22 ASN A 217 -1.513 -3.628 2.245 -0.52 0.02 H new ATOM 858 N TYR A 218 -6.159 -6.445 1.971 -0.36 0.02 N ATOM 859 CA TYR A 218 -6.087 -7.853 1.628 1.00 0.02 C ATOM 860 C TYR A 218 -5.188 -8.072 0.432 0.48 0.02 C ATOM 861 O TYR A 218 -4.783 -7.117 -0.242 -0.48 0.02 O ATOM 862 CB TYR A 218 -7.483 -8.461 1.395 -0.20 0.02 C ATOM 863 CG TYR A 218 -8.421 -7.665 0.509 1.00 0.02 C ATOM 864 CD1 TYR A 218 -8.414 -7.824 -0.875 -0.14 0.02 C ATOM 865 CD2 TYR A 218 -9.347 -6.789 1.063 -0.14 0.02 C ATOM 866 CE1 TYR A 218 -9.302 -7.130 -1.677 -0.14 0.02 C ATOM 867 CE2 TYR A 218 -10.232 -6.087 0.267 -0.14 0.02 C ATOM 868 CZ TYR A 218 -10.207 -6.262 -1.102 0.20 0.02 C ATOM 869 OH TYR A 218 -11.092 -5.569 -1.896 -0.60 0.02 O ATOM 0 H TYR A 218 -6.959 -5.940 1.591 -0.36 0.02 H new ATOM 0 HA TYR A 218 -5.651 -8.373 2.480 1.00 0.02 H new ATOM 0 HB2 TYR A 218 -7.357 -9.451 0.957 -0.20 0.02 H new ATOM 0 HB3 TYR A 218 -7.962 -8.600 2.364 -0.20 0.02 H new ATOM 0 HD1 TYR A 218 -7.704 -8.500 -1.329 -0.14 0.02 H new ATOM 0 HD2 TYR A 218 -9.375 -6.655 2.134 -0.14 0.02 H new ATOM 0 HE1 TYR A 218 -9.287 -7.267 -2.748 -0.14 0.02 H new ATOM 0 HE2 TYR A 218 -10.940 -5.405 0.714 -0.14 0.02 H new ATOM 0 HH TYR A 218 -11.661 -5.002 -1.334 -0.60 0.02 H new ATOM 879 N PRO A 219 -4.815 -9.332 0.171 -0.36 0.02 N ATOM 880 CA PRO A 219 -3.932 -9.653 -0.928 1.00 0.02 C ATOM 881 C PRO A 219 -4.373 -8.989 -2.228 0.48 0.02 C ATOM 882 O PRO A 219 -5.274 -9.477 -2.910 -0.48 0.02 O ATOM 883 CB PRO A 219 -4.003 -11.185 -1.043 -0.20 0.02 C ATOM 884 CG PRO A 219 -5.077 -11.615 -0.097 -0.20 0.02 C ATOM 885 CD PRO A 219 -5.178 -10.534 0.937 0.06 0.02 C ATOM 0 HA PRO A 219 -2.920 -9.291 -0.749 1.00 0.02 H new ATOM 0 HB2 PRO A 219 -4.235 -11.490 -2.063 -0.20 0.02 H new ATOM 0 HB3 PRO A 219 -3.048 -11.641 -0.784 -0.20 0.02 H new ATOM 0 HG2 PRO A 219 -6.026 -11.746 -0.618 -0.20 0.02 H new ATOM 0 HG3 PRO A 219 -4.831 -12.572 0.363 -0.20 0.02 H new ATOM 0 HD2 PRO A 219 -6.183 -10.463 1.354 0.06 0.02 H new ATOM 0 HD3 PRO A 219 -4.498 -10.705 1.772 0.06 0.02 H new ATOM 893 N GLY A 220 -3.726 -7.880 -2.572 -0.36 0.02 N ATOM 894 CA GLY A 220 -4.059 -7.178 -3.794 -0.10 0.02 C ATOM 895 C GLY A 220 -4.866 -5.915 -3.560 0.48 0.02 C ATOM 896 O GLY A 220 -4.375 -4.812 -3.779 -0.48 0.02 O ATOM 0 H GLY A 220 -2.977 -7.456 -2.025 -0.36 0.02 H new ATOM 0 HA2 GLY A 220 -3.139 -6.921 -4.319 -0.10 0.02 H new ATOM 0 HA3 GLY A 220 -4.623 -7.845 -4.446 -0.10 0.02 H new ATOM 900 N GLY A 221 -6.111 -6.083 -3.135 -0.36 0.02 N ATOM 901 CA GLY A 221 -6.977 -4.939 -2.896 -0.10 0.02 C ATOM 902 C GLY A 221 -7.138 -4.581 -1.437 0.48 0.02 C ATOM 903 O GLY A 221 -7.781 -5.300 -0.673 -0.48 0.02 O ATOM 0 H GLY A 221 -6.539 -6.990 -2.951 -0.36 0.02 H new ATOM 0 HA2 GLY A 221 -6.577 -4.076 -3.429 -0.10 0.02 H new ATOM 0 HA3 GLY A 221 -7.960 -5.147 -3.319 -0.10 0.02 H new ATOM 907 N TYR A 222 -6.529 -3.496 -1.011 -0.36 0.02 N ATOM 908 CA TYR A 222 -6.625 -3.115 0.376 1.00 0.02 C ATOM 909 C TYR A 222 -8.031 -2.641 0.743 0.48 0.02 C ATOM 910 O TYR A 222 -8.938 -2.655 -0.090 -0.48 0.02 O ATOM 911 CB TYR A 222 -5.615 -2.032 0.684 -0.20 0.02 C ATOM 912 CG TYR A 222 -5.901 -0.763 -0.057 1.00 0.02 C ATOM 913 CD1 TYR A 222 -5.442 -0.577 -1.346 -0.14 0.02 C ATOM 914 CD2 TYR A 222 -6.634 0.240 0.537 -0.14 0.02 C ATOM 915 CE1 TYR A 222 -5.705 0.592 -2.033 -0.14 0.02 C ATOM 916 CE2 TYR A 222 -6.907 1.417 -0.134 -0.14 0.02 C ATOM 917 CZ TYR A 222 -6.438 1.589 -1.420 0.20 0.02 C ATOM 918 OH TYR A 222 -6.705 2.758 -2.096 -0.60 0.02 O ATOM 0 H TYR A 222 -5.972 -2.873 -1.596 -0.36 0.02 H new ATOM 0 HA TYR A 222 -6.410 -3.998 0.977 1.00 0.02 H new ATOM 0 HB2 TYR A 222 -5.615 -1.832 1.756 -0.20 0.02 H new ATOM 0 HB3 TYR A 222 -4.617 -2.385 0.425 -0.20 0.02 H new ATOM 0 HD1 TYR A 222 -4.869 -1.357 -1.824 -0.14 0.02 H new ATOM 0 HD2 TYR A 222 -7.002 0.105 1.543 -0.14 0.02 H new ATOM 0 HE1 TYR A 222 -5.341 0.725 -3.041 -0.14 0.02 H new ATOM 0 HE2 TYR A 222 -7.483 2.196 0.344 -0.14 0.02 H new ATOM 0 HH TYR A 222 -7.232 3.354 -1.524 -0.60 0.02 H new ATOM 928 N THR A 223 -8.206 -2.224 2.000 -0.36 0.02 N ATOM 929 CA THR A 223 -9.505 -1.751 2.472 1.00 0.02 C ATOM 930 C THR A 223 -9.374 -0.904 3.734 0.48 0.02 C ATOM 931 O THR A 223 -8.455 -1.084 4.533 -0.48 0.02 O ATOM 932 CB THR A 223 -10.434 -2.950 2.700 0.18 0.02 C ATOM 933 OG1 THR A 223 -10.992 -3.383 1.474 -0.68 0.02 O ATOM 934 CG2 THR A 223 -11.581 -2.681 3.646 -0.30 0.02 C ATOM 0 H THR A 223 -7.468 -2.205 2.704 -0.36 0.02 H new ATOM 0 HA THR A 223 -9.938 -1.106 1.707 1.00 0.02 H new ATOM 0 HB THR A 223 -9.797 -3.710 3.152 0.18 0.02 H new ATOM 0 HG1 THR A 223 -10.501 -2.977 0.730 -0.68 0.02 H new ATOM 0 HG21 THR A 223 -12.186 -3.582 3.749 -0.30 0.02 H new ATOM 0 HG22 THR A 223 -11.188 -2.394 4.621 -0.30 0.02 H new ATOM 0 HG23 THR A 223 -12.197 -1.873 3.251 -0.30 0.02 H new ATOM 942 N CYS A 224 -10.310 0.029 3.891 -0.36 0.02 N ATOM 943 CA CYS A 224 -10.328 0.928 5.037 1.00 0.02 C ATOM 944 C CYS A 224 -11.655 0.826 5.785 0.48 0.02 C ATOM 945 O CYS A 224 -12.671 1.347 5.324 -0.48 0.02 O ATOM 946 CB CYS A 224 -10.115 2.374 4.578 0.20 0.02 C ATOM 947 SG CYS A 224 -9.102 2.544 3.071 -0.20 0.02 S ATOM 0 H CYS A 224 -11.072 0.181 3.230 -0.36 0.02 H new ATOM 0 HA CYS A 224 -9.520 0.636 5.708 1.00 0.02 H new ATOM 0 HB2 CYS A 224 -11.088 2.833 4.401 0.20 0.02 H new ATOM 0 HB3 CYS A 224 -9.641 2.932 5.385 0.20 0.02 H new ATOM 952 N TYR A 225 -11.649 0.175 6.948 -0.36 0.02 N ATOM 953 CA TYR A 225 -12.869 0.053 7.735 1.00 0.02 C ATOM 954 C TYR A 225 -12.895 1.087 8.851 