USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 134 MET CE :methyl -119:sc= -0.287 (180deg=-2.79!) USER MOD Single : A 135 SER OG : rot 180:sc= 0.0633 USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 143 SER OG : rot 147:sc= 0.442 USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 150:sc= -1.58! USER MOD Single : A 153 ASN :FLIP amide:sc= -0.0138 F(o=-1.5,f=-0.014) USER MOD Single : A 154 MET CE :methyl -164:sc= -0.083 (180deg=-0.614) USER MOD Single : A 155 HIS :FLIP no HD1:sc= -0.0862 F(o=-1.4,f=-0.086) USER MOD Single : A 157 TYR OH : rot 120:sc= -0.854 USER MOD Single : A 159 ASN : amide:sc=-0.00598 K(o=-0.006,f=-2.3) USER MOD Single : A 160 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.57) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 177 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 178 ASN : amide:sc= -0.0818 X(o=-0.082,f=-0.53) USER MOD Single : A 179 CYS SG : rot 74:sc= 0.324 USER MOD Single : A 181 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 183 THR OG1 : rot -120:sc= -0.457 USER MOD Single : A 185 LYS NZ :NH3+ 142:sc= -0.0778 (180deg=-1.24) USER MOD Single : A 186 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.013) USER MOD Single : A 187 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 188 THR OG1 : rot -96:sc= 1.24 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot 59:sc= 0.187 USER MOD Single : A 192 THR OG1 : rot 91:sc= 0.0296 USER MOD Single : A 193 THR OG1 : rot 84:sc= 0.0165 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 ASN : amide:sc= -0.0487 K(o=-0.049,f=-2) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.0673 USER MOD Single : A 201 THR OG1 : rot 180:sc= 0 USER MOD Single : A 204 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 205 MET CE :methyl -157:sc= 0 (180deg=-0.178) USER MOD Single : A 206 MET CE :methyl 140:sc= -0.128 (180deg=-1.55!) USER MOD Single : A 212 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.8) USER MOD Single : A 213 MET CE :methyl -137:sc= -1.71 (180deg=-4.53!) USER MOD Single : A 214 CYS SG : rot 170:sc= -0.154 USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 217 GLN : amide:sc= -0.0415 K(o=-0.041,f=-1.4) USER MOD Single : A 218 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N ALA A 133 11.919 -10.102 -15.016 1.00 0.00 N ATOM 109 CA ALA A 133 13.198 -9.481 -15.337 1.00 0.00 C ATOM 110 C ALA A 133 13.765 -10.036 -16.640 1.00 0.00 C ATOM 111 O ALA A 133 13.369 -11.109 -17.093 1.00 0.00 O ATOM 112 CB ALA A 133 14.186 -9.689 -14.199 1.00 0.00 C ATOM 0 HA ALA A 133 13.032 -8.412 -15.469 1.00 0.00 H new ATOM 0 HB1 ALA A 133 15.137 -9.220 -14.452 1.00 0.00 H new ATOM 0 HB2 ALA A 133 13.791 -9.240 -13.288 1.00 0.00 H new ATOM 0 HB3 ALA A 133 14.339 -10.757 -14.040 1.00 0.00 H new ATOM 118 N MET A 134 14.694 -9.296 -17.238 1.00 0.00 N ATOM 119 CA MET A 134 15.315 -9.715 -18.489 1.00 0.00 C ATOM 120 C MET A 134 16.677 -10.354 -18.232 1.00 0.00 C ATOM 121 O MET A 134 17.441 -9.889 -17.386 1.00 0.00 O ATOM 122 CB MET A 134 15.468 -8.521 -19.432 1.00 0.00 C ATOM 123 CG MET A 134 14.225 -7.650 -19.516 1.00 0.00 C ATOM 124 SD MET A 134 14.354 -6.158 -18.511 1.00 0.00 S ATOM 125 CE MET A 134 12.703 -5.486 -18.691 1.00 0.00 C ATOM 0 H MET A 134 15.033 -8.404 -16.877 1.00 0.00 H new ATOM 0 HA MET A 134 14.668 -10.457 -18.957 1.00 0.00 H new ATOM 0 HB2 MET A 134 16.308 -7.911 -19.099 1.00 0.00 H new ATOM 0 HB3 MET A 134 15.715 -8.885 -20.429 1.00 0.00 H new ATOM 0 HG2 MET A 134 14.052 -7.370 -20.555 1.00 0.00 H new ATOM 0 HG3 MET A 134 13.359 -8.227 -19.193 1.00 0.00 H new ATOM 0 HE1 MET A 134 12.759 -4.502 -19.158 1.00 0.00 H new ATOM 0 HE2 MET A 134 12.106 -6.150 -19.316 1.00 0.00 H new ATOM 0 HE3 MET A 134 12.238 -5.396 -17.709 1.00 0.00 H new ATOM 135 N SER A 135 16.973 -11.420 -18.968 1.00 0.00 N ATOM 136 CA SER A 135 18.241 -12.124 -18.817 1.00 0.00 C ATOM 137 C SER A 135 19.300 -11.543 -19.749 1.00 0.00 C ATOM 138 O SER A 135 19.287 -11.796 -20.954 1.00 0.00 O ATOM 139 CB SER A 135 18.058 -13.616 -19.102 1.00 0.00 C ATOM 140 OG SER A 135 16.746 -13.890 -19.563 1.00 0.00 O ATOM 0 H SER A 135 16.352 -11.815 -19.675 1.00 0.00 H new ATOM 0 HA SER A 135 18.578 -11.997 -17.788 1.00 0.00 H new ATOM 0 HB2 SER A 135 18.784 -13.939 -19.848 1.00 0.00 H new ATOM 0 HB3 SER A 135 18.256 -14.189 -18.196 1.00 0.00 H new ATOM 0 HG SER A 135 16.655 -14.850 -19.740 1.00 0.00 H new ATOM 146 N ARG A 136 20.215 -10.764 -19.183 1.00 0.00 N ATOM 147 CA ARG A 136 21.280 -10.145 -19.962 1.00 0.00 C ATOM 148 C ARG A 136 20.710 -9.393 -21.161 1.00 0.00 C ATOM 149 O ARG A 136 20.899 -9.780 -22.315 1.00 0.00 O ATOM 150 CB ARG A 136 22.275 -11.206 -20.438 1.00 0.00 C ATOM 151 CG ARG A 136 23.679 -10.667 -20.662 1.00 0.00 C ATOM 152 CD ARG A 136 24.691 -11.359 -19.763 1.00 0.00 C ATOM 153 NE ARG A 136 24.787 -12.789 -20.045 1.00 0.00 N ATOM 154 CZ ARG A 136 25.588 -13.617 -19.384 1.00 0.00 C ATOM 155 NH1 ARG A 136 26.359 -13.159 -18.406 1.00 0.00 N ATOM 156 NH2 ARG A 136 25.620 -14.905 -19.699 1.00 0.00 N ATOM 0 H ARG A 136 20.240 -10.546 -18.187 1.00 0.00 H new ATOM 0 HA ARG A 136 21.798 -9.432 -19.321 1.00 0.00 H new ATOM 0 HB2 ARG A 136 22.316 -12.009 -19.702 1.00 0.00 H new ATOM 0 HB3 ARG A 136 21.910 -11.643 -21.367 1.00 0.00 H new ATOM 0 HG2 ARG A 136 23.962 -10.807 -21.705 1.00 0.00 H new ATOM 0 HG3 ARG A 136 23.693 -9.594 -20.469 1.00 0.00 H new ATOM 0 HD2 ARG A 136 25.669 -10.897 -19.896 1.00 0.00 H new ATOM 0 HD3 ARG A 136 24.409 -11.213 -18.720 1.00 0.00 H new ATOM 0 HE ARG A 136 24.207 -13.173 -20.791 1.00 0.00 H new ATOM 0 HH11 ARG A 136 26.337 -12.169 -18.160 1.00 0.00 H new ATOM 0 HH12 ARG A 136 26.973 -13.797 -17.900 1.00 0.00 H new ATOM 0 HH21 ARG A 136 25.029 -15.261 -20.450 1.00 0.00 H new ATOM 0 HH22 ARG A 136 26.236 -15.539 -19.190 1.00 0.00 H new ATOM 170 N PRO A 137 19.995 -8.293 -20.884 1.00 0.00 N ATOM 171 CA PRO A 137 19.383 -7.463 -21.927 1.00 0.00 C ATOM 172 C PRO A 137 20.420 -6.702 -22.745 1.00 0.00 C ATOM 173 O PRO A 137 20.639 -5.509 -22.532 1.00 0.00 O ATOM 174 CB PRO A 137 18.506 -6.489 -21.135 1.00 0.00 C ATOM 175 CG PRO A 137 19.143 -6.413 -19.791 1.00 0.00 C ATOM 176 CD PRO A 137 19.730 -7.773 -19.532 1.00 0.00 C ATOM 0 HA PRO A 137 18.832 -8.061 -22.653 1.00 0.00 H new ATOM 0 HB2 PRO A 137 18.471 -5.510 -21.612 1.00 0.00 H new ATOM 0 HB3 PRO A 137 17.479 -6.847 -21.067 1.00 0.00 H new ATOM 0 HG2 PRO A 137 19.915 -5.644 -19.768 1.00 0.00 H new ATOM 0 HG3 PRO A 137 18.411 -6.152 -19.027 1.00 0.00 H new ATOM 0 HD2 PRO A 137 20.643 -7.711 -18.939 1.00 0.00 H new ATOM 0 HD3 PRO A 137 19.037 -8.412 -18.984 1.00 0.00 H new ATOM 184 N ILE A 138 21.055 -7.399 -23.682 1.00 0.00 N ATOM 185 CA ILE A 138 22.067 -6.787 -24.533 1.00 0.00 C ATOM 186 C ILE A 138 21.447 -5.763 -25.477 1.00 0.00 C ATOM 187 O ILE A 138 20.385 -6.000 -26.055 1.00 0.00 O ATOM 188 CB ILE A 138 22.818 -7.845 -25.364 1.00 0.00 C ATOM 189 CG1 ILE A 138 24.022 -7.213 -26.066 1.00 0.00 C ATOM 190 CG2 ILE A 138 21.882 -8.484 -26.379 1.00 0.00 C ATOM 191 CD1 ILE A 138 25.351 -7.761 -25.596 1.00 0.00 C ATOM 0 H ILE A 138 20.886 -8.387 -23.870 1.00 0.00 H new ATOM 0 HA ILE A 138 22.774 -6.286 -23.871 1.00 0.00 H new ATOM 0 HB ILE A 138 23.180 -8.623 -24.692 1.00 0.00 H new ATOM 0 HG12 ILE A 138 23.931 -7.373 -27.140 1.00 0.00 H new ATOM 0 HG13 ILE A 138 24.004 -6.136 -25.902 1.00 0.00 H new ATOM 0 HG21 ILE A 138 22.427 -9.229 -26.958 1.00 0.00 H new ATOM 0 HG22 ILE A 138 21.054 -8.964 -25.858 1.00 0.00 H new ATOM 0 HG23 ILE A 138 21.493 -7.717 -27.049 1.00 0.00 H new ATOM 0 HD11 ILE A 138 26.159 -7.268 -26.136 1.00 0.00 H new ATOM 0 HD12 ILE A 138 25.463 -7.577 -24.528 1.00 0.00 H new ATOM 0 HD13 ILE A 138 25.390 -8.834 -25.785 1.00 0.00 H new ATOM 203 N ILE A 139 22.116 -4.625 -25.629 1.00 0.00 N ATOM 204 CA ILE A 139 21.631 -3.565 -26.505 1.00 0.00 C ATOM 205 C ILE A 139 22.465 -3.481 -27.779 1.00 0.00 C ATOM 206 O ILE A 139 23.652 -3.808 -27.779 1.00 0.00 O ATOM 207 CB ILE A 139 21.652 -2.197 -25.799 1.00 0.00 C ATOM 208 CG1 ILE A 139 20.927 -1.150 -26.646 1.00 0.00 C ATOM 209 CG2 ILE A 139 23.085 -1.765 -25.524 1.00 0.00 C ATOM 210 CD1 ILE A 139 20.468 0.055 -25.856 1.00 0.00 C ATOM 0 H ILE A 139 22.995 -4.413 -25.157 1.00 0.00 H new ATOM 0 HA ILE A 139 20.602 -3.815 -26.763 1.00 0.00 H new ATOM 0 HB ILE A 139 21.132 -2.289 -24.846 1.00 0.00 H new ATOM 0 HG12 ILE A 139 21.590 -0.819 -27.445 1.00 0.00 H new ATOM 0 HG13 ILE A 139 20.062 -1.614 -27.121 1.00 0.00 H new ATOM 0 HG21 ILE A 139 23.083 -0.796 -25.025 1.00 0.00 H new ATOM 0 HG22 ILE A 139 23.571 -2.502 -24.885 1.00 0.00 H new ATOM 0 HG23 ILE A 139 23.629 -1.687 -26.466 1.00 0.00 H new ATOM 0 HD11 ILE A 139 19.962 0.755 -26.521 1.00 0.00 H new ATOM 0 HD12 ILE A 139 19.780 -0.264 -25.073 1.00 0.00 H new ATOM 0 HD13 ILE A 139 21.331 0.544 -25.403 1.00 0.00 H new ATOM 222 N HIS A 140 21.837 -3.037 -28.863 1.00 0.00 N ATOM 223 CA HIS A 140 22.522 -2.907 -30.144 1.00 0.00 C ATOM 224 C HIS A 140 23.808 -2.099 -29.993 1.00 0.00 C ATOM 225 O HIS A 140 23.771 -0.893 -29.751 1.00 0.00 O ATOM 226 CB HIS A 140 21.606 -2.240 -31.171 1.00 0.00 C ATOM 227 CG HIS A 140 