0.48 0.02 C ATOM 955 O TYR A 225 -11.878 1.385 9.477 -0.48 0.02 O ATOM 956 CB TYR A 225 -13.085 -1.364 8.276 -0.20 0.02 C ATOM 957 CG TYR A 225 -11.904 -1.989 8.978 1.00 0.02 C ATOM 958 CD1 TYR A 225 -10.750 -2.328 8.286 -0.14 0.02 C ATOM 959 CD2 TYR A 225 -11.965 -2.277 10.333 -0.14 0.02 C ATOM 960 CE1 TYR A 225 -9.694 -2.936 8.919 -0.14 0.02 C ATOM 961 CE2 TYR A 225 -10.906 -2.883 10.981 -0.14 0.02 C ATOM 962 CZ TYR A 225 -9.772 -3.215 10.268 0.20 0.02 C ATOM 963 OH TYR A 225 -8.715 -3.823 10.905 -0.60 0.02 O ATOM 0 H TYR A 225 -10.827 -0.268 7.358 -0.36 0.02 H new ATOM 0 HA TYR A 225 -13.704 0.252 7.063 1.00 0.02 H new ATOM 0 HB2 TYR A 225 -13.926 -1.343 8.969 -0.20 0.02 H new ATOM 0 HB3 TYR A 225 -13.373 -2.009 7.446 -0.20 0.02 H new ATOM 0 HD1 TYR A 225 -10.681 -2.110 7.231 -0.14 0.02 H new ATOM 0 HD2 TYR A 225 -12.854 -2.024 10.891 -0.14 0.02 H new ATOM 0 HE1 TYR A 225 -8.805 -3.195 8.363 -0.14 0.02 H new ATOM 0 HE2 TYR A 225 -10.965 -3.095 12.038 -0.14 0.02 H new ATOM 0 HH TYR A 225 -8.932 -3.947 11.853 -0.60 0.02 H new ATOM 973 N CYS A 226 -14.064 1.677 9.029 -0.36 0.02 N ATOM 974 CA CYS A 226 -14.268 2.747 9.997 1.00 0.02 C ATOM 975 C CYS A 226 -15.196 2.332 11.136 0.48 0.02 C ATOM 976 O CYS A 226 -15.560 1.165 11.254 -0.48 0.02 O ATOM 977 CB CYS A 226 -14.848 3.934 9.250 0.20 0.02 C ATOM 978 SG CYS A 226 -14.301 4.013 7.511 -0.20 0.02 S ATOM 0 H CYS A 226 -14.903 1.428 8.505 -0.36 0.02 H new ATOM 0 HA CYS A 226 -13.313 2.999 10.458 1.00 0.02 H new ATOM 0 HB2 CYS A 226 -15.936 3.880 9.281 0.20 0.02 H new ATOM 0 HB3 CYS A 226 -14.559 4.854 9.759 0.20 0.02 H new ATOM 983 N ASP A 227 -15.544 3.306 11.981 -0.36 0.02 N ATOM 984 CA ASP A 227 -16.408 3.080 13.138 1.00 0.02 C ATOM 985 C ASP A 227 -15.739 2.182 14.176 0.48 0.02 C ATOM 986 O ASP A 227 -16.411 1.491 14.941 -0.48 0.02 O ATOM 987 CB ASP A 227 -17.772 2.510 12.713 -0.45 0.02 C ATOM 988 CG ASP A 227 -17.760 1.018 12.420 0.49 0.02 C ATOM 989 OD1 ASP A 227 -17.587 0.224 13.367 -0.62 0.02 O ATOM 990 OD2 ASP A 227 -17.935 0.646 11.240 -0.62 0.02 O ATOM 0 H ASP A 227 -15.234 4.272 11.881 -0.36 0.02 H new ATOM 0 HA ASP A 227 -16.580 4.049 13.606 1.00 0.02 H new ATOM 0 HB2 ASP A 227 -18.498 2.708 13.502 -0.45 0.02 H new ATOM 0 HB3 ASP A 227 -18.114 3.041 11.824 -0.45 0.02 H new ATOM 995 N GLY A 228 -14.411 2.211 14.210 -0.36 0.02 N ATOM 996 CA GLY A 228 -13.677 1.404 15.168 -0.10 0.02 C ATOM 997 C GLY A 228 -12.978 2.238 16.229 0.48 0.02 C ATOM 998 O GLY A 228 -12.345 1.694 17.134 -0.48 0.02 O ATOM 0 H GLY A 228 -13.830 2.778 13.592 -0.36 0.02 H new ATOM 0 HA2 GLY A 228 -14.363 0.710 15.652 -0.10 0.02 H new ATOM 0 HA3 GLY A 228 -12.937 0.804 14.639 -0.10 0.02 H new ATOM 1002 N LYS A 229 -13.090 3.561 16.123 -0.36 0.02 N ATOM 1003 CA LYS A 229 -12.461 4.461 17.084 1.00 0.02 C ATOM 1004 C LYS A 229 -13.508 5.187 17.923 0.48 0.02 C ATOM 1005 O LYS A 229 -13.592 4.991 19.136 -0.48 0.02 O ATOM 1006 CB LYS A 229 -11.578 5.479 16.358 -0.20 0.02 C ATOM 1007 CG LYS A 229 -10.898 6.470 17.289 -0.20 0.02 C ATOM 1008 CD LYS A 229 -9.637 7.044 16.664 -0.20 0.02 C ATOM 1009 CE LYS A 229 -9.881 8.427 16.081 0.30 5.02 C ATOM 1010 NZ LYS A 229 -9.248 8.585 14.742 -0.81 0.02 N ATOM 0 H LYS A 229 -13.610 4.031 15.382 -0.36 0.02 H new ATOM 0 HA LYS A 229 -11.842 3.861 17.751 1.00 0.02 H new ATOM 0 HB2 LYS A 229 -10.816 4.946 15.789 -0.20 0.02 H new ATOM 0 HB3 LYS A 229 -12.187 6.028 15.639 -0.20 0.02 H new ATOM 0 HG2 LYS A 229 -11.588 7.279 17.528 -0.20 0.02 H new ATOM 0 HG3 LYS A 229 -10.648 5.976 18.228 -0.20 0.02 H new ATOM 0 HD2 LYS A 229 -8.850 7.099 17.416 -0.20 0.02 H new ATOM 0 HD3 LYS A 229 -9.282 6.375 15.880 -0.20 0.02 H new ATOM 0 HE2 LYS A 229 -10.954 8.602 15.998 0.30 5.02 H new ATOM 0 HE3 LYS A 229 -9.486 9.182 16.761 0.30 5.02 H new ATOM 0 HZ1 LYS A 229 -9.437 9.541 14.379 -0.81 0.02 H new ATOM 0 HZ2 LYS A 229 -8.221 8.443 14.825 -0.81 0.02 H new ATOM 0 HZ3 LYS A 229 -9.643 7.881 14.086 -0.81 0.02 H new ATOM 1024 N LYS A 230 -14.302 6.028 17.269 -0.36 0.02 N ATOM 1025 CA LYS A 230 -15.343 6.788 17.953 1.00 0.02 C ATOM 1026 C LYS A 230 -16.713 6.136 17.776 0.48 0.02 C ATOM 1027 O LYS A 230 -17.737 6.721 18.130 -0.48 0.02 O ATOM 1028 CB LYS A 230 -15.377 8.225 17.430 -0.20 0.02 C ATOM 1029 CG LYS A 230 -15.543 9.267 18.524 -0.20 0.02 C ATOM 1030 CD LYS A 230 -14.300 9.362 19.393 -0.20 0.02 C ATOM 1031 CE LYS A 230 -14.325 10.605 20.268 0.30 5.02 C ATOM 1032 NZ LYS A 230 -14.155 11.849 19.468 -0.81 0.02 N ATOM 0 H LYS A 230 -14.245 6.201 16.265 -0.36 0.02 H new ATOM 0 HA LYS A 230 -15.107 6.797 19.017 1.00 0.02 H new ATOM 0 HB2 LYS A 230 -14.455 8.426 16.885 -0.20 0.02 H new ATOM 0 HB3 LYS A 230 -16.196 8.324 16.718 -0.20 0.02 H new ATOM 0 HG2 LYS A 230 -15.750 10.238 18.075 -0.20 0.02 H new ATOM 0 HG3 LYS A 230 -16.403 9.013 19.143 -0.20 0.02 H new ATOM 0 HD2 LYS A 230 -14.226 8.475 20.022 -0.20 0.02 H new ATOM 0 HD3 LYS A 230 -13.413 9.379 18.760 -0.20 0.02 H new ATOM 0 HE2 LYS A 230 -15.269 10.648 20.811 0.30 5.02 H new ATOM 0 HE3 LYS A 230 -13.532 10.541 21.013 0.30 5.02 H new ATOM 0 HZ1 LYS A 230 -13.907 12.637 20.100 -0.81 0.02 H new ATOM 0 HZ2 LYS A 230 -13.396 11.712 18.771 -0.81 0.02 H new ATOM 0 HZ3 LYS A 230 -15.043 12.068 18.974 -0.81 0.02 H new ATOM 1046 N GLY A 231 -16.729 4.924 17.229 -0.36 0.02 N ATOM 1047 CA GLY A 231 -17.980 4.222 17.023 -0.10 0.02 C ATOM 1048 C GLY A 231 -18.907 4.943 16.063 0.48 0.02 C ATOM 1049 O GLY A 231 -20.005 5.351 16.441 -0.48 0.02 O ATOM 0 H GLY A 231 -15.898 4.417 16.925 -0.36 0.02 H new ATOM 0 HA2 