20.853 -3.214 -32.023 1.00 0.00 C ATOM 228 ND1 HIS A 140 21.473 -4.132 -32.844 1.00 0.00 N ATOM 229 CD2 HIS A 140 19.523 -3.412 -32.178 1.00 0.00 C ATOM 230 CE1 HIS A 140 20.557 -4.851 -33.468 1.00 0.00 C ATOM 231 NE2 HIS A 140 19.365 -4.434 -33.081 1.00 0.00 N ATOM 0 H HIS A 140 20.855 -2.761 -28.880 1.00 0.00 H new ATOM 0 HA HIS A 140 22.780 -3.907 -30.493 1.00 0.00 H new ATOM 0 HB2 HIS A 140 20.894 -1.600 -30.649 1.00 0.00 H new ATOM 0 HB3 HIS A 140 22.204 -1.594 -31.814 1.00 0.00 H new ATOM 0 HD2 HIS A 140 18.733 -2.867 -31.683 1.00 0.00 H new ATOM 0 HE1 HIS A 140 20.750 -5.645 -34.174 1.00 0.00 H new ATOM 0 HE2 HIS A 140 18.472 -4.810 -33.401 1.00 0.00 H new ATOM 239 N PHE A 141 24.944 -2.774 -30.135 1.00 0.00 N ATOM 240 CA PHE A 141 26.242 -2.120 -30.012 1.00 0.00 C ATOM 241 C PHE A 141 26.329 -0.907 -30.935 1.00 0.00 C ATOM 242 O PHE A 141 26.336 0.235 -30.478 1.00 0.00 O ATOM 243 CB PHE A 141 27.366 -3.105 -30.338 1.00 0.00 C ATOM 244 CG PHE A 141 27.299 -4.376 -29.540 1.00 0.00 C ATOM 245 CD1 PHE A 141 27.495 -4.359 -28.169 1.00 0.00 C ATOM 246 CD2 PHE A 141 27.041 -5.587 -30.162 1.00 0.00 C ATOM 247 CE1 PHE A 141 27.435 -5.527 -27.432 1.00 0.00 C ATOM 248 CE2 PHE A 141 26.979 -6.758 -29.430 1.00 0.00 C ATOM 249 CZ PHE A 141 27.176 -6.728 -28.064 1.00 0.00 C ATOM 0 H PHE A 141 24.992 -3.773 -30.335 1.00 0.00 H new ATOM 0 HA PHE A 141 26.354 -1.780 -28.982 1.00 0.00 H new ATOM 0 HB2 PHE A 141 27.328 -3.349 -31.400 1.00 0.00 H new ATOM 0 HB3 PHE A 141 28.326 -2.622 -30.157 1.00 0.00 H new ATOM 0 HD1 PHE A 141 27.697 -3.423 -27.670 1.00 0.00 H new ATOM 0 HD2 PHE A 141 26.887 -5.616 -31.231 1.00 0.00 H new ATOM 0 HE1 PHE A 141 27.590 -5.501 -26.364 1.00 0.00 H new ATOM 0 HE2 PHE A 141 26.777 -7.696 -29.926 1.00 0.00 H new ATOM 0 HZ PHE A 141 27.128 -7.642 -27.490 1.00 0.00 H new ATOM 259 N GLY A 142 26.396 -1.166 -32.237 1.00 0.00 N ATOM 260 CA GLY A 142 26.483 -0.087 -33.204 1.00 0.00 C ATOM 261 C GLY A 142 27.915 0.269 -33.548 1.00 0.00 C ATOM 262 O GLY A 142 28.178 0.886 -34.581 1.00 0.00 O ATOM 0 H GLY A 142 26.392 -2.103 -32.640 1.00 0.00 H new ATOM 0 HA2 GLY A 142 25.955 -0.375 -34.113 1.00 0.00 H new ATOM 0 HA3 GLY A 142 25.978 0.794 -32.807 1.00 0.00 H new ATOM 266 N SER A 143 28.844 -0.118 -32.680 1.00 0.00 N ATOM 267 CA SER A 143 30.258 0.170 -32.894 1.00 0.00 C ATOM 268 C SER A 143 31.135 -0.829 -32.145 1.00 0.00 C ATOM 269 O SER A 143 31.005 -0.998 -30.933 1.00 0.00 O ATOM 270 CB SER A 143 30.585 1.594 -32.440 1.00 0.00 C ATOM 271 OG SER A 143 31.216 1.593 -31.172 1.00 0.00 O ATOM 0 H SER A 143 28.643 -0.632 -31.822 1.00 0.00 H new ATOM 0 HA SER A 143 30.464 0.080 -33.961 1.00 0.00 H new ATOM 0 HB2 SER A 143 31.235 2.072 -33.173 1.00 0.00 H new ATOM 0 HB3 SER A 143 29.669 2.183 -32.393 1.00 0.00 H new ATOM 0 HG SER A 143 31.857 2.333 -31.125 1.00 0.00 H new ATOM 277 N ASP A 144 32.028 -1.487 -32.876 1.00 0.00 N ATOM 278 CA ASP A 144 32.928 -2.468 -32.282 1.00 0.00 C ATOM 279 C ASP A 144 33.825 -1.819 -31.233 1.00 0.00 C ATOM 280 O ASP A 144 34.279 -2.476 -30.297 1.00 0.00 O ATOM 281 CB ASP A 144 33.784 -3.128 -33.365 1.00 0.00 C ATOM 282 CG ASP A 144 33.770 -4.641 -33.273 1.00 0.00 C ATOM 283 OD1 ASP A 144 34.181 -5.175 -32.222 1.00 0.00 O ATOM 284 OD2 ASP A 144 33.346 -5.290 -34.252 1.00 0.00 O ATOM 0 H ASP A 144 32.148 -1.359 -33.881 1.00 0.00 H new ATOM 0 HA ASP A 144 32.322 -3.231 -31.793 1.00 0.00 H new ATOM 0 HB2 ASP A 144 33.421 -2.823 -34.347 1.00 0.00 H new ATOM 0 HB3 ASP A 144 34.810 -2.771 -33.280 1.00 0.00 H new ATOM 289 N TYR A 145 34.076 -0.525 -31.397 1.00 0.00 N ATOM 290 CA TYR A 145 34.921 0.213 -30.466 1.00 0.00 C ATOM 291 C TYR A 145 34.254 0.330 -29.099 1.00 0.00 C ATOM 292 O TYR A 145 34.846 -0.015 -28.077 1.00 0.00 O ATOM 293 CB TYR A 145 35.227 1.607 -31.017 1.00 0.00 C ATOM 294 CG TYR A 145 35.813 1.592 -32.411 1.00 0.00 C ATOM 295 CD1 TYR A 145 37.164 1.340 -32.615 1.00 0.00 C ATOM 296 CD2 TYR A 145 35.016 1.831 -33.524 1.00 0.00 C ATOM 297 CE1 TYR A 145 37.704 1.326 -33.887 1.00 0.00 C ATOM 298 CE2 TYR A 145 35.547 1.818 -34.799 1.00 0.00 C ATOM 299 CZ TYR A 145 36.891 1.565 -34.975 1.00 0.00 C ATOM 300 OH TYR A 145 37.424 1.552 -36.244 1.00 0.00 O ATOM 0 H TYR A 145 33.706 0.034 -32.166 1.00 0.00 H new ATOM 0 HA TYR A 145 35.854 -0.337 -30.349 1.00 0.00 H new ATOM 0 HB2 TYR A 145 34.309 2.195 -31.024 1.00 0.00 H new ATOM 0 HB3 TYR A 145 35.923 2.110 -30.345 1.00 0.00 H new ATOM 0 HD1 TYR A 145 37.803 1.152 -31.765 1.00 0.00 H new ATOM 0 HD2 TYR A 145 33.963 2.030 -33.390 1.00 0.00 H new ATOM 0 HE1 TYR A 145 38.756 1.129 -34.028 1.00 0.00 H new ATOM 0 HE2 TYR A 145 34.913 2.005 -35.653 1.00 0.00 H new ATOM 0 HH TYR A 145 36.718 1.737 -36.897 1.00 0.00 H new ATOM 310 N GLU A 146 33.017 0.817 -29.091 1.00 0.00 N ATOM 311 CA GLU A 146 32.269 0.980 -27.850 1.00 0.00 C ATOM 312 C GLU A 146 31.839 -0.375 -27.293 1.00 0.00 C ATOM 313 O GLU A 146 31.707 -0.546 -26.081 1.00 0.00 O ATOM 314 CB GLU A 146 31.040 1.862 -28.081 1.00 0.00 C ATOM 315 CG GLU A 146 31.379 3.316 -28.360 1.00 0.00 C ATOM 316 CD GLU A 146 30.516 4.279 -27.566 1.00 0.00 C ATOM 317 OE1 GLU A 146 29.322 3.976 -27.362 1.00 0.00 O ATOM 318 OE2 GLU A 146 31.037 5.335 -27.149 1.00 0.00 O ATOM 0 H GLU A 146 32.512 1.105 -29.929 1.00 0.00 H new ATOM 0 HA GLU A 146 32.922 1.463 -27.123 1.00 0.00 H new ATOM 0 HB2 GLU A 146 30.469 1.463 -28.920 1.00 0.00 H new ATOM 0 HB3 GLU A 146 30.396 1.810 -27.204 1.00 0.00 H new ATOM 0 HG2 GLU A 146 32.428 3.493 -28.122 1.00 0.00 H new ATOM 0 HG3 GLU A 146 31.256 3.516 -29.424 1.00 0.00 H new ATOM 325 N ASP A 147 31.621 -1.333 -28.187 1.00 0.00 N ATOM 326 CA ASP A 147 31.207 -2.672 -27.786 1.00 0.00 C ATOM 327 C ASP A 147 32.212 -3.285 -26.816 1.00 0.00 C ATOM 328 O ASP A 147 31.838 -4.018 -25.900 1.00 0.00 O ATOM 329 CB ASP A 147 31.052 -3.570 -29.015 1.00 0.00 C ATOM 330 CG ASP A 147 31.011 -5.042 -28.654 1.00 0.00 C ATOM 331 OD1 ASP A 147 30.359 -5.389 -27.647 1.00 0.00 O ATOM 332 OD2 ASP A 147 31.630 -5.848 -29.380 1.00 0.00 O ATOM 0 H ASP A 147 31.724 -1.207 -29.194 1.00 0.00 H new ATOM 0 HA ASP A 147 30.245 -2.592 -27.280 1.00 0.00 H new ATOM 0 HB2 ASP A 147 30.137 -3.303 -29.544 1.00 0.00 H new ATOM 0 HB3 ASP A 147 31.880 -3.390 -29.700 1.00 0.00 H new ATOM 337 N ARG A 148 33.488 -2.980 -27.024 1.00 0.00 N ATOM 338 CA ARG A 148 34.547 -3.503 -26.169 1.00 0.00 C ATOM 339 C ARG A 148 34.340 -3.070 -24.720 1.00 0.00 C ATOM 340 O ARG A 148 34.368 -3.893 -23.805 1.00 0.00 O ATOM 341 CB ARG A 148 35.914 -3.026 -26.664 1.00 0.00 C ATOM 342 CG ARG A 148 36.380 -3.725 -27.931 1.00 0.00 C ATOM 343 CD ARG A 148 37.208 -2.797 -28.807 1.00 0.00 C ATOM 344 NE ARG A 148 38.500 -2.483 -28.204 1.00 0.00 N ATOM 345 CZ ARG A 148 39.489 -3.362 -28.087 1.00 0.00 C ATOM 346 NH1 ARG A 148 39.334 -4.602 -28.530 1.00 0.00 N ATOM 347 NH2 ARG A 148 40.637 -3.001 -27.527 1.00 0.00 N ATOM 0 H ARG A 148 33.814 -2.374 -27.777 1.00 0.00 H new ATOM 0 HA ARG A 148 34.511 -4.591 -26.214 1.00 0.00 H new ATOM 0 HB2 ARG A 148 35.871 -1.952 -26.846 1.00 0.00 H new ATOM 0 HB3 ARG A 148 36.652 -3.186 -25.878 1.00 0.00 H new ATOM 0 HG2 ARG A 148 36.971 -4.602 -27.668 1.00 0.00 H new ATOM 0 HG3 ARG A 148 35.515 -4.080 -28.491 1.00 0.00 H new ATOM 0 HD2 ARG A 148 37.366 -3.262 -29.780 1.00 0.00 H new ATOM 0 HD3 ARG A 148 36.655 -1.874 -28.981 1.00 0.00 H new ATOM 0 HE ARG A 148 38.651 -1.537 -27.853 1.00 0.00 H new ATOM 0 HH11 ARG A 148 38.454 -4.883 -28.962 1.00 0.00 H new ATOM 0 HH12 ARG A 148 40.095 -5.275 -28.439 1.00 0.00 H new ATOM 0 HH21 ARG A 148 40.760 -2.048 -27.186 1.00 0.00 H new ATOM 0 HH22 ARG A 148 41.396 -3.677 -27.438 1.00 0.00 H new ATOM 361 N TYR A 149 34.133 -1.773 -24.520 1.00 0.00 N ATOM 362 CA TYR A 149 33.925 -1.230 -23.183 1.00 0.00 C ATOM 363 C TYR A 149 32.529 -1.570 -22.668 1.00 0.00 C ATOM 364 O TYR A 149 32.315 -1.702 -21.463 1.00 0.00 O ATOM 365 CB TYR A 149 34.122 0.287 -23.189 1.00 0.00 C ATOM 366 CG TYR A 149 34.828 0.811 -21.959 1.00 0.00 C ATOM 367 CD1 TYR A 149 36.077 0.325 -21.591 1.00 0.00 C ATOM 368 CD2 TYR A 149 34.246 1.791 -21.164 1.00 0.00 C ATOM 369 CE1 TYR A 149 36.725 0.800 -20.468 1.00 0.00 C ATOM 370 CE2 TYR A 149 34.888 2.273 -20.040 1.00 0.00 C ATOM 371 CZ TYR A 149 36.127 1.774 -19.696 1.00 0.00 C ATOM 372 OH TYR A 149 36.769 2.251 -18.576 1.00 0.00 O ATOM 0 H TYR A 149 34.105 -1.079 -25.267 1.00 0.00 H new ATOM 0 HA TYR A 149 34.659 -1.683 -22.517 1.00 0.00 H new ATOM 0 HB2 TYR A 149 34.695 0.567 -24.073 1.00 0.00 H new ATOM 0 HB3 TYR A 149 33.149 0.771 -23.273 1.00 0.00 H new ATOM 0 HD1 TYR A 149 36.549 -0.437 -22.194 1.00 0.00 H new ATOM 0 HD2 TYR A 149 33.275 2.182 -21.430 1.00 0.00 H new ATOM 0 HE1 TYR A 149 37.695 0.411 -20.196 1.00 0.00 H new ATOM 0 HE2 TYR A 149 34.423 3.036 -19.434 1.00 0.00 H new ATOM 0 HH TYR A 149 36.213 2.934 -18.146 1.00 0.00 H new ATOM 382 N TYR A 150 31.584 -1.712 -23.591 1.00 0.00 N ATOM 383 CA TYR A 150 30.208 -2.036 -23.232 1.00 0.00 C ATOM 384 C TYR A 150 30.113 -3.446 -22.657 1.00 0.00 C ATOM 385 O TYR A 150 29.381 -3.688 -21.697 1.00 0.00 O ATOM 386 CB TYR A 150 29.297 -1.908 -24.454 1.00 0.00 C ATOM 387 CG TYR A 150 27.894 -2.420 -24.219 1.00 0.00 C ATOM 388 CD1 TYR A 150 27.575 -3.755 -24.431 1.00 0.00 C ATOM 389 CD2 TYR A 150 26.886 -1.567 -23.786 1.00 0.00 C ATOM 390 CE1 TYR A 150 26.294 -4.227 -24.218 1.00 0.00 C ATOM 391 CE2 TYR A 150 25.603 -2.030 -23.569 1.00 0.00 C ATOM 392 CZ TYR A 150 25.312 -3.360 -23.787 1.00 0.00 C ATOM 393 OH TYR A 150 24.034 -3.825 -23.573 1.00 0.00 O ATOM 0 H TYR A 150 31.745 -1.608 -24.593 1.00 0.00 H new ATOM 0 HA TYR A 150 29.882 -1.330 -22.469 1.00 0.00 H new ATOM 0 HB2 TYR A 150 29.247 -0.861 -24.752 1.00 0.00 H new ATOM 0 HB3 TYR A 150 29.740 -2.455 -25.286 1.00 0.00 H new ATOM 0 HD1 TYR A 150 28.342 -4.436 -24.768 1.00 0.00 H new ATOM 0 HD2 TYR A 150 27.110 -0.524 -23.616 1.00 0.00 H new ATOM 0 HE1 TYR A 150 26.063 -5.268 -24.388 1.00 0.00 H new ATOM 0 HE2 TYR A 150 24.832 -1.354 -23.230 1.00 0.00 H new ATOM 0 HH TYR A 150 23.608 -3.297 -22.866 1.00 0.00 H new ATOM 403 N ARG A 151 30.858 -4.372 -23.251 1.00 0.00 N ATOM 404 CA ARG A 151 30.858 -5.758 -22.800 1.00 0.00 C ATOM 405 C ARG A 151 31.566 -5.892 -21.455 1.00 0.00 C ATOM 406 O ARG A 151 31.263 -6.791 -20.670 1.00 0.00 O ATOM 407 CB ARG A 151 31.536 -6.655 -23.837 1.00 0.00 C ATOM 408 CG ARG A 151 31.639 -8.110 -23.409 1.00 0.00 C ATOM 409 CD ARG A 151 31.629 -9.045 -24.609 1.00 0.00 C ATOM 410 NE ARG A 151 32.952 -9.174 -25.213 1.00 0.00 N ATOM 411 CZ ARG A 151 33.216 -9.973 -26.241 1.00 0.00 C ATOM 412 NH1 ARG A 151 32.253 -10.710 -26.776 1.00 0.00 N ATOM 413 NH2 ARG A 151 34.446 -10.036 -26.736 1.00 0.00 N ATOM 0 H ARG A 151 31.470 -4.187 -24.046 1.00 0.00 H new ATOM 0 HA ARG A 151 29.822 -6.074 -22.679 1.00 0.00 H new ATOM 0 HB2 ARG A 151 30.980 -6.599 -24.773 1.00 0.00 H new ATOM 0 HB3 ARG A 151 32.537 -6.272 -24.037 1.00 0.00 H new ATOM 0 HG2 ARG A 151 32.556 -8.259 -22.838 1.00 0.00 H new ATOM 0 HG3 ARG A 151 30.808 -8.356 -22.748 1.00 0.00 H new ATOM 0 HD2 ARG A 151 31.274 -10.028 -24.300 1.00 0.00 H new ATOM 0 HD3 ARG A 151 30.925 -8.672 -25.353 1.00 0.00 H new ATOM 0 HE ARG A 151 33.715 -8.620 -24.824 1.00 0.00 H new ATOM 0 HH11 ARG A 151 31.307 -10.665 -26.398 1.00 0.00 H new ATOM 0 HH12 ARG A 151 32.458 -11.323 -27.565 1.00 0.00 H new ATOM 0 HH21 ARG A 151 35.190 -9.471 -26.327 1.00 0.00 H new ATOM 0 HH22 ARG A 151 34.647 -10.650 -27.525 1.00 0.00 H new ATOM 427 N GLU A 152 32.509 -4.992 -21.196 1.00 0.00 N ATOM 428 CA GLU A 152 33.261 -5.011 -19.947 1.00 0.00 C ATOM 429 C GLU A 152 32.553 -4.190 -18.873 1.00 0.00 C ATOM 430 O GLU A 152 32.799 -4.365 -17.681 1.00 0.00 O ATOM 431 CB GLU A 152 34.675 -4.470 -20.168 1.00 0.00 C ATOM 432 CG GLU A 152 35.481 -5.269 -21.178 1.00 0.00 C ATOM 433 CD GLU A 152 36.626 -6.031 -20.538 1.00 0.00 C ATOM 434 OE1 GLU A 152 37.441 -5.399 -19.836 1.00 0.00 O ATOM 435 OE2 GLU A 152 36.705 -7.261 -20.741 1.00 0.00 O ATOM 0 H GLU A 152 32.770 -4.241 -21.834 1.00 0.00 H new ATOM 0 HA GLU A 152 33.324 -6.045 -19.607 1.00 0.00 H new ATOM 0 HB2 GLU A 152 34.611 -3.435 -20.504 1.00 0.00 H new ATOM 0 HB3 GLU A 152 35.205 -4.464 -19.216 1.00 0.00 H new ATOM 0 HG2 GLU A 152 34.823 -5.971 -21.689 1.00 0.00 H new ATOM 0 HG3 GLU A 152 35.877 -4.594 -21.937 1.00 0.00 H new ATOM 442 N ASN A 153 31.672 -3.294 -19.307 1.00 0.00 N ATOM 443 CA ASN A 153 30.928 -2.445 -18.383 1.00 0.00 C ATOM 444 C ASN A 153 29.544 -3.024 -18.106 1.00 0.00 C ATOM 445 O ASN A 153 28.892 -2.659 -17.128 1.00 0.00 O ATOM 446 CB ASN A 153 30.796 -1.030 -18.952 1.00 0.00 C ATOM 447 CG ASN A 153 32.048 -0.201 -18.735 1.00 0.00 C ATOM 448 OD1 ASN A 153 33.204 -0.793 -19.009 1.00 0.00 O flip ATOM 449 ND2 ASN A 153 31.974 0.958 -18.326 1.00 0.00 N flip ATOM 0 H ASN A 153 31.456 -3.137 -20.291 1.00 0.00 H new ATOM 0 HA ASN A 153 31.479 -2.403 -17.444 1.00 0.00 H new ATOM 0 HB2 ASN A 153 30.583 -1.089 -20.019 1.00 0.00 H new ATOM 0 HB3 ASN A 153 29.947 -0.531 -18.484 1.00 0.00 H new ATOM 0 HD21 ASN A 153 31.063 1.372 -18.128 1.00 0.00 H new ATOM 0 HD22 ASN A 153 32.824 1.504 -18.185 1.00 0.00 H new ATOM 456 N MET A 154 29.103 -3.930 -18.973 1.00 0.00 N ATOM 457 CA MET A 154 27.798 -4.561 -18.820 1.00 0.00 C ATOM 458 C MET A 154 27.651 -5.177 -17.432 1.00 0.00 C ATOM 459 O MET A 154 26.546 -5.267 -16.896 1.00 0.00 O ATOM 460 CB MET A 154 27.598 -5.635 -19.891 1.00 0.00 C ATOM 461 CG MET A 154 28.379 -6.912 -19.624 1.00 0.00 C ATOM 462 SD MET A 154 28.441 -8.001 -21.060 1.00 0.00 S ATOM 463 CE MET A 154 26.744 -7.911 -21.627 1.00 0.00 C ATOM 0 H MET A 154 29.630 -4.243 -19.788 1.00 0.00 H new ATOM 0 HA MET A 154 27.035 -3.792 -18.940 1.00 0.00 H new ATOM 0 HB2 MET A 154 26.537 -5.875 -19.959 1.00 0.00 H new ATOM 0 HB3 MET A 154 27.897 -5.232 -20.859 1.00 0.00 H new ATOM 0 HG2 MET A 154 29.395 -6.656 -19.323 1.00 0.00 H new ATOM 0 HG3 MET A 154 27.924 -7.444 -18.789 1.00 0.00 H new ATOM 0 HE1 MET A 154 26.547 -8.730 -22.318 1.00 0.00 H new ATOM 0 HE2 MET A 154 26.071 -7.987 -20.773 1.00 0.00 H new ATOM 0 HE3 MET A 154 26.580 -6.961 -22.135 1.00 0.00 H new ATOM 473 N HIS A 155 28.771 -5.601 -16.856 1.00 0.00 N ATOM 474 CA HIS A 155 28.767 -6.208 -15.530 1.00 0.00 C ATOM 475 C HIS A 155 28.188 -5.248 -14.495 1.00 0.00 C ATOM 476 O HIS A 155 27.689 -5.672 -13.452 1.00 0.00 O ATOM 477 CB HIS A 155 30.184 -6.616 -15.128 1.00 0.00 C ATOM 478 CG HIS A 155 31.032 -5.469 -14.672 1.00 0.00 C ATOM 479 ND1 HIS A 155 31.258 -4.258 -15.233 1.00 0.00 N flip ATOM 480 CD2 HIS A 155 31.768 -5.493 -13.507 1.00 0.00 C flip ATOM 481 CE1 HIS A 155 32.118 -3.580 -14.404 1.00 0.00 C flip ATOM 482 NE2 HIS A 155 32.410 -4.347 -13.370 1.00 0.00 N flip ATOM 0 H HIS A 155 29.693 -5.535 -17.287 1.00 0.00 H new ATOM 0 HA HIS A 155 28.138 -7.098 -15.567 1.00 0.00 H new ATOM 0 HB2 HIS A 155 30.127 -7.355 -14.329 1.00 0.00 H new ATOM 0 HB3 HIS A 155 30.668 -7.100 -15.976 1.00 0.00 H new ATOM 0 HD2 HIS A 155 31.813 -6.320 -12.814 1.00 0.00 H new ATOM 0 HE1 HIS A 155 32.494 -2.582 -14.571 1.00 0.00 H new ATOM 0 HE2 HIS A 155 33.027 -4.097 -12.597 1.00 0.00 H new ATOM 490 N ARG A 156 28.260 -3.954 -14.790 1.00 0.00 N ATOM 491 CA ARG A 156 27.745 -2.935 -13.884 1.00 0.00 C ATOM 492 C ARG A 156 26.554 -2.208 -14.503 1.00 0.00 C ATOM 493 O ARG A 156 26.130 -1.161 -14.013 1.00 0.00 O ATOM 494 CB ARG A 156 28.844 -1.929 -13.536 1.00 0.00 C ATOM 495 CG ARG A 156 29.315 -1.106 -14.724 1.00 0.00 C ATOM 496 CD ARG A 156 30.070 0.136 -14.277 1.00 0.00 C ATOM 497 NE ARG A 156 29.996 1.207 -15.267 1.00 0.00 N ATOM 498 CZ ARG A 156 28.934 1.988 -15.427 1.00 0.00 C ATOM 499 NH1 ARG A 156 27.862 1.820 -14.665 1.00 0.00 N ATOM 500 NH2 ARG A 156 28.943 2.942 -16.350 1.00 0.00 N ATOM 0 H ARG A 156 28.670 -3.587 -15.649 1.00 0.00 H new ATOM 0 HA ARG A 156 27.413 -3.431 -12.972 1.00 0.00 H new ATOM 0 HB2 ARG A 156 28.477 -1.256 -12.761 1.00 0.00 H new ATOM 0 HB3 ARG A 156 29.695 -2.465 -13.116 1.00 0.00 H new ATOM 0 HG2 ARG A 156 29.959 -1.716 -15.358 1.00 0.00 H new ATOM 0 HG3 ARG A 156 28.457 -0.813 -15.329 1.00 0.00 H new ATOM 0 HD2 ARG A 156 29.660 0.488 -13.330 1.00 0.00 H new ATOM 0 HD3 ARG A 156 31.114 -0.120 -14.097 1.00 0.00 H new ATOM 0 HE ARG A 156 30.805 1.364 -15.869 1.00 0.00 H new ATOM 0 HH11 ARG A 156 27.852 1.089 -13.953 1.00 0.00 H new ATOM 0 HH12 ARG A 156 27.048 2.422 -14.790 1.00 0.00 H new ATOM 0 HH21 ARG A 156 29.766 3.076 -16.937 1.00 0.00 H new ATOM 0 HH22 ARG A 156 28.127 3.541 -16.472 1.00 0.00 H new ATOM 514 N TYR A 157 26.020 -2.771 -15.581 1.00 0.00 N ATOM 515 CA TYR A 157 24.881 -2.176 -16.269 1.00 0.00 C ATOM 516 C TYR A 157 23.569 -2.589 -15.607 1.00 0.00 C ATOM 517 O TYR A 157 23.497 -3.576 -14.875 1.00 0.00 O ATOM 518 CB TYR A 157 24.874 -2.589 -17.741 1.00 0.00 C ATOM 519 CG TYR A 157 25.530 -1.579 -18.656 1.00 0.00 C ATOM 520 CD1 TYR A 157 26.707 -0.939 -18.288 1.00 0.00 C ATOM 521 CD2 TYR A 157 24.973 -1.266 -19.890 1.00 0.00 C ATOM 522 CE1 TYR A 157 27.309 -0.016 -19.120 1.00 0.00 C ATOM 523 CE2 TYR A 157 25.568 -0.345 -20.730 1.00 0.00 C ATOM 524 CZ TYR A 157 26.736 0.278 -20.340 1.00 0.00 C ATOM 525 OH TYR A 157 27.333 1.196 -21.173 1.00 0.00 O ATOM 0 H TYR A 157 26.358 -3.639 -15.997 1.00 0.00 H new ATOM 0 HA TYR A 157 24.975 -1.092 -16.204 1.00 0.00 H new ATOM 0 HB2 TYR A 157 25.386 -3.546 -17.844 1.00 0.00 H new ATOM 0 HB3 TYR A 157 23.844 -2.742 -18.062 1.00 0.00 H new ATOM 0 HD1 TYR A 157 27.159 -1.168 -17.334 1.00 0.00 H new ATOM 0 HD2 TYR A 157 24.059 -1.751 -20.198 1.00 0.00 H new ATOM 0 HE1 TYR A 157 28.223 0.473 -18.817 1.00 0.00 H new ATOM 0 HE2 TYR A 157 25.122 -0.114 -21.686 1.00 0.00 H new ATOM 0 HH TYR A 157 27.565 0.765 -22.022 1.00 0.00 H new ATOM 535 N PRO A 158 22.506 -1.815 -15.871 1.00 0.00 N ATOM 536 CA PRO A 158 21.176 -2.080 -15.314 1.00 0.00 C ATOM 537 C PRO A 158 20.537 -3.331 -15.908 1.00 0.00 C ATOM 538 O PRO A 158 20.842 -3.719 -17.034 1.00 0.00 O ATOM 539 CB PRO A 158 20.374 -0.835 -15.701 1.00 0.00 C ATOM 540 CG PRO A 158 21.060 -0.304 -16.912 1.00 0.00 C ATOM 541 CD PRO A 158 22.519 -0.623 -16.735 1.00 0.00 C ATOM 0 HA PRO A 158 21.214 -2.263 -14.240 1.00 0.00 H new ATOM 0 HB2 PRO A 158 19.334 -1.084 -15.912 1.00 0.00 H new ATOM 0 HB3 PRO A 158 20.369 -0.101 -14.895 1.00 0.00 H new ATOM 0 HG2 PRO A 158 20.667 -0.766 -17.817 1.00 0.00 H new ATOM 0 HG3 PRO A 158 20.904 0.770 -17.009 1.00 0.00 H new ATOM 0 HD2 PRO A 158 23.005 -0.824 -17.690 1.00 0.00 H new ATOM 0 HD3 PRO A 158 23.058 0.203 -16.271 1.00 0.00 H new ATOM 549 N ASN A 159 19.649 -3.957 -15.142 1.00 0.00 N ATOM 550 CA ASN A 159 18.967 -5.164 -15.593 1.00 0.00 C ATOM 551 C ASN A 159 17.462 -5.056 -15.366 1.00 0.00 C ATOM 552 O ASN A 159 16.775 -6.065 -15.207 1.00 0.00 O ATOM 553 CB ASN A 159 19.518 -6.390 -14.861 1.00 0.00 C ATOM 554 CG ASN A 159 19.315 -7.671 -15.646 1.00 0.00 C ATOM 555 OD1 ASN A 159 19.993 -7.915 -16.645 1.00 0.00 O ATOM 556 ND2 ASN A 159 18.378 -8.498 -15.197 1.00 0.00 N ATOM 0 H ASN A 159 19.385 -3.648 -14.206 1.00 0.00 H new ATOM 0 HA ASN A 159 19.148 -5.276 -16.662 1.00 0.00 H new ATOM 0 HB2 ASN A 159 20.582 -6.248 -14.671 1.00 0.00 H new ATOM 0 HB3 ASN A 159 19.030 -6.480 -13.891 1.00 0.00 H new ATOM 0 HD21 ASN A 159 18.196 -9.376 -15.684 1.00 0.00 H new ATOM 0 HD22 ASN A 159 17.840 -8.256 -14.365 1.00 0.00 H new ATOM 563 N GLN A 160 16.958 -3.827 -15.352 1.00 0.00 N ATOM 564 CA GLN A 160 15.535 -3.588 -15.144 1.00 0.00 C ATOM 565 C GLN A 160 15.213 -2.100 -15.243 1.00 0.00 C ATOM 566 O GLN A 160 16.104 -1.272 -15.431 1.00 0.00 O ATOM 567 CB GLN A 160 15.100 -4.126 -13.780 1.00 0.00 C ATOM 568 CG GLN A 160 13.747 -4.818 -13.802 1.00 0.00 C ATOM 569 CD GLN A 160 13.646 -5.936 -12.783 1.00 0.00 C ATOM 570 OE1 GLN A 160 14.371 -5.952 -11.788 1.00 0.00 O ATOM 571 NE2 GLN A 160 12.743 -6.879 -13.025 1.00 0.00 N ATOM 0 H GLN A 160 17.513 -2.981 -15.482 1.00 0.00 H new ATOM 0 HA GLN A 160 14.986 -4.113 -15.926 1.00 0.00 H new ATOM 0 HB2 GLN A 160 15.852 -4.828 -13.419 1.00 0.00 H new ATOM 0 HB3 GLN A 160 15.066 -3.302 -13.068 1.00 0.00 H new ATOM 0 HG2 GLN A 160 12.965 -4.084 -13.609 1.00 0.00 H new ATOM 0 HG3 GLN A 160 13.566 -5.222 -14.798 1.00 0.00 H new ATOM 0 HE21 GLN A 160 12.163 -6.827 -13.862 1.00 0.00 H new ATOM 0 HE22 GLN A 160 12.630 -7.656 -12.374 1.00 0.00 H new ATOM 580 N VAL A 161 13.932 -1.767 -15.116 1.00 0.00 N ATOM 581 CA VAL A 161 13.492 -0.379 -15.191 1.00 0.00 C ATOM 582 C VAL A 161 12.342 -0.115 -14.226 1.00 0.00 C ATOM 583 O VAL A 161 11.474 -0.966 -14.029 1.00 0.00 O ATOM 584 CB VAL A 161 13.046 -0.008 -16.618 1.00 0.00 C ATOM 585 CG1 VAL A 161 14.226 -0.059 -17.576 1.00 0.00 C ATOM 586 CG2 VAL A 161 11.930 -0.931 -17.084 1.00 0.00 C ATOM 0 H VAL A 161 13.181 -2.440 -14.961 1.00 0.00 H new ATOM 0 HA VAL A 161 14.345 0.240 -14.913 1.00 0.00 H new ATOM 0 HB VAL A 161 12.662 1.012 -16.607 1.00 0.00 H new ATOM 0 HG11 VAL A 161 13.892 0.206 -18.579 1.00 0.00 H new ATOM 0 HG12 VAL A 161 14.990 0.647 -17.250 1.00 0.00 H new ATOM 0 HG13 VAL A 161 14.643 -1.066 -17.587 1.00 0.00 H new ATOM 0 HG21 VAL A 161 11.627 -0.655 -18.094 1.00 0.00 H new ATOM 0 HG22 VAL A 161 12.285 -1.962 -17.081 1.00 0.00 H new ATOM 0 HG23 VAL A 161 11.077 -0.839 -16.412 1.00 0.00 H new ATOM 596 N TYR A 162 12.340 1.071 -13.627 1.00 0.00 N ATOM 597 CA TYR A 162 11.297 1.448 -12.680 1.00 0.00 C ATOM 598 C TYR A 162 10.255 2.341 -13.345 1.00 0.00 C ATOM 599 O TYR A 162 10.578 3.150 -14.215 1.00 0.00 O ATOM 600 CB TYR A 162 11.908 2.167 -11.476 1.00 0.00 C ATOM 601 CG TYR A 162 12.960 1.354 -10.755 1.00 0.00 C ATOM 602 CD1 TYR A 162 12.617 0.210 -10.046 1.00 0.00 C ATOM 603 CD2 TYR A 162 14.297 1.730 -10.784 1.00 0.00 C ATOM 604 CE1 TYR A 162 13.574 -0.535 -9.385 1.00 0.00 C ATOM 605 CE2 TYR A 162 15.262 0.991 -10.128 1.00 0.00 C ATOM 606 CZ TYR A 162 14.895 -0.141 -9.429 1.00 0.00 C ATOM 607 OH TYR A 162 15.853 -0.881 -8.774 1.00 0.00 O ATOM 0 H TYR A 162 13.049 1.788 -13.781 1.00 0.00 H new ATOM 0 HA TYR A 162 10.804 0.537 -12.339 1.00 0.00 H new ATOM 0 HB2 TYR A 162 12.352 3.105 -11.810 1.00 0.00 H new ATOM 0 HB3 TYR A 162 11.114 2.422 -10.774 1.00 0.00 H new ATOM 0 HD1 TYR A 162 11.584 -0.103 -10.011 1.00 0.00 H new ATOM 0 HD2 TYR A 162 14.587 2.616 -11.329 1.00 0.00 H new ATOM 0 HE1 TYR A 162 13.289 -1.421 -8.837 1.00 0.00 H new ATOM 0 HE2 TYR A 162 16.297 1.297 -10.162 1.00 0.00 H new ATOM 0 HH TYR A 162 16.732 -0.468 -8.906 1.00 0.00 H new ATOM 797 N ASN A 174 6.880 11.385 -23.012 1.00 0.00 N ATOM 798 CA ASN A 174 7.757 11.936 -21.986 1.00 0.00 C ATOM 799 C ASN A 174 7.774 11.044 -20.748 1.00 0.00 C ATOM 800 O ASN A 174 8.759 11.005 -20.011 1.00 0.00 O ATOM 801 CB ASN A 174 7.307 13.348 -21.604 1.00 0.00 C ATOM 802 CG ASN A 174 8.397 14.131 -20.897 1.00 0.00 C ATOM 803 OD1 ASN A 174 9.374 14.554 -21.516 1.00 0.00 O ATOM 804 ND2 ASN A 174 8.233 14.327 -19.594 1.00 0.00 N ATOM 0 HA ASN A 174 8.767 11.982 -22.394 1.00 0.00 H new ATOM 0 HB2 ASN A 174 7.002 13.885 -22.502 1.00 0.00 H new ATOM 0 HB3 ASN A 174 6.431 13.285 -20.958 1.00 0.00 H new ATOM 0 HD21 ASN A 174 8.933 14.847 -19.064 1.00 0.00 H new ATOM 0 HD22 ASN A 174 7.407 13.958 -19.123 1.00 0.00 H new ATOM 811 N PHE A 175 6.677 10.327 -20.528 1.00 0.00 N ATOM 812 CA PHE A 175 6.564 9.435 -19.379 1.00 0.00 C ATOM 813 C PHE A 175 7.689 8.404 -19.380 1.00 0.00 C ATOM 814 O PHE A 175 8.422 8.267 -18.401 1.00 0.00 O ATOM 815 CB PHE A 175 5.208 8.728 -19.387 1.00 0.00 C ATOM 816 CG PHE A 175 4.468 8.836 -18.085 1.00 0.00 C ATOM 817 CD1 PHE A 175 5.075 8.464 -16.895 1.00 0.00 C ATOM 818 CD2 PHE A 175 3.166 9.309 -18.049 1.00 0.00 C ATOM 819 CE1 PHE A 175 4.396 8.562 -15.696 1.00 0.00 C ATOM 820 CE2 PHE A 175 2.482 9.409 -16.852 1.00 0.00 C ATOM 821 CZ PHE A 175 3.099 9.036 -15.674 1.00 0.00 C ATOM 0 H PHE A 175 5.854 10.346 -21.130 1.00 0.00 H new ATOM 0 HA PHE A 175 6.646 10.036 -18.473 1.00 0.00 H new ATOM 0 HB2 PHE A 175 4.592 9.149 -20.182 1.00 0.00 H new ATOM 0 HB3 PHE A 175 5.358 7.675 -19.624 1.00 0.00 H new ATOM 0 HD1 PHE A 175 6.089 8.094 -16.906 1.00 0.00 H new ATOM 0 HD2 PHE A 175 2.680 9.603 -18.967 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.879 8.268 -14.776 1.00 0.00 H new ATOM 0 HE2 PHE A 175 1.467 9.778 -16.838 1.00 0.00 H new ATOM 0 HZ PHE A 175 2.568 9.115 -14.737 1.00 0.00 H new ATOM 831 N VAL A 176 7.818 7.679 -20.487 1.00 0.00 N ATOM 832 CA VAL A 176 8.852 6.659 -20.617 1.00 0.00 C ATOM 833 C VAL A 176 10.244 7.276 -20.540 1.00 0.00 C ATOM 834 O VAL A 176 11.176 6.668 -20.011 1.00 0.00 O ATOM 835 CB VAL A 176 8.717 5.888 -21.943 1.00 0.00 C ATOM 836 CG1 VAL A 176 9.755 4.780 -22.025 1.00 0.00 C ATOM 837 CG2 VAL A 176 7.311 5.325 -22.091 1.00 0.00 C ATOM 0 H VAL A 176 7.219 7.779 -21.307 1.00 0.00 H new ATOM 0 HA VAL A 176 8.718 5.965 -19.787 1.00 0.00 H new ATOM 0 HB VAL A 176 8.895 6.581 -22.766 1.00 0.00 H new ATOM 0 HG11 VAL A 176 9.644 4.246 -22.969 1.00 0.00 H new ATOM 0 HG12 VAL A 176 10.754 5.212 -21.968 1.00 0.00 H new ATOM 0 HG13 VAL A 176 9.612 4.086 -21.197 1.00 0.00 H new ATOM 0 HG21 VAL A 176 7.233 4.783 -23.034 1.00 0.00 H new ATOM 0 HG22 VAL A 176 7.102 4.646 -21.264 1.00 0.00 H new ATOM 0 HG23 VAL A 176 6.589 6.142 -22.081 1.00 0.00 H new ATOM 847 N HIS A 177 10.379 8.487 -21.070 1.00 0.00 N ATOM 848 CA HIS A 177 11.659 9.188 -21.061 1.00 0.00 C ATOM 849 C HIS A 177 12.111 9.473 -19.632 1.00 0.00 C ATOM 850 O HIS A 177 13.286 9.322 -19.301 1.00 0.00 O ATOM 851 CB HIS A 177 11.554 10.495 -21.846 1.00 0.00 C ATOM 852 CG HIS A 177 11.436 10.297 -23.326 1.00 0.00 C ATOM 853 ND1 HIS A 177 11.926 11.199 -24.247 1.00 0.00 N ATOM 854 CD2 HIS A 177 10.881 9.293 -24.043 1.00 0.00 C ATOM 855 CE1 HIS A 177 11.676 10.758 -25.467 1.00 0.00 C ATOM 856 NE2 HIS A 177 11.043 9.603 -25.371 1.00 0.00 N ATOM 0 H HIS A 177 9.618 9.004 -21.511 1.00 0.00 H new ATOM 0 HA HIS A 177 12.401 8.547 -21.537 1.00 0.00 H new ATOM 0 HB2 HIS A 177 10.687 11.053 -21.492 1.00 0.00 H new ATOM 0 HB3 HIS A 177 12.433 11.106 -21.638 1.00 0.00 H new ATOM 0 HD2 HIS A 177 10.400 8.412 -23.645 1.00 0.00 H new ATOM 0 HE1 HIS A 177 11.944 11.257 -26.387 1.00 0.00 H new ATOM 0 HE2 HIS A 177 10.726 9.034 -26.156 1.00 0.00 H new ATOM 864 N ASN A 178 11.170 9.888 -18.790 1.00 0.00 N ATOM 865 CA ASN A 178 11.472 10.196 -17.397 1.00 0.00 C ATOM 866 C ASN A 178 11.869 8.936 -16.635 1.00 0.00 C ATOM 867 O ASN A 178 12.865 8.923 -15.910 1.00 0.00 O ATOM 868 CB ASN A 178 10.265 10.853 -16.725 1.00 0.00 C ATOM 869 CG ASN A 178 10.669 11.835 -15.642 1.00 0.00 C ATOM 870 OD1 ASN A 178 11.582 12.640 -15.828 1.00 0.00 O ATOM 871 ND2 ASN A 178 9.990 11.772 -14.503 1.00 0.00 N ATOM 0 H ASN A 178 10.192 10.019 -19.048 1.00 0.00 H new ATOM 0 HA ASN A 178 12.312 10.890 -17.378 1.00 0.00 H new ATOM 0 HB2 ASN A 178 9.671 11.371 -17.478 1.00 0.00 H new ATOM 0 HB3 ASN A 178 9.629 10.081 -16.292 1.00 0.00 H new ATOM 0 HD21 ASN A 178 10.217 12.407 -13.738 1.00 0.00 H new ATOM 0 HD22 ASN A 178 9.241 11.089 -14.393 1.00 0.00 H new ATOM 878 N CYS A 179 11.084 7.877 -16.804 1.00 0.00 N ATOM 879 CA CYS A 179 11.353 6.611 -16.133 1.00 0.00 C ATOM 880 C CYS A 179 12.777 6.139 -16.411 1.00 0.00 C ATOM 881 O CYS A 179 13.382 5.441 -15.596 1.00 0.00 O ATOM 882 CB CYS A 179 10.353 5.546 -16.590 1.00 0.00 C ATOM 883 SG CYS A 179 8.626 5.902 -16.133 1.00 0.00 S ATOM 0 H CYS A 179 10.256 7.871 -17.400 1.00 0.00 H new ATOM 0 HA CYS A 179 11.244 6.767 -15.060 1.00 0.00 H new ATOM 0 HB2 CYS A 179 10.417 5.444 -17.673 1.00 0.00 H new ATOM 0 HB3 CYS A 179 10.640 