GLY A 231 -17.772 3.223 16.639 -0.10 0.02 H new ATOM 0 HA3 GLY A 231 -18.483 4.097 17.982 -0.10 0.02 H new ATOM 1053 N PHE A 232 -18.472 5.088 14.815 -0.36 0.02 N ATOM 1054 CA PHE A 232 -19.280 5.750 13.799 1.00 0.02 C ATOM 1055 C PHE A 232 -19.644 4.792 12.660 0.48 0.02 C ATOM 1056 O PHE A 232 -20.276 3.763 12.899 -0.48 0.02 O ATOM 1057 CB PHE A 232 -18.591 7.001 13.270 -0.16 0.02 C ATOM 1058 CG PHE A 232 -17.126 6.900 13.020 0.03 0.02 C ATOM 1059 CD1 PHE A 232 -16.217 7.089 14.046 -0.16 0.02 C ATOM 1060 CD2 PHE A 232 -16.658 6.681 11.739 -0.16 0.02 C ATOM 1061 CE1 PHE A 232 -14.861 7.048 13.800 -0.15 0.02 C ATOM 1062 CE2 PHE A 232 -15.306 6.651 11.484 -0.15 0.02 C ATOM 1063 CZ PHE A 232 -14.405 6.832 12.516 -0.15 0.02 C ATOM 0 H PHE A 232 -17.566 4.756 14.484 -0.36 0.02 H new ATOM 0 HA PHE A 232 -20.210 6.062 14.275 1.00 0.02 H new ATOM 0 HB2 PHE A 232 -19.077 7.289 12.338 -0.16 0.02 H new ATOM 0 HB3 PHE A 232 -18.760 7.810 13.981 -0.16 0.02 H new ATOM 0 HD1 PHE A 232 -16.573 7.270 15.049 -0.16 0.02 H new ATOM 0 HD2 PHE A 232 -17.359 6.532 10.931 -0.16 0.02 H new ATOM 0 HE1 PHE A 232 -14.159 7.184 14.609 -0.15 0.02 H new ATOM 0 HE2 PHE A 232 -14.949 6.486 10.478 -0.15 0.02 H new ATOM 0 HZ PHE A 232 -13.344 6.804 12.317 -0.15 0.02 H new ATOM 1073 N LYS A 233 -19.285 5.134 11.421 -0.36 0.02 N ATOM 1074 CA LYS A 233 -19.622 4.297 10.282 1.00 0.02 C ATOM 1075 C LYS A 233 -18.766 4.618 9.062 0.48 0.02 C ATOM 1076 O LYS A 233 -18.382 5.763 8.843 -0.48 0.02 O ATOM 1077 CB LYS A 233 -21.080 4.532 9.935 -0.20 0.02 C ATOM 1078 CG LYS A 233 -22.005 3.401 10.358 -0.20 0.02 C ATOM 1079 CD LYS A 233 -22.907 2.957 9.215 -0.20 0.02 C ATOM 1080 CE LYS A 233 -23.015 1.442 9.144 0.30 5.02 C ATOM 1081 NZ LYS A 233 -24.318 0.952 9.672 -0.81 0.02 N ATOM 0 H LYS A 233 -18.765 5.980 11.188 -0.36 0.02 H new ATOM 0 HA LYS A 233 -19.437 3.257 10.553 1.00 0.02 H new ATOM 0 HB2 LYS A 233 -21.412 5.456 10.409 -0.20 0.02 H new ATOM 0 HB3 LYS A 233 -21.168 4.677 8.858 -0.20 0.02 H new ATOM 0 HG2 LYS A 233 -21.411 2.555 10.703 -0.20 0.02 H new ATOM 0 HG3 LYS A 233 -22.617 3.726 11.200 -0.20 0.02 H new ATOM 0 HD2 LYS A 233 -23.900 3.387 9.346 -0.20 0.02 H new ATOM 0 HD3 LYS A 233 -22.516 3.339 8.272 -0.20 0.02 H new ATOM 0 HE2 LYS A 233 -22.898 1.118 8.110 0.30 5.02 H new ATOM 0 HE3 LYS A 233 -22.201 0.993 9.713 0.30 5.02 H new ATOM 0 HZ1 LYS A 233 -24.351 -0.085 9.606 -0.81 0.02 H new ATOM 0 HZ2 LYS A 233 -24.420 1.239 10.666 -0.81 0.02 H new ATOM 0 HZ3 LYS A 233 -25.094 1.360 9.113 -0.81 0.02 H new ATOM 1095 N LEU A 234 -18.498 3.606 8.250 -0.36 0.02 N ATOM 1096 CA LEU A 234 -17.723 3.797 7.034 1.00 0.02 C ATOM 1097 C LEU A 234 -18.642 4.322 5.933 0.48 0.02 C ATOM 1098 O LEU A 234 -19.477 3.582 5.413 -0.48 0.02 O ATOM 1099 CB