4.586 -16.162 1.00 0.00 H new ATOM 0 HG CYS A 179 8.163 6.851 -16.892 1.00 0.00 H new ATOM 888 N VAL A 180 13.308 6.526 -17.566 1.00 0.00 N ATOM 889 CA VAL A 180 14.662 6.144 -17.952 1.00 0.00 C ATOM 890 C VAL A 180 15.695 6.777 -17.026 1.00 0.00 C ATOM 891 O VAL A 180 16.622 6.111 -16.568 1.00 0.00 O ATOM 892 CB VAL A 180 14.969 6.556 -19.404 1.00 0.00 C ATOM 893 CG1 VAL A 180 16.393 6.174 -19.777 1.00 0.00 C ATOM 894 CG2 VAL A 180 13.970 5.921 -20.360 1.00 0.00 C ATOM 0 H VAL A 180 12.822 7.104 -18.251 1.00 0.00 H new ATOM 0 HA VAL A 180 14.721 5.059 -17.871 1.00 0.00 H new ATOM 0 HB VAL A 180 14.876 7.639 -19.484 1.00 0.00 H new ATOM 0 HG11 VAL A 180 16.592 6.473 -20.806 1.00 0.00 H new ATOM 0 HG12 VAL A 180 17.092 6.680 -19.111 1.00 0.00 H new ATOM 0 HG13 VAL A 180 16.517 5.095 -19.682 1.00 0.00 H new ATOM 0 HG21 VAL A 180 14.202 6.223 -21.381 1.00 0.00 H new ATOM 0 HG22 VAL A 180 14.029 4.836 -20.280 1.00 0.00 H new ATOM 0 HG23 VAL A 180 12.963 6.249 -20.104 1.00 0.00 H new ATOM 904 N ASN A 181 15.528 8.067 -16.755 1.00 0.00 N ATOM 905 CA ASN A 181 16.446 8.791 -15.884 1.00 0.00 C ATOM 906 C ASN A 181 16.340 8.292 -14.446 1.00 0.00 C ATOM 907 O ASN A 181 17.331 8.253 -13.717 1.00 0.00 O ATOM 908 CB ASN A 181 16.157 10.292 -15.937 1.00 0.00 C ATOM 909 CG ASN A 181 17.403 11.129 -15.722 1.00 0.00 C ATOM 910 OD1 ASN A 181 17.865 11.296 -14.593 1.00 0.00 O ATOM 911 ND2 ASN A 181 17.954 11.661 -16.808 1.00 0.00 N ATOM 0 H ASN A 181 14.765 8.633 -17.126 1.00 0.00 H new ATOM 0 HA ASN A 181 17.461 8.611 -16.239 1.00 0.00 H new ATOM 0 HB2 ASN A 181 15.718 10.541 -16.903 1.00 0.00 H new ATOM 0 HB3 ASN A 181 15.418 10.544 -15.177 1.00 0.00 H new ATOM 0 HD21 ASN A 181 18.794 12.234 -16.725 1.00 0.00 H new ATOM 0 HD22 ASN A 181 17.537 11.496 -17.724 1.00 0.00 H new ATOM 918 N ILE A 182 15.131 7.910 -14.047 1.00 0.00 N ATOM 919 CA ILE A 182 14.895 7.412 -12.697 1.00 0.00 C ATOM 920 C ILE A 182 15.693 6.139 -12.434 1.00 0.00 C ATOM 921 O ILE A 182 16.137 5.892 -11.312 1.00 0.00 O ATOM 922 CB ILE A 182 13.401 7.127 -12.456 1.00 0.00 C ATOM 923 CG1 ILE A 182 12.574 8.394 -12.686 1.00 0.00 C ATOM 924 CG2 ILE A 182 13.185 6.595 -11.047 1.00 0.00 C ATOM 925 CD1 ILE A 182 11.087 8.135 -12.780 1.00 0.00 C ATOM 0 H ILE A 182 14.301 7.936 -14.639 1.00 0.00 H new ATOM 0 HA ILE A 182 15.223 8.192 -12.010 1.00 0.00 H new ATOM 0 HB ILE A 182 13.071 6.368 -13.165 1.00 0.00 H new ATOM 0 HG12 ILE A 182 12.762 9.094 -11.872 1.00 0.00 H new ATOM 0 HG13 ILE A 182 12.910 8.876 -13.604 1.00 0.00 H new ATOM 0 HG21 ILE A 182 12.124 6.398 -10.891 1.00 0.00 H new ATOM 0 HG22 ILE A 182 13.749 5.671 -10.917 1.00 0.00 H new ATOM 0 HG23 ILE A 182 13.527 7.334 -10.323 1.00 0.00 H new ATOM 0 HD11 ILE A 182 10.563 9.077 -12.943 1.00 0.00 H new ATOM 0 HD12 ILE A 182 10.887 7.460 -13.612 1.00 0.00 H new ATOM 0 HD13 ILE A 182 10.737 7.681 -11.853 1.00 0.00 H new ATOM 937 N THR A 183 15.874 5.334 -13.476 1.00 0.00 N ATOM 938 CA THR A 183 16.619 4.087 -13.359 1.00 0.00 C ATOM 939 C THR A 183 18.019 4.333 -12.806 1.00 0.00 C ATOM 940 O THR A 183 18.408 3.749 -11.795 1.00 0.00 O ATOM 941 CB THR A 183 16.734 3.371 -14.718 1.00 0.00 C ATOM 942 OG1 THR A 183 15.432 3.169 -15.277 1.00 0.00 O ATOM 943 CG2 THR A 183 17.441 2.033 -14.566 1.00 0.00 C ATOM 0 H THR A 183 15.514 5.524 -14.411 1.00 0.00 H new ATOM 0 HA THR A 183 16.065 3.451 -12.668 1.00 0.00 H new ATOM 0 HB THR A 183 17.321 4.000 -15.387 1.00 0.00 H new ATOM 0 HG1 THR A 183 15.276 2.210 -15.405 1.00 0.00 H new ATOM 0 HG21 THR A 183 17.511 1.546 -15.539 1.00 0.00 H new ATOM 0 HG22 THR A 183 18.443 2.194 -14.168 1.00 0.00 H new ATOM 0 HG23 THR A 183 16.877 1.399 -13.882 1.00 0.00 H new ATOM 951 N ILE A 184 18.770 5.200 -13.476 1.00 0.00 N ATOM 952 CA ILE A 184 20.126 5.524 -13.050 1.00 0.00 C ATOM 953 C ILE A 184 20.117 6.350 -11.768 1.00 0.00 C ATOM 954 O ILE A 184 21.034 6.259 -10.951 1.00 0.00 O ATOM 955 CB ILE A 184 20.889 6.298 -14.141 1.00 0.00 C ATOM 956 CG1 ILE A 184 20.939 5.483 -15.435 1.00 0.00 C ATOM 957 CG2 ILE A 184 22.295 6.635 -13.666 1.00 0.00 C ATOM 958 CD1 ILE A 184 20.009 5.999 -16.510 1.00 0.00 C ATOM 0 H ILE A 184 18.463 5.691 -14.316 1.00 0.00 H new ATOM 0 HA ILE A 184 20.634 4.577 -12.866 1.00 0.00 H new ATOM 0 HB ILE A 184 20.361 7.230 -14.341 1.00 0.00 H new ATOM 0 HG12 ILE A 184 21.960 5.485 -15.817 1.00 0.00 H new ATOM 0 HG13 ILE A 184 20.684 4.447 -15.212 1.00 0.00 H new ATOM 0 HG21 ILE A 184 22.822 7.182 -14.448 1.00 0.00 H new ATOM 0 HG22 ILE A 184 22.238 7.250 -12.768 1.00 0.00 H new ATOM 0 HG23 ILE A 184 22.834 5.714 -13.441 1.00 0.00 H new ATOM 0 HD11 ILE A 184 20.097 5.373 -17.398 1.00 0.00 H new ATOM 0 HD12 ILE A 184 18.982 5.971 -16.147 1.00 0.00 H new ATOM 0 HD13 ILE A 184 20.277 7.025 -16.761 1.00 0.00 H new ATOM 970 N LYS A 185 19.074 7.155 -11.597 1.00 0.00 N ATOM 971 CA LYS A 185 18.943 7.996 -10.413 1.00 0.00 C ATOM 972 C LYS A 185 19.103 7.172 -9.140 1.00 0.00 C ATOM 973 O LYS A 185 19.986 7.438 -8.325 1.00 0.00 O ATOM 974 CB LYS A 185 17.583 8.699 -10.411 1.00 0.00 C ATOM 975 CG LYS A 185 17.473 9.806 -9.376 1.00 0.00 C ATOM 976 CD LYS A 185 16.670 9.360 -8.166 1.00 0.00 C ATOM 977 CE LYS A 185 15.280 9.978 -8.161 1.00 0.00 C ATOM 978 NZ LYS A 185 14.540 9.688 -9.420 1.00 0.00 N ATOM 0 H LYS A 185 18.307 7.243 -12.263 1.00 0.00 H new ATOM 0 HA LYS A 185 19.734 8.746 -10.441 1.00 0.00 H new ATOM 0 HB2 LYS A 185 17.398 9.118 -11.400 1.00 0.00 H new ATOM 0 HB3 LYS A 185 16.802 7.961 -10.226 1.00 0.00 H new ATOM 0 HG2 LYS A 185 18.471 10.110 -9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 185 17.001 10.680 -9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 185 16.586 8.273 -8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 185 17.197 9.641 -7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 185 14.715 9.595 -7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 185 15.363 11.057 -8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 13.538 9.515 -9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 14.619 10.501 -10.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 14.945 8.845 -9.875 1.00 0.00 H new ATOM 992 N GLN A 186 18.244 6.170 -8.977 1.00 0.00 N ATOM 993 CA GLN A 186 18.292 5.307 -7.802 1.00 0.00 C ATOM 994 C GLN A 186 19.535 4.424 -7.826 1.00 0.00 C ATOM 995 O GLN A 186 20.025 3.995 -6.781 1.00 0.00 O ATOM 996 CB GLN A 186 17.035 4.438 -7.730 1.00 0.00 C ATOM 997 CG GLN A 186 16.532 4.212 -6.314 1.00 0.00 C ATOM 998 CD GLN A 186 15.717 5.378 -5.791 1.00 0.00 C ATOM 999 OE1 GLN A 186 16.015 5.934 -4.733 1.00 0.00 O ATOM 1000 NE2 GLN A 186 14.680 5.754 -6.530 1.00 0.00 N ATOM 0 H GLN A 186 17.508 5.936 -9.643 1.00 0.00 H new ATOM 0 HA GLN A 186 18.337 5.942 -6.917 1.00 0.00 H new ATOM 0 HB2 GLN A 186 16.245 4.907 -8.317 1.00 0.00 H new ATOM 0 HB3 GLN A 186 17.244 3.473 -8.191 1.00 0.00 H new ATOM 0 HG2 GLN A 186 15.923 3.308 -6.289 1.00 0.00 H new ATOM 0 HG3 GLN A 186 17.382 4.043 -5.653 1.00 0.00 H new ATOM 0 HE21 GLN A 186 14.470 5.265 -7.400 1.00 0.00 H new ATOM 0 HE22 GLN A 186 14.094 6.532 -6.228 1.00 0.00 H new ATOM 1009 N HIS A 187 20.040 4.154 -9.026 1.00 0.00 N ATOM 1010 CA HIS A 187 21.227 3.321 -9.186 1.00 0.00 C ATOM 1011 C HIS A 187 22.416 3.922 -8.443 1.00 0.00 C ATOM 1012 O HIS A 187 23.337 3.208 -8.042 1.00 0.00 O ATOM 1013 CB HIS A 187 21.565 3.158 -10.668 1.00 0.00 C ATOM 1014 CG HIS A 187 22.493 2.016 -10.949 1.00 0.00 C ATOM 1015 ND1 HIS A 187 23.724 2.177 -11.548 1.00 0.00 N ATOM 1016 CD2 HIS A 187 22.364 0.691 -10.707 1.00 0.00 C ATOM 1017 CE1 HIS A 187 24.312 1.000 -11.664 1.00 0.00 C ATOM 1018 NE2 HIS A 187 23.507 0.081 -11.161 1.00 0.00 N ATOM 0 H HIS A 187 19.646 4.500 -9.901 1.00 0.00 H new ATOM 0 HA HIS A 187 21.013 2.341 -8.760 1.00 0.00 H new ATOM 0 HB2 HIS A 187 20.642 3.012 -11.229 1.00 0.00 H new ATOM 0 HB3 HIS A 187 22.017 4.081 -11.033 1.00 0.00 H new ATOM 0 HD2 HIS A 187 21.519 0.204 -10.243 1.00 0.00 H new ATOM 0 HE1 HIS A 187 25.285 0.820 -12.096 1.00 0.00 H new ATOM 0 HE2 HIS A 187 23.703 -0.919 -11.117 1.00 0.00 H new ATOM 1026 N THR A 188 22.392 5.239 -8.263 1.00 0.00 N ATOM 1027 CA THR A 188 23.469 5.935 -7.571 1.00 0.00 C ATOM 1028 C THR A 188 23.709 5.341 -6.188 1.00 0.00 C ATOM 1029 O THR A 188 24.812 5.425 -5.648 1.00 0.00 O ATOM 1030 CB THR A 188 23.163 7.438 -7.426 1.00 0.00 C ATOM 1031 OG1 THR A 188 21.987 7.624 -6.631 1.00 0.00 O ATOM 1032 CG2 THR A 188 22.969 8.085 -8.789 1.00 0.00 C ATOM 0 H THR A 188 21.638 5.845 -8.587 1.00 0.00 H new ATOM 0 HA THR A 188 24.367 5.811 -8.177 1.00 0.00 H new ATOM 0 HB THR A 188 24.012 7.913 -6.934 1.00 0.00 H new ATOM 0 HG1 THR A 188 21.209 7.728 -7.217 1.00 0.00 H new ATOM 0 HG21 THR A 188 22.754 9.146 -8.661 1.00 0.00 H new ATOM 0 HG22 THR A 188 23.877 7.968 -9.380 1.00 0.00 H new ATOM 0 HG23 THR A 188 22.136 7.606 -9.304 1.00 0.00 H new ATOM 1040 N VAL A 189 22.669 4.739 -5.619 1.00 0.00 N ATOM 1041 CA VAL A 189 22.767 4.128 -4.299 1.00 0.00 C ATOM 1042 C VAL A 189 23.803 3.009 -4.287 1.00 0.00 C ATOM 1043 O VAL A 189 24.681 2.970 -3.425 1.00 0.00 O ATOM 1044 CB VAL A 189 21.411 3.562 -3.840 1.00 0.00 C ATOM 1045 CG1 VAL A 189 21.540 2.908 -2.473 1.00 0.00 C ATOM 1046 CG2 VAL A 189 20.356 4.658 -3.819 1.00 0.00 C ATOM 0 H VAL A 189 21.749 4.662 -6.052 1.00 0.00 H new ATOM 0 HA VAL A 189 23.076 4.913 -3.609 1.00 0.00 H new ATOM 0 HB VAL A 189 21.096 2.799 -4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 189 20.571 2.514 -2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 189 22.263 2.094 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 189 21.878 3.647 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 189 19.404 4.240 -3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 189 20.663 5.445 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 189 20.245 5.075 -4.820 1.00 0.00 H new ATOM 1056 N THR A 190 23.695 2.100 -5.251 1.00 0.00 N ATOM 1057 CA THR A 190 24.621 0.979 -5.351 1.00 0.00 C ATOM 1058 C THR A 190 25.987 1.437 -5.849 1.00 0.00 C ATOM 1059 O THR A 190 27.006 0.806 -5.568 1.00 0.00 O ATOM 1060 CB THR A 190 24.082 -0.112 -6.295 1.00 0.00 C ATOM 1061 OG1 THR A 190 22.806 -0.571 -5.836 1.00 0.00 O ATOM 1062 CG2 THR A 190 25.049 -1.284 -6.376 1.00 0.00 C ATOM 0 H THR A 190 22.975 2.118 -5.974 1.00 0.00 H new ATOM 0 HA THR A 190 24.724 0.563 -4.349 1.00 0.00 H new ATOM 0 HB THR A 190 23.976 0.320 -7.290 1.00 0.00 H new ATOM 0 HG1 THR A 190 22.470 -1.263 -6.443 1.00 0.00 H new ATOM 0 HG21 THR A 190 24.647 -2.042 -7.048 1.00 0.00 H new ATOM 0 HG22 THR A 190 26.011 -0.937 -6.754 1.00 0.00 H new ATOM 0 HG23 THR A 190 25.183 -1.714 -5.384 1.00 0.00 H new ATOM 1070 N THR A 191 26.001 2.540 -6.591 1.00 0.00 N ATOM 1071 CA THR A 191 27.242 3.083 -7.129 1.00 0.00 C ATOM 1072 C THR A 191 28.258 3.337 -6.021 1.00 0.00 C ATOM 1073 O THR A 191 29.466 3.338 -6.259 1.00 0.00 O ATOM 1074 CB THR A 191 26.996 4.397 -7.894 1.00 0.00 C ATOM 1075 OG1 THR A 191 26.031 4.186 -8.931 1.00 0.00 O ATOM 1076 CG2 THR A 191 28.289 4.922 -8.498 1.00 0.00 C ATOM 0 H THR A 191 25.167 3.075 -6.833 1.00 0.00 H new ATOM 0 HA THR A 191 27.639 2.338 -7.819 1.00 0.00 H new ATOM 0 HB THR A 191 26.616 5.137 -7.189 1.00 0.00 H new ATOM 0 HG1 THR A 191 25.192 3.867 -8.537 1.00 0.00 H new ATOM 0 HG21 THR A 191 28.090 5.850 -9.033 1.00 0.00 H new ATOM 0 HG22 THR A 191 29.012 5.109 -7.704 1.00 0.00 H new ATOM 0 HG23 THR A 191 28.693 4.184 -9.190 1.00 0.00 H new ATOM 1084 N THR A 192 27.760 3.552 -4.806 1.00 0.00 N ATOM 1085 CA THR A 192 28.624 3.807 -3.661 1.00 0.00 C ATOM 1086 C THR A 192 29.479 2.588 -3.334 1.00 0.00 C ATOM 1087 O THR A 192 30.575 2.714 -2.788 1.00 0.00 O ATOM 1088 CB THR A 192 27.805 4.195 -2.415 1.00 0.00 C ATOM 1089 OG1 THR A 192 26.863 5.221 -2.748 1.00 0.00 O ATOM 1090 CG2 THR A 192 28.716 4.679 -1.298 1.00 0.00 C ATOM 0 H THR A 192 26.763 3.554 -4.591 1.00 0.00 H new ATOM 0 HA THR A 192 29.273 4.639 -3.934 1.00 0.00 H new ATOM 0 HB THR A 192 27.271 3.310 -2.069 1.00 0.00 H new ATOM 0 HG1 THR A 192 26.016 4.811 -3.022 1.00 0.00 H new ATOM 0 HG21 THR A 192 28.115 4.947 -0.429 1.00 0.00 H new ATOM 0 HG22 THR A 192 29.412 3.886 -1.027 1.00 0.00 H new ATOM 0 HG23 THR A 192 29.274 5.552 -1.636 1.00 0.00 H new ATOM 1098 N THR A 193 28.970 1.407 -3.671 1.00 0.00 N ATOM 1099 CA THR A 193 29.687 0.165 -3.413 1.00 0.00 C ATOM 1100 C THR A 193 31.023 0.138 -4.147 1.00 0.00 C ATOM 1101 O THR A 193 32.035 -0.299 -3.599 1.00 0.00 O ATOM 1102 CB THR A 193 28.857 -1.062 -3.837 1.00 0.00 C ATOM 1103 OG1 THR A 193 27.597 -1.060 -3.155 1.00 0.00 O ATOM 1104 CG2 THR A 193 29.603 -2.352 -3.533 1.00 0.00 C ATOM 0 H THR A 193 28.064 1.285 -4.123 1.00 0.00 H new ATOM 0 HA THR A 193 29.865 0.121 -2.338 1.00 0.00 H new ATOM 0 HB THR A 193 28.688 -1.005 -4.912 1.00 0.00 H new ATOM 0 HG1 THR A 193 26.963 -0.491 -3.640 1.00 0.00 H new ATOM 0 HG21 THR A 193 28.997 -3.204 -3.841 1.00 0.00 H new ATOM 0 HG22 THR A 193 30.548 -2.363 -4.077 1.00 0.00 H new ATOM 0 HG23 THR A 193 29.800 -2.415 -2.463 1.00 0.00 H new ATOM 1112 N LYS A 194 31.020 0.608 -5.389 1.00 0.00 N ATOM 1113 CA LYS A 194 32.232 0.640 -6.199 1.00 0.00 C ATOM 1114 C LYS A 194 32.991 1.946 -5.989 1.00 0.00 C ATOM 1115 O LYS A 194 34.149 2.073 -6.387 1.00 0.00 O ATOM 1116 CB LYS A 194 31.885 0.472 -7.680 1.00 0.00 C ATOM 1117 CG LYS A 194 31.779 -0.979 -8.119 1.00 0.00 C ATOM 1118 CD LYS A 194 30.401 -1.294 -8.675 1.00 0.00 C ATOM 1119 CE LYS A 194 30.402 -2.595 -9.462 1.00 0.00 C ATOM 1120 NZ LYS A 194 30.455 -3.784 -8.567 1.00 0.00 N ATOM 0 H LYS A 194 30.191 0.973 -5.858 1.00 0.00 H new ATOM 0 HA LYS A 194 32.871 -0.186 -5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 194 30.939 0.974 -7.882 1.00 0.00 H new ATOM 0 HB3 LYS A 194 32.645 0.970 -8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 194 32.534 -1.187 -8.877 1.00 0.00 H new ATOM 0 HG3 LYS A 194 31.989 -1.633 -7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 194 29.684 -1.363 -7.857 1.00 0.00 H new ATOM 0 HD3 LYS A 194 30.072 -0.478 -9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 194 29.506 -2.646 -10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 194 31.257 -2.610 -10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 30.454 -4.651 -9.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 31.322 -3.749 -7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 29.626 -3.783 -7.940 1.00 0.00 H new ATOM 1134 N GLY A 195 32.332 2.915 -5.361 1.00 0.00 N ATOM 1135 CA GLY A 195 32.962 4.198 -5.108 1.00 0.00 C ATOM 1136 C GLY A 195 33.486 4.846 -6.375 1.00 0.00 C ATOM 1137 O GLY A 195 34.593 5.383 -6.392 1.00 0.00 O ATOM 0 H GLY A 195 31.373 2.835 -5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 195 32.243 4.865 -4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 195 33.784 4.063 -4.405 1.00 0.00 H new ATOM 1141 N GLU A 196 32.689 4.794 -7.438 1.00 0.00 N ATOM 1142 CA GLU A 196 33.082 5.379 -8.714 1.00 0.00 C ATOM 1143 C GLU A 196 31.989 6.300 -9.250 1.00 0.00 C ATOM 1144 O GLU A 196 30.922 6.428 -8.651 1.00 0.00 O ATOM 1145 CB GLU A 196 33.381 4.278 -9.734 1.00 0.00 C ATOM 1146 CG GLU A 196 34.857 3.935 -9.845 1.00 0.00 C ATOM 1147 CD GLU A 196 35.178 3.131 -11.090 1.00 0.00 C ATOM 1148 OE1 GLU A 196 34.238 2.802 -11.842 1.00 0.00 O ATOM 1149 OE2 GLU A 196 36.370 2.832 -11.311 1.00 0.00 O ATOM 0 H GLU A 196 31.769 4.353 -7.441 1.00 0.00 H new ATOM 0 HA GLU A 196 33.984 5.969 -8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 196 32.828 3.380 -9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 196 33.015 4.591 -10.712 1.00 0.00 H new ATOM 0 HG2 GLU A 196 35.440 4.856 -9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 196 35.162 3.370 -8.964 1.00 0.00 H new ATOM 1156 N ASN A 197 32.265 6.940 -10.382 1.00 0.00 N ATOM 1157 CA ASN A 197 31.307 7.850 -10.998 1.00 0.00 C ATOM 1158 C ASN A 197 31.021 7.444 -12.440 1.00 0.00 C ATOM 1159 O ASN A 197 31.652 6.533 -12.977 1.00 0.00 O ATOM 1160 CB ASN A 197 31.835 9.286 -10.955 1.00 0.00 C ATOM 1161 CG ASN A 197 33.174 9.430 -11.653 1.00 0.00 C ATOM 1162 OD1 ASN A 197 34.159 8.801 -11.266 1.00 0.00 O ATOM 1163 ND2 ASN A 197 33.215 10.261 -12.688 1.00 0.00 N ATOM 0 H ASN A 197 33.144 6.845 -10.891 1.00 0.00 H new ATOM 0 HA ASN A 197 30.377 7.795 -10.433 1.00 0.00 H new ATOM 0 HB2 ASN A 197 31.110 9.951 -11.424 1.00 0.00 H new ATOM 0 HB3 ASN A 197 31.933 9.603 -9.917 1.00 0.00 H new ATOM 0 HD21 ASN A 197 34.088 10.399 -13.197 1.00 0.00 H new ATOM 0 HD22 ASN A 197 32.374 10.762 -12.974 1.00 0.00 H new ATOM 1170 N PHE A 198 30.066 8.127 -13.063 1.00 0.00 N ATOM 1171 CA PHE A 198 29.696 7.838 -14.444 1.00 0.00 C ATOM 1172 C PHE A 198 30.131 8.968 -15.372 1.00 0.00 C ATOM 1173 O PHE A 198 29.948 10.146 -15.064 1.00 0.00 O ATOM 1174 CB PHE A 198 28.184 7.625 -14.555 1.00 0.00 C ATOM 1175 CG PHE A 198 27.378 8.673 -13.842 1.00 0.00 C ATOM 1176 CD1 PHE A 198 27.014 9.844 -14.487 1.00 0.00 C ATOM 1177 CD2 PHE A 198 26.982 8.486 -12.528 1.00 0.00 C ATOM 1178 CE1 PHE A 198 26.273 10.810 -13.833 1.00 0.00 C ATOM 1179 CE2 PHE A 198 26.240 9.448 -11.868 1.00 0.00 C ATOM 1180 CZ PHE A 198 25.884 10.611 -12.523 1.00 0.00 C ATOM 0 H PHE A 198 29.534 8.884 -12.634 1.00 0.00 H new ATOM 0 HA PHE A 198 30.208 6.925 -14.748 1.00 0.00 H new ATOM 0 HB2 PHE A 198 27.903 7.615 -15.608 1.00 0.00 H new ATOM 0 HB3 PHE A 198 27.932 6.645 -14.149 1.00 0.00 H new ATOM 0 HD1 PHE A 198 27.313 10.004 -15.513 1.00 0.00 H new ATOM 0 HD2 PHE A 198 27.256 7.577 -12.013 1.00 0.00 H new ATOM 0 HE1 PHE A 198 25.998 11.720 -14.346 1.00 0.00 H new ATOM 0 HE2 PHE A 198 25.939 9.291 -10.843 1.00 0.00 H new ATOM 0 HZ PHE A 198 25.302 11.363 -12.011 1.00 0.00 H new ATOM 1190 N THR A 199 30.710 8.601 -16.511 1.00 0.00 N ATOM 1191 CA THR A 199 31.174 9.582 -17.484 1.00 0.00 C ATOM 1192 C THR A 199 30.081 9.916 -18.492 1.00 0.00 C ATOM 1193 O THR A 199 29.145 9.141 -18.685 1.00 0.00 O ATOM 1194 CB THR A 199 32.418 9.078 -18.240 1.00 0.00 C ATOM 1195 OG1 THR A 199 32.144 7.807 -18.842 1.00 0.00 O ATOM 1196 CG2 THR A 199 33.609 8.954 -17.302 1.00 0.00 C ATOM 0 H THR A 199 30.869 7.631 -16.782 1.00 0.00 H new ATOM 0 HA THR A 199 31.436 10.481 -16.926 1.00 0.00 H new ATOM 0 HB THR A 199 32.662 9.803 -19.017 1.00 0.00 H new ATOM 0 HG1 THR A 199 32.939 7.494 -19.322 1.00 0.00 H new ATOM 0 HG21 THR A 199 34.475 8.596 -17.859 1.00 