LEU A 234 -17.070 2.473 6.611 -0.20 0.02 C ATOM 1100 CG LEU A 234 -16.574 2.395 5.160 -0.10 0.02 C ATOM 1101 CD1 LEU A 234 -15.907 3.695 4.728 -0.30 0.02 C ATOM 1102 CD2 LEU A 234 -15.616 1.223 4.988 -0.30 0.02 C ATOM 0 H LEU A 234 -18.805 2.647 8.411 -0.36 0.02 H new ATOM 0 HA LEU A 234 -16.930 4.523 7.213 1.00 0.02 H new ATOM 0 HB2 LEU A 234 -16.225 2.281 7.273 -0.20 0.02 H new ATOM 0 HB3 LEU A 234 -17.789 1.670 6.771 -0.20 0.02 H new ATOM 0 HG LEU A 234 -17.442 2.238 4.520 -0.10 0.02 H new ATOM 0 HD11 LEU A 234 -15.568 3.605 3.696 -0.30 0.02 H new ATOM 0 HD12 LEU A 234 -16.622 4.514 4.804 -0.30 0.02 H new ATOM 0 HD13 LEU A 234 -15.053 3.898 5.374 -0.30 0.02 H new ATOM 0 HD21 LEU A 234 -15.274 1.182 3.954 -0.30 0.02 H new ATOM 0 HD22 LEU A 234 -14.759 1.353 5.649 -0.30 0.02 H new ATOM 0 HD23 LEU A 234 -16.129 0.294 5.238 -0.30 0.02 H new ATOM 1114 N ALA A 235 -18.495 5.599 5.579 -0.36 0.02 N ATOM 1115 CA ALA A 235 -19.333 6.193 4.537 1.00 0.02 C ATOM 1116 C ALA A 235 -19.275 5.376 3.257 0.48 0.02 C ATOM 1117 O ALA A 235 -18.592 4.354 3.196 -0.48 0.02 O ATOM 1118 CB ALA A 235 -18.907 7.618 4.242 -0.30 0.02 C ATOM 0 H ALA A 235 -17.813 6.235 5.992 -0.36 0.02 H new ATOM 0 HA ALA A 235 -20.357 6.197 4.910 1.00 0.02 H new ATOM 0 HB1 ALA A 235 -19.546 8.035 3.464 -0.30 0.02 H new ATOM 0 HB2 ALA A 235 -18.997 8.219 5.147 -0.30 0.02 H new ATOM 0 HB3 ALA A 235 -17.871 7.625 3.903 -0.30 0.02 H new ATOM 1124 N GLN A 236 -19.993 5.830 2.230 -0.36 0.02 N ATOM 1125 CA GLN A 236 -20.008 5.131 0.952 1.00 0.02 C ATOM 1126 C GLN A 236 -18.597 4.764 0.531 0.48 0.02 C ATOM 1127 O GLN A 236 -18.292 3.593 0.305 -0.48 0.02 O ATOM 1128 CB GLN A 236 -20.686 5.980 -0.126 -0.20 0.02 C ATOM 1129 CG GLN A 236 -20.203 7.421 -0.167 -0.20 0.02 C ATOM 1130 CD GLN A 236 -21.313 8.399 -0.502 0.48 0.02 C ATOM 1131 OE1 GLN A 236 -21.287 9.052 -1.545 -0.48 0.02 O ATOM 1132 NE2 GLN A 236 -22.296 8.505 0.385 -0.52 0.02 N ATOM 0 H GLN A 236 -20.567 6.673 2.260 -0.36 0.02 H new ATOM 0 HA GLN A 236 -20.584 4.213 1.073 1.00 0.02 H new ATOM 0 HB2 GLN A 236 -20.513 5.521 -1.099 -0.20 0.02 H new ATOM 0 HB3 GLN A 236 -21.763 5.972 0.043 -0.20 0.02 H new ATOM 0 HG2 GLN A 236 -19.772 7.683 0.799 -0.20 0.02 H new ATOM 0 HG3 GLN A 236 -19.407 7.513 -0.906 -0.20 0.02 H new ATOM 0 HE21 GLN A 236 -22.277 7.944 1.237 -0.52 0.02 H new ATOM 0 HE22 GLN A 236 -23.070 9.147 0.214 -0.52 0.02 H new ATOM 1141 N ASP A 237 -17.728 5.762 0.457 -0.36 0.02 N ATOM 1142 CA ASP A 237 -16.342 5.512 0.097 1.00 0.02 C ATOM 1143 C ASP A 237 -15.724 4.578 1.127 0.48 0.02 C ATOM 1144 O ASP A 237 -15.379 4.999 2.230 -0.48 0.02 O ATOM 1145 CB ASP A 237 -15.538 6.817 0.021 -0.45 0.02 C ATOM 1146 CG ASP A 237 -16.341 7.969 -0.554 0.49 0.02 C ATOM 1147 OD1 ASP A 237 -16.628 