0.00 H new ATOM 0 HG22 THR A 199 33.833 9.928 -16.868 1.00 0.00 H new ATOM 0 HG23 THR A 199 33.373 8.248 -16.506 1.00 0.00 H new ATOM 1204 N GLU A 200 30.206 11.074 -19.132 1.00 0.00 N ATOM 1205 CA GLU A 200 29.227 11.510 -20.121 1.00 0.00 C ATOM 1206 C GLU A 200 29.059 10.462 -21.218 1.00 0.00 C ATOM 1207 O GLU A 200 28.004 10.369 -21.847 1.00 0.00 O ATOM 1208 CB GLU A 200 29.650 12.845 -20.736 1.00 0.00 C ATOM 1209 CG GLU A 200 30.810 12.727 -21.710 1.00 0.00 C ATOM 1210 CD GLU A 200 31.374 14.075 -22.112 1.00 0.00 C ATOM 1211 OE1 GLU A 200 30.676 14.819 -22.833 1.00 0.00 O ATOM 1212 OE2 GLU A 200 32.514 14.387 -21.708 1.00 0.00 O ATOM 0 H GLU A 200 30.975 11.727 -18.984 1.00 0.00 H new ATOM 0 HA GLU A 200 28.270 11.639 -19.615 1.00 0.00 H new ATOM 0 HB2 GLU A 200 28.796 13.284 -21.252 1.00 0.00 H new ATOM 0 HB3 GLU A 200 29.927 13.532 -19.936 1.00 0.00 H new ATOM 0 HG2 GLU A 200 31.600 12.127 -21.257 1.00 0.00 H new ATOM 0 HG3 GLU A 200 30.478 12.196 -22.602 1.00 0.00 H new ATOM 1219 N THR A 201 30.106 9.676 -21.443 1.00 0.00 N ATOM 1220 CA THR A 201 30.077 8.637 -22.464 1.00 0.00 C ATOM 1221 C THR A 201 29.408 7.371 -21.941 1.00 0.00 C ATOM 1222 O THR A 201 28.577 6.769 -22.623 1.00 0.00 O ATOM 1223 CB THR A 201 31.495 8.289 -22.954 1.00 0.00 C ATOM 1224 OG1 THR A 201 32.144 9.465 -23.451 1.00 0.00 O ATOM 1225 CG2 THR A 201 31.447 7.231 -24.045 1.00 0.00 C ATOM 0 H THR A 201 30.986 9.739 -20.931 1.00 0.00 H new ATOM 0 HA THR A 201 29.499 9.032 -23.300 1.00 0.00 H new ATOM 0 HB THR A 201 32.059 7.892 -22.110 1.00 0.00 H new ATOM 0 HG1 THR A 201 33.046 9.236 -23.759 1.00 0.00 H new ATOM 0 HG21 THR A 201 32.460 7.002 -24.375 1.00 0.00 H new ATOM 0 HG22 THR A 201 30.979 6.327 -23.655 1.00 0.00 H new ATOM 0 HG23 THR A 201 30.867 7.604 -24.889 1.00 0.00 H new ATOM 1233 N ASP A 202 29.774 6.972 -20.728 1.00 0.00 N ATOM 1234 CA ASP A 202 29.207 5.777 -20.113 1.00 0.00 C ATOM 1235 C ASP A 202 27.710 5.947 -19.875 1.00 0.00 C ATOM 1236 O ASP A 202 26.916 5.059 -20.187 1.00 0.00 O ATOM 1237 CB ASP A 202 29.915 5.473 -18.792 1.00 0.00 C ATOM 1238 CG ASP A 202 31.315 4.928 -18.997 1.00 0.00 C ATOM 1239 OD1 ASP A 202 31.692 4.686 -20.162 1.00 0.00 O ATOM 1240 OD2 ASP A 202 32.033 4.745 -17.992 1.00 0.00 O ATOM 0 H ASP A 202 30.460 7.458 -20.151 1.00 0.00 H new ATOM 0 HA ASP A 202 29.355 4.941 -20.796 1.00 0.00 H new ATOM 0 HB2 ASP A 202 29.966 6.382 -18.193 1.00 0.00 H new ATOM 0 HB3 ASP A 202 29.327 4.751 -18.226 1.00 0.00 H new ATOM 1245 N VAL A 203 27.330 7.093 -19.319 1.00 0.00 N ATOM 1246 CA VAL A 203 25.928 7.379 -19.038 1.00 0.00 C ATOM 1247 C VAL A 203 25.083 7.277 -20.303 1.00 0.00 C ATOM 1248 O VAL A 203 23.927 6.855 -20.258 1.00 0.00 O ATOM 1249 CB VAL A 203 25.753 8.783 -18.430 1.00 0.00 C ATOM 1250 CG1 VAL A 203 26.267 9.848 -19.386 1.00 0.00 C ATOM 1251 CG2 VAL A 203 24.295 9.032 -18.075 1.00 0.00 C ATOM 0 H VAL A 203 27.974 7.839 -19.054 1.00 0.00 H new ATOM 0 HA VAL A 203 25.591 6.634 -18.317 1.00 0.00 H new ATOM 0 HB VAL A 203 26.341 8.838 -17.514 1.00 0.00 H new ATOM 0 HG11 VAL A 203 26.135 10.833 -18.939 1.00 0.00 H new ATOM 0 HG12 VAL A 203 27.325 9.679 -19.584 1.00 0.00 H new ATOM 0 HG13 VAL A 203 25.710 9.797 -20.321 1.00 0.00 H new ATOM 0 HG21 VAL A 203 24.190 10.029 -17.647 1.00 0.00 H new ATOM 0 HG22 VAL A 203 23.684 8.957 -18.974 1.00 0.00 H new ATOM 0 HG23 VAL A 203 23.965 8.289 -17.349 1.00 0.00 H new ATOM 1261 N LYS A 204 25.667 7.664 -21.432 1.00 0.00 N ATOM 1262 CA LYS A 204 24.970 7.614 -22.711 1.00 0.00 C ATOM 1263 C LYS A 204 24.618 6.178 -23.084 1.00 0.00 C ATOM 1264 O LYS A 204 23.471 5.875 -23.412 1.00 0.00 O ATOM 1265 CB LYS A 204 25.831 8.241 -23.810 1.00 0.00 C ATOM 1266 CG LYS A 204 25.718 9.754 -23.882 1.00 0.00 C ATOM 1267 CD LYS A 204 24.856 10.193 -25.054 1.00 0.00 C ATOM 1268 CE LYS A 204 25.706 10.618 -26.242 1.00 0.00 C ATOM 1269 NZ LYS A 204 25.142 10.129 -27.531 1.00 0.00 N ATOM 0 H LYS A 204 26.623 8.016 -21.487 1.00 0.00 H new ATOM 0 HA LYS A 204 24.045 8.182 -22.614 1.00 0.00 H new ATOM 0 HB2 LYS A 204 26.873 7.970 -23.642 1.00 0.00 H new ATOM 0 HB3 LYS A 204 25.543 7.817 -24.772 1.00 0.00 H new ATOM 0 HG2 LYS A 204 25.291 10.133 -22.953 1.00 0.00 H new ATOM 0 HG3 LYS A 204 26.712 10.190 -23.977 1.00 0.00 H new ATOM 0 HD2 LYS A 204 24.198 9.376 -25.350 1.00 0.00 H new ATOM 0 HD3 LYS A 204 24.217 11.021 -24.747 1.00 0.00 H new ATOM 0 HE2 LYS A 204 25.778 11.705 -26.266 1.00 0.00 H new ATOM 0 HE3 LYS A 204 26.719 10.234 -26.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 204 25.750 10.439 -28.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 204 25.097 9.090 -27.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 204 24.185 10.516 -27.660 1.00 0.00 H new ATOM 1283 N MET A 205 25.612 5.297 -23.029 1.00 0.00 N ATOM 1284 CA MET A 205 25.405 3.891 -23.359 1.00 0.00 C ATOM 1285 C MET A 205 24.399 3.252 -22.407 1.00 0.00 C ATOM 1286 O MET A 205 23.644 2.361 -22.795 1.00 0.00 O ATOM 1287 CB MET A 205 26.732 3.132 -23.301 1.00 0.00 C ATOM 1288 CG MET A 205 27.780 3.667 -24.264 1.00 0.00 C ATOM 1289 SD MET A 205 29.390 3.891 -23.483 1.00 0.00 S ATOM 1290 CE MET A 205 30.226 2.392 -23.995 1.00 0.00 C ATOM 0 H MET A 205 26.567 5.531 -22.759 1.00 0.00 H new ATOM 0 HA MET A 205 25.006 3.836 -24.372 1.00 0.00 H new ATOM 0 HB2 MET A 205 27.125 3.180 -22.285 1.00 0.00 H new ATOM 0 HB3 MET A 205 26.550 2.080 -23.522 1.00 0.00 H new ATOM 0 HG2 MET A 205 27.880 2.980 -25.104 1.00 0.00 H new ATOM 0 HG3 MET A 205 27.442 4.620 -24.670 1.00 0.00 H new ATOM 0 HE1 MET A 205 31.037 2.172 -23.301 1.00 0.00 H new ATOM 0 HE2 MET A 205 29.518 1.564 -23.999 1.00 0.00 H new ATOM 0 HE3 MET A 205 30.633 2.526 -24.997 1.00 0.00 H new ATOM 1300 N MET A 206 24.395 3.713 -21.160 1.00 0.00 N ATOM 1301 CA MET A 206 23.480 3.185 -20.155 1.00 0.00 C ATOM 1302 C MET A 206 22.051 3.645 -20.425 1.00 0.00 C ATOM 1303 O MET A 206 21.119 2.842 -20.415 1.00 0.00 O ATOM 1304 CB MET A 206 23.914 3.629 -18.756 1.00 0.00 C ATOM 1305 CG MET A 206 22.884 3.336 -17.678 1.00 0.00 C ATOM 1306 SD MET A 206 23.636 2.940 -16.088 1.00 0.00 S ATOM 1307 CE MET A 206 24.547 4.447 -15.760 1.00 0.00 C ATOM 0 H MET A 206 25.014 4.450 -20.822 1.00 0.00 H new ATOM 0 HA MET A 206 23.509 2.097 -20.209 1.00 0.00 H new ATOM 0 HB2 MET A 206 24.848 3.130 -18.499 1.00 0.00 H new ATOM 0 HB3 MET A 206 24.118 4.700 -18.771 1.00 0.00 H new ATOM 0 HG2 MET A 206 22.230 4.200 -17.561 1.00 0.00 H new ATOM 0 HG3 MET A 206 22.257 2.503 -17.997 1.00 0.00 H new ATOM 0 HE1 MET A 206 24.463 4.700 -14.703 1.00 0.00 H new ATOM 0 HE2 MET A 206 25.596 4.301 -16.016 1.00 0.00 H new ATOM 0 HE3 MET A 206 24.136 5.258 -16.361 1.00 0.00 H new ATOM 1317 N GLU A 207 21.886 4.942 -20.666 1.00 0.00 N ATOM 1318 CA GLU A 207 20.570 5.507 -20.938 1.00 0.00 C ATOM 1319 C GLU A 207 19.909 4.802 -22.119 1.00 0.00 C ATOM 1320 O GLU A 207 18.683 4.752 -22.218 1.00 0.00 O ATOM 1321 CB GLU A 207 20.683 7.006 -21.224 1.00 0.00 C ATOM 1322 CG GLU A 207 21.074 7.830 -20.008 1.00 0.00 C ATOM 1323 CD GLU A 207 19.972 8.772 -19.563 1.00 0.00 C ATOM 1324 OE1 GLU A 207 18.916 8.281 -19.114 1.00 0.00 O ATOM 1325 OE2 GLU A 207 20.167 10.002 -19.665 1.00 0.00 O ATOM 0 H GLU A 207 22.647 5.621 -20.678 1.00 0.00 H new ATOM 0 HA GLU A 207 19.950 5.359 -20.054 1.00 0.00 H new ATOM 0 HB2 GLU A 207 21.421 7.163 -22.011 1.00 0.00 H new ATOM 0 HB3 GLU A 207 19.728 7.368 -21.606 1.00 0.00 H new ATOM 0 HG2 GLU A 207 21.328 7.160 -19.186 1.00 0.00 H new ATOM 0 HG3 GLU A 207 21.970 8.407 -20.238 1.00 0.00 H new ATOM 1332 N ARG A 208 20.730 4.259 -23.011 1.00 0.00 N ATOM 1333 CA ARG A 208 20.226 3.558 -24.186 1.00 0.00 C ATOM 1334 C ARG A 208 19.604 2.220 -23.796 1.00 0.00 C ATOM 1335 O ARG A 208 18.557 1.834 -24.315 1.00 0.00 O ATOM 1336 CB ARG A 208 21.353 3.334 -25.195 1.00 0.00 C ATOM 1337 CG ARG A 208 20.926 3.535 -26.640 1.00 0.00 C ATOM 1338 CD ARG A 208 21.957 2.977 -27.609 1.00 0.00 C ATOM 1339 NE ARG A 208 21.333 2.283 -28.732 1.00 0.00 N ATOM 1340 CZ ARG A 208 22.000 1.873 -29.805 1.00 0.00 C ATOM 1341 NH1 ARG A 208 23.306 2.085 -29.899 1.00 0.00 N ATOM 1342 NH2 ARG A 208 21.362 1.248 -30.787 1.00 0.00 N ATOM 0 H ARG A 208 21.747 4.291 -22.943 1.00 0.00 H new ATOM 0 HA ARG A 208 19.455 4.177 -24.645 1.00 0.00 H new ATOM 0 HB2 ARG A 208 22.172 4.016 -24.969 1.00 0.00 H new ATOM 0 HB3 ARG A 208 21.739 2.322 -25.077 1.00 0.00 H new ATOM 0 HG2 ARG A 208 19.966 3.047 -26.808 1.00 0.00 H new ATOM 0 HG3 ARG A 208 20.781 4.598 -26.833 1.00 0.00 H new ATOM 0 HD2 ARG A 208 22.578 3.790 -27.985 1.00 0.00 H new ATOM 0 HD3 ARG A 208 22.617 2.290 -27.080 1.00 0.00 H new ATOM 0 HE ARG A 208 20.330 2.103 -28.690 1.00 0.00 H new ATOM 0 HH11 ARG A 208 23.800 2.564 -29.146 1.00 0.00 H new ATOM 0 HH12 ARG A 208 23.816 1.769 -30.724 1.00 0.00 H new ATOM 0 HH21 ARG A 208 20.358 1.082 -30.718 1.00 0.00 H new ATOM 0 HH22 ARG A 208 21.876 0.934 -31.610 1.00 0.00 H new ATOM 1356 N VAL A 209 20.258 1.515 -22.877 1.00 0.00 N ATOM 1357 CA VAL A 209 19.770 0.220 -22.417 1.00 0.00 C ATOM 1358 C VAL A 209 18.473 0.370 -21.630 1.00 0.00 C ATOM 1359 O VAL A 209 17.528 -0.396 -21.818 1.00 0.00 O ATOM 1360 CB VAL A 