7.944 -1.769 -0.62 0.02 O ATOM 1148 OD2 ASP A 237 -16.682 8.896 0.211 -0.62 0.02 O ATOM 0 H ASP A 237 -17.955 6.740 0.639 -0.36 0.02 H new ATOM 0 HA ASP A 237 -16.316 5.051 -0.890 1.00 0.02 H new ATOM 0 HB2 ASP A 237 -15.192 7.084 1.020 -0.45 0.02 H new ATOM 0 HB3 ASP A 237 -14.651 6.657 -0.592 -0.45 0.02 H new ATOM 1153 N GLN A 238 -15.578 3.311 0.759 -0.36 0.02 N ATOM 1154 CA GLN A 238 -14.992 2.317 1.654 1.00 0.02 C ATOM 1155 C GLN A 238 -13.580 2.720 2.077 0.48 0.02 C ATOM 1156 O GLN A 238 -13.005 2.131 2.992 -0.48 0.02 O ATOM 1157 CB GLN A 238 -14.958 0.947 0.975 -0.20 0.02 C ATOM 1158 CG GLN A 238 -16.227 0.135 1.179 -0.20 0.02 C ATOM 1159 CD GLN A 238 -16.151 -1.236 0.537 0.48 0.02 C ATOM 1160 OE1 GLN A 238 -15.207 -1.992 0.769 -0.48 0.02 O ATOM 1161 NE2 GLN A 238 -17.148 -1.564 -0.277 -0.52 0.02 N ATOM 0 H GLN A 238 -15.857 2.946 -0.152 -0.36 0.02 H new ATOM 0 HA GLN A 238 -15.615 2.261 2.546 1.00 0.02 H new ATOM 0 HB2 GLN A 238 -14.792 1.084 -0.094 -0.20 0.02 H new ATOM 0 HB3 GLN A 238 -14.109 0.381 1.359 -0.20 0.02 H new ATOM 0 HG2 GLN A 238 -16.414 0.022 2.247 -0.20 0.02 H new ATOM 0 HG3 GLN A 238 -17.074 0.681 0.763 -0.20 0.02 H new ATOM 0 HE21 GLN A 238 -17.910 -0.906 -0.440 -0.52 0.02 H new ATOM 0 HE22 GLN A 238 -17.151 -2.474 -0.739 -0.52 0.02 H new ATOM 1170 N LYS A 239 -13.027 3.726 1.406 -0.36 0.02 N ATOM 1171 CA LYS A 239 -11.689 4.200 1.718 1.00 0.02 C ATOM 1172 C LYS A 239 -11.728 5.303 2.778 0.48 0.02 C ATOM 1173 O LYS A 239 -10.817 5.418 3.598 -0.48 0.02 O ATOM 1174 CB LYS A 239 -10.996 4.710 0.452 -0.20 0.02 C ATOM 1175 CG LYS A 239 -11.638 5.957 -0.134 -0.20 0.02 C ATOM 1176 CD LYS A 239 -10.883 7.213 0.268 -0.20 0.02 C ATOM 1177 CE LYS A 239 -10.976 8.286 -0.804 0.30 5.02 C ATOM 1178 NZ LYS A 239 -9.774 8.298 -1.683 -0.81 0.02 N ATOM 0 H LYS A 239 -13.486 4.226 0.645 -0.36 0.02 H new ATOM 0 HA LYS A 239 -11.121 3.361 2.120 1.00 0.02 H new ATOM 0 HB2 LYS A 239 -9.952 4.923 0.680 -0.20 0.02 H new ATOM 0 HB3 LYS A 239 -11.004 3.920 -0.299 -0.20 0.02 H new ATOM 0 HG2 LYS A 239 -11.663 5.878 -1.221 -0.20 0.02 H new ATOM 0 HG3 LYS A 239 -12.672 6.029 0.204 -0.20 0.02 H new ATOM 0 HD2 LYS A 239 -11.287 7.597 1.205 -0.20 0.02 H new ATOM 0 HD3 LYS A 239 -9.836 6.968 0.449 -0.20 0.02 H new ATOM 0 HE2 LYS A 239 -11.867 8.118 -1.409 0.30 5.02 H new ATOM 0 HE3 LYS A 239 -11.090 9.262 -0.332 0.30 5.02 H new ATOM 0 HZ1 LYS A 239 -9.876 9.044 -2.401 -0.81 0.02 H new ATOM 0 HZ2 LYS A 239 -8.926 8.483 -1.110 -0.81 0.02 H new ATOM 0 HZ3 LYS A 239 -9.679 7.375 -2.153 -0.81 0.02 H new ATOM 1192 N SER A 240 -12.787 6.112 2.754 -0.36 0.02 N ATOM 1193 CA SER A 240 -12.941 7.205 3.715 1.00 0.02 C ATOM 1194 C SER A 240 -13.677 6.733 4.965 0.48 0.02 C ATOM 1195 O SER A 240 -14.072 5.573 5.058 -0.48 