209 20.814 -0.491 -21.536 1.00 0.00 C ATOM 1361 CG1 VAL A 209 20.351 -1.899 -21.192 1.00 0.00 C ATOM 1362 CG2 VAL A 209 22.167 -0.520 -22.230 1.00 0.00 C ATOM 0 H VAL A 209 21.126 1.819 -22.437 1.00 0.00 H new ATOM 0 HA VAL A 209 19.584 -0.383 -23.306 1.00 0.00 H new ATOM 0 HB VAL A 209 20.921 0.068 -20.607 1.00 0.00 H new ATOM 0 HG11 VAL A 209 21.101 -2.387 -20.569 1.00 0.00 H new ATOM 0 HG12 VAL A 209 19.406 -1.849 -20.651 1.00 0.00 H new ATOM 0 HG13 VAL A 209 20.214 -2.471 -22.110 1.00 0.00 H new ATOM 0 HG21 VAL A 209 22.892 -1.026 -21.593 1.00 0.00 H new ATOM 0 HG22 VAL A 209 22.079 -1.055 -23.176 1.00 0.00 H new ATOM 0 HG23 VAL A 209 22.501 0.500 -22.420 1.00 0.00 H new ATOM 1372 N VAL A 210 18.435 1.363 -20.747 1.00 0.00 N ATOM 1373 CA VAL A 210 17.253 1.616 -19.931 1.00 0.00 C ATOM 1374 C VAL A 210 16.028 1.868 -20.803 1.00 0.00 C ATOM 1375 O VAL A 210 14.909 1.507 -20.438 1.00 0.00 O ATOM 1376 CB VAL A 210 17.462 2.822 -18.997 1.00 0.00 C ATOM 1377 CG1 VAL A 210 16.276 2.985 -18.060 1.00 0.00 C ATOM 1378 CG2 VAL A 210 18.756 2.668 -18.211 1.00 0.00 C ATOM 0 H VAL A 210 19.209 2.005 -20.578 1.00 0.00 H new ATOM 0 HA VAL A 210 17.089 0.724 -19.327 1.00 0.00 H new ATOM 0 HB VAL A 210 17.538 3.722 -19.607 1.00 0.00 H new ATOM 0 HG11 VAL A 210 16.443 3.842 -17.408 1.00 0.00 H new ATOM 0 HG12 VAL A 210 15.370 3.144 -18.644 1.00 0.00 H new ATOM 0 HG13 VAL A 210 16.164 2.085 -17.455 1.00 0.00 H new ATOM 0 HG21 VAL A 210 18.888 3.529 -17.556 1.00 0.00 H new ATOM 0 HG22 VAL A 210 18.711 1.759 -17.611 1.00 0.00 H new ATOM 0 HG23 VAL A 210 19.596 2.606 -18.902 1.00 0.00 H new ATOM 1388 N GLU A 211 16.247 2.491 -21.956 1.00 0.00 N ATOM 1389 CA GLU A 211 15.160 2.793 -22.880 1.00 0.00 C ATOM 1390 C GLU A 211 14.623 1.517 -23.523 1.00 0.00 C ATOM 1391 O GLU A 211 13.424 1.242 -23.472 1.00 0.00 O ATOM 1392 CB GLU A 211 15.635 3.762 -23.964 1.00 0.00 C ATOM 1393 CG GLU A 211 14.619 3.983 -25.072 1.00 0.00 C ATOM 1394 CD GLU A 211 13.302 4.529 -24.556 1.00 0.00 C ATOM 1395 OE1 GLU A 211 13.330 5.379 -23.641 1.00 0.00 O ATOM 1396 OE2 GLU A 211 12.244 4.107 -25.067 1.00 0.00 O ATOM 0 H GLU A 211 17.167 2.797 -22.273 1.00 0.00 H new ATOM 0 HA GLU A 211 14.355 3.261 -22.313 1.00 0.00 H new ATOM 0 HB2 GLU A 211 15.872 4.721 -23.503 1.00 0.00 H new ATOM 0 HB3 GLU A 211 16.558 3.381 -24.400 1.00 0.00 H new ATOM 0 HG2 GLU A 211 15.032 4.675 -25.806 1.00 0.00 H new ATOM 0 HG3 GLU A 211 14.440 3.040 -25.589 1.00 0.00 H new ATOM 1403 N GLN A 212 15.519 0.744 -24.128 1.00 0.00 N ATOM 1404 CA GLN A 212 15.135 -0.501 -24.782 1.00 0.00 C ATOM 1405 C GLN A 212 14.507 -1.469 -23.785 1.00 0.00 C ATOM 1406 O GLN A 212 13.604 -2.230 -24.129 1.00 0.00 O ATOM 1407 CB GLN A 212 16.352 -1.150 -25.444 1.00 0.00 C ATOM 1408 CG GLN A 212 16.156 -1.443 -26.923 1.00 0.00 C ATOM 1409 CD GLN A 212 16.912 -2.675 -27.379 1.00 0.00 C ATOM 1410 OE1 GLN A 212 17.983 -2.574 -27.979 1.00 0.00 O ATOM 1411 NE2 GLN A 212 16.359 -3.849 -27.096 1.00 0.00 N ATOM 0 H GLN A 212 16.515 0.958 -24.179 1.00 0.00 H new ATOM 0 HA GLN A 212 14.395 -0.267 -25.548 1.00 0.00 H new ATOM 0 HB2 GLN A 212 17.214 -0.494 -25.323 1.00 0.00 H new ATOM 0 HB3 GLN A 212 16.584 -2.080 -24.925 1.00 0.00 H new ATOM 0 HG2 GLN A 212 15.093 -1.578 -27.125 1.00 0.00 H new ATOM 0 HG3 GLN A 212 16.485 -0.583 -27.507 1.00 0.00 H new ATOM 0 HE21 GLN A 212 15.470 -3.887 -26.597 1.00 0.00 H new ATOM 0 HE22 GLN A 212 16.823 -4.713 -27.378 1.00 0.00 H new ATOM 1420 N MET A 213 14.993 -1.434 -22.548 1.00 0.00 N ATOM 1421 CA MET A 213 14.478 -2.308 -21.501 1.00 0.00 C ATOM 1422 C MET A 213 13.043 -1.938 -21.140 1.00 0.00 C ATOM 1423 O MET A 213 12.238 -2.801 -20.790 1.00 0.00 O ATOM 1424 CB MET A 213 15.366 -2.227 -20.257 1.00 0.00 C ATOM 1425 CG MET A 213 16.577 -3.144 -20.314 1.00 0.00 C ATOM 1426 SD MET A 213 17.296 -3.446 -18.688 1.00 0.00 S ATOM 1427 CE MET A 213 17.927 -1.817 -18.290 1.00 0.00 C ATOM 0 H MET A 213 15.742 -0.810 -22.247 1.00 0.00 H new ATOM 0 HA MET A 213 14.486 -3.330 -21.879 1.00 0.00 H new ATOM 0 HB2 MET A 213 15.705 -1.199 -20.129 1.00 0.00 H new ATOM 0 HB3 MET A 213 14.771 -2.478 -19.379 1.00 0.00 H new ATOM 0 HG2 MET A 213 16.287 -4.095 -20.761 1.00 0.00 H new ATOM 0 HG3 MET A 213 17.332 -2.703 -20.965 1.00 0.00 H new ATOM 0 HE1 MET A 213 18.921 -1.909 -17.852 1.00 0.00 H new ATOM 0 HE2 MET A 213 17.985 -1.217 -19.198 1.00 0.00 H new ATOM 0 HE3 MET A 213 17.260 -1.333 -17.577 1.00 0.00 H new ATOM 1437 N CYS A 214 12.729 -0.650 -21.228 1.00 0.00 N ATOM 1438 CA CYS A 214 11.391 -0.165 -20.910 1.00 0.00 C ATOM 1439 C CYS A 214 10.356 -0.766 -21.856 1.00 0.00 C ATOM 1440 O CYS A 214 9.202 -0.974 -21.479 1.00 0.00 O ATOM 1441 CB CYS A 214 11.347 1.362 -20.991 1.00 0.00 C ATOM 1442 SG CYS A 214 10.800 2.173 -19.455 1.00 0.00 S ATOM 0 H CYS A 214 13.383 0.077 -21.517 1.00 0.00 H new ATOM 0 HA CYS A 214 11.151 -0.475 -19.893 1.00 0.00 H new ATOM 0 HB2 CYS A 214 12.340 1.730 -21.250 1.00 0.00 H new ATOM 0 HB3 CYS A 214 10.678 1.653 -21.801 1.00 0.00 H new ATOM 0 HG CYS A 214 10.998 3.455 -19.547 1.00 0.00 H new ATOM 1447 N ILE A 215 10.777 -1.043 -23.086 1.00 0.00 N ATOM 1448 CA ILE A 215 9.887 -1.621 -24.085 1.00 0.00 C ATOM 1449 C ILE A 215 9.595 -3.086 -23.779 1.00 0.00 C ATOM 1450 O ILE A 215 8.509 -3.588 -24.069 1.00 0.00 O ATOM 1451 CB ILE A 215 10.484 -1.513 -25.501 1.00 0.00 C ATOM 1452 CG1 ILE A 215 10.897 -0.069 -25.795 1.00 0.00 C ATOM 1453 CG2 ILE A 215 9.484 -2.005 -26.536 1.00 0.00 C ATOM 1454 CD1 ILE A 215 9.737 0.902 -25.800 1.00 0.00 C ATOM 0 H ILE A 215 11.728 -0.876 -23.414 1.00 0.00 H new ATOM 0 HA ILE A 215 8.958 -1.052 -24.047 1.00 0.00 H new ATOM 0 HB ILE A 215 11.372 -2.143 -25.554 1.00 0.00 H new ATOM 0 HG12 ILE A 215 11.625 0.251 -25.050 1.00 0.00 H new ATOM 0 HG13 ILE A 215 11.395 -0.032 -26.764 1.00 0.00 H new ATOM 0 HG21 ILE A 215 9.920 -1.922 -27.531 1.00 0.00 H new ATOM 0 HG22 ILE A 215 9.234 -3.047 -26.334 1.00 0.00 H new ATOM 0 HG23 ILE A 215 8.580 -1.399 -26.485 1.00 0.00 H new ATOM 0 HD11 ILE A 215 10.104 1.906 -26.015 1.00 0.00 H new ATOM 0 HD12 ILE A 215 9.019 0.607 -26.565 1.00 0.00 H new ATOM 0 HD13 ILE A 215 9.252 0.894 -24.824 1.00 0.00 H new ATOM 1466 N THR A 216 10.572 -3.768 -23.190 1.00 0.00 N ATOM 1467 CA THR A 216 10.421 -5.175 -22.843 1.00 0.00 C ATOM 1468 C THR A 216 9.338 -5.368 -21.788 1.00 0.00 C ATOM 1469 O THR A 216 8.604 -6.356 -21.813 1.00 0.00 O ATOM 1470 CB THR A 216 11.742 -5.771 -22.322 1.00 0.00 C ATOM 1471 OG1 THR A 216 12.779 -5.587 -23.292 1.00 0.00 O ATOM 1472 CG2 THR A 216 11.584 -7.253 -22.016 1.00 0.00 C ATOM 0 H THR A 216 11.477 -3.368 -22.943 1.00 0.00 H new ATOM 0 HA THR A 216 10.132 -5.696 -23.756 1.00 0.00 H new ATOM 0 HB THR A 216 12.010 -5.253 -21.401 1.00 0.00 H new ATOM 0 HG1 THR A 216 13.616 -5.967 -22.952 1.00 0.00 H new ATOM 0 HG21 THR A 216 12.530 -7.652 -21.650 1.00 0.00 H new ATOM 0 HG22 THR A 216 10.815 -7.388 -21.256 1.00 0.00 H new ATOM 0 HG23 THR A 216 11.294 -7.783 -22.923 1.00 0.00 H new ATOM 1480 N GLN A 217 9.245 -4.419 -20.862 1.00 0.00 N ATOM 1481 CA GLN A 217 8.250 -4.486 -19.798 1.00 0.00 C ATOM 1482 C GLN A 217 6.852 -4.692 -20.371 1.00 0.00 C ATOM 1483 O GLN A 217 5.996 -5.309 -19.737 1.00 0.00 O ATOM 1484 CB GLN A 217 8.287 -3.209 -18.956 1.00 0.00 C ATOM 1485 CG GLN A 217 9.353 -3.224 -17.873 1.00 0.00 C ATOM 1486 CD GLN A 217 8.992 -4.127 -16.711 1.00 0.00 C ATOM 1487 OE1 GLN A 217 7.824 -4.464 -16.511 1.00 0.00 O ATOM 1488 NE2 GLN A 217 9.994 -4.525 -15.936 1.00 0.00 N ATOM 0 H GLN A 217 9.846 -3.595 -20.827 1.00 0.00 H new ATOM 0 HA GLN A 217 8.491 -5.339 -19.163 1.00 0.00 H new ATOM 0 HB2 GLN A 217 8.460 -2.356 -19.612 1.00 0.00 H new ATOM 0 HB3 GLN A 217 7.312 -3.062 -18.492 1.00 0.00 H new ATOM 0 HG2 GLN A 217 10.299 -3.553 -18.304 1.00 0.00 H new ATOM 0 HG3 GLN A 217 9.506 -2.209 -17.506 1.00 0.00 H new ATOM 0 HE21 GLN A 217 10.947 -4.222 -16.138 1.00 0.00 H new ATOM 0 HE22 GLN A 217 9.811 -5.134 -15.138 1.00 0.00 H new ATOM 1497 N TYR A 218 6.628 -4.172 -21.572 1.00 0.00 N ATOM 1498 CA TYR A 218 5.333 -4.296 -22.230 1.00 0.00 C ATOM 1499 C TYR A 218 5.330 -5.464 -23.212 1.00 0.00 C ATOM 1500 O TYR A 218 6.094 -5.477 -24.177 1.00 0.00 O ATOM 1501 CB TYR A 218 4.981 -2.999 -22.960 1.00 0.00 C ATOM 1502 CG TYR A 218 4.855 -1.803 -22.044 1.00 0.00 C ATOM 1503 CD1 TYR A 218 3.708 -1.602 -21.286 1.00 0.00 C ATOM 1504 CD2 TYR A 218 5.882 -0.874 -21.937 1.00 0.00 C ATOM 1505 CE1 TYR A 218 3.588 -0.510 -20.448 1.00 0.00 C ATOM 1506 CE2 TYR A 218 5.772 0.220 -21.100 1.00 0.00 C ATOM 1507 CZ TYR A 218 4.623 0.398 -20.358 1.00 0.00 C ATOM 1508 OH TYR A 218 4.508 1.487 -19.525 1.00 0.00 O ATOM 0 H TYR A 218 7.327 -3.660 -22.110 1.00 0.00 H new ATOM 0 HA TYR A 218 4.582 -4.488 -21.464 1.00 0.00 H new ATOM 0 HB2 TYR A 218 5.747 -2.794 -23.708 1.00 0.00 H new ATOM 0 HB3 TYR A 218 4.041 -3.137 -23.495 1.00 0.00 H new ATOM 0 HD1 TYR A 218 2.896 -2.311 -21.353 1.00 0.00 H new ATOM 0 HD2 TYR A 218 6.782 -1.009 -22.518 1.00 0.00 H new ATOM 0 HE1 TYR A 218 2.689 -0.368 -19.867 1.00 0.00 H new ATOM 0 HE2 TYR A 218 6.581 0.932 -21.027 1.00 0.00 H new ATOM 0 HH TYR A 218 5.324 2.027 -19.578 1.00 0.00 H new