0.02 O ATOM 1196 CB SER A 240 -13.696 8.372 3.075 0.08 0.02 C ATOM 1197 OG SER A 240 -13.173 8.677 1.794 -0.68 0.02 O ATOM 0 H SER A 240 -13.550 6.032 2.081 -0.36 0.02 H new ATOM 0 HA SER A 240 -11.946 7.541 4.007 1.00 0.02 H new ATOM 0 HB2 SER A 240 -14.753 8.122 2.989 0.08 0.02 H new ATOM 0 HB3 SER A 240 -13.627 9.250 3.718 0.08 0.02 H new ATOM 0 HG SER A 240 -13.674 9.425 1.406 -0.68 0.02 H new ATOM 1203 N CYS A 241 -13.845 7.633 5.932 -0.36 0.02 N ATOM 1204 CA CYS A 241 -14.522 7.294 7.182 1.00 0.02 C ATOM 1205 C CYS A 241 -15.281 8.493 7.742 0.48 0.02 C ATOM 1206 O CYS A 241 -14.721 9.580 7.889 -0.48 0.02 O ATOM 1207 CB CYS A 241 -13.493 6.763 8.183 0.20 0.02 C ATOM 1208 SG CYS A 241 -12.703 5.247 7.600 -0.20 0.02 S ATOM 0 H CYS A 241 -13.523 8.599 5.874 -0.36 0.02 H new ATOM 0 HA CYS A 241 -15.261 6.516 6.990 1.00 0.02 H new ATOM 0 HB2 CYS A 241 -12.732 7.524 8.359 0.20 0.02 H new ATOM 0 HB3 CYS A 241 -13.981 6.573 9.139 0.20 0.02 H new ATOM 1213 N GLU A 242 -16.572 8.298 8.031 -0.36 0.02 N ATOM 1214 CA GLU A 242 -17.402 9.384 8.545 1.00 0.02 C ATOM 1215 C GLU A 242 -18.317 8.944 9.693 0.48 0.02 C ATOM 1216 O GLU A 242 -18.830 7.827 9.710 -0.48 0.02 O ATOM 1217 CB GLU A 242 -18.246 9.972 7.413 -0.20 0.02 C ATOM 1218 CG GLU A 242 -18.993 11.237 7.805 -0.45 0.02 C ATOM 1219 CD GLU A 242 -18.175 12.492 7.576 0.49 0.02 C ATOM 1220 OE1 GLU A 242 -17.119 12.639 8.228 -0.62 0.02 O ATOM 1221 OE2 GLU A 242 -18.589 13.328 6.746 -0.62 0.02 O ATOM 0 H GLU A 242 -17.057 7.408 7.918 -0.36 0.02 H new ATOM 0 HA GLU A 242 -16.725 10.138 8.945 1.00 0.02 H new ATOM 0 HB2 GLU A 242 -17.598 10.191 6.564 -0.20 0.02 H new ATOM 0 HB3 GLU A 242 -18.965 9.223 7.081 -0.20 0.02 H new ATOM 0 HG2 GLU A 242 -19.918 11.301 7.231 -0.45 0.02 H new ATOM 0 HG3 GLU A 242 -19.274 11.178 8.857 -0.45 0.02 H new ATOM 1228 N VAL A 243 -18.527 9.854 10.643 -0.36 0.02 N ATOM 1229 CA VAL A 243 -19.391 9.598 11.796 1.00 0.02 C ATOM 1230 C VAL A 243 -20.754 10.258 11.607 0.48 0.02 C ATOM 1231 O VAL A 243 -20.850 11.376 11.102 -0.48 0.02 O ATOM 1232 CB VAL A 243 -18.751 10.123 13.099 -0.10 0.02 C ATOM 1233 CG1 VAL A 243 -18.282 11.558 12.921 -0.30 0.02 C ATOM 1234 CG2 VAL A 243 -19.725 10.015 14.267 -0.30 0.02 C ATOM 0 H VAL A 243 -18.107 10.783 10.637 -0.36 0.02 H new ATOM 0 HA VAL A 243 -19.519 8.518 11.873 1.00 0.02 H new ATOM 0 HB VAL A 243 -17.884 9.503 13.326 -0.10 0.02 H new ATOM 0 HG11 VAL A 243 -17.833 11.912 13.849 -0.30 0.02 H new ATOM 0 HG12 VAL A 243 -17.543 11.603 12.121 -0.30 0.02 H new ATOM 0 HG13 VAL A 243 -19.133 12.190 12.665 -0.30 0.02 H new ATOM 0 HG21 VAL A 243 -19.250 10.391 15.173 -0.30 0.02 H new ATOM 0 HG22 VAL A 243 -20.616 10.605 14.053 -0.30 0.02 H new ATOM 0 HG23 VAL A 243 -20.006 8.972 14.411 -0.30 0.02 H new