USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=26 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 Set 1.1: A 157 TYR OH : rot 106:sc= 0.947 USER MOD Set 1.2: A 159 ASN :FLIP amide:sc= 0.528 F(o=-1.9,f=1.5) USER MOD Single : A 134 MET CE :methyl -159:sc= -0.0601 (180deg=-0.455) USER MOD Single : A 135 SER OG : rot 180:sc= -0.0184 USER MOD Single : A 140 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.32) USER MOD Single : A 143 SER OG : rot 180:sc= 0 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 -140:sc= -2.22! USER MOD Single : A 153 ASN : amide:sc= -0.834 K(o=-0.83,f=-2.4!) USER MOD Single : A 154 MET CE :methyl -163:sc= -0.106 (180deg=-0.638) USER MOD Single : A 155 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 160 GLN : amide:sc= -0.679 X(o=-0.68,f=-0.33) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= 0.178 X(o=0.18,f=0) USER MOD Single : A 177 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 178 ASN : amide:sc= -0.196 K(o=-0.2,f=-1.1) USER MOD Single : A 179 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 183 THR OG1 : rot 180:sc= 0.0779 USER MOD Single : A 185 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0127) USER MOD Single : A 186 GLN : amide:sc= -0.785 K(o=-0.79,f=-2.2) USER MOD Single : A 187 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 THR OG1 : rot 180:sc= 0 USER MOD Single : A 193 THR OG1 : rot 76:sc= 0.0437 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 ASN : amide:sc= -0.0263 X(o=-0.026,f=0) USER MOD Single : A 199 THR OG1 : rot 180:sc= -0.196 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 -159:sc= -0.265 (180deg=-0.633) USER MOD Single : A 206 MET CE :methyl -130:sc=-0.00404 (180deg=-0.211) USER MOD Single : A 212 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 213 MET CE :methyl -179:sc= -0.656 (180deg=-0.673) USER MOD Single : A 214 CYS SG : rot -157:sc= -0.126 USER MOD Single : A 216 THR OG1 : rot 86:sc= 0.964 USER MOD Single : A 217 GLN : amide:sc= -0.632 K(o=-0.63,f=-1.5) USER MOD Single : A 218 TYR OH : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N ALA A 133 12.288 -8.083 -15.402 1.00 0.00 N ATOM 109 CA ALA A 133 13.419 -8.073 -16.322 1.00 0.00 C ATOM 110 C ALA A 133 13.033 -8.668 -17.672 1.00 0.00 C ATOM 111 O ALA A 133 11.925 -9.175 -17.843 1.00 0.00 O ATOM 112 CB ALA A 133 14.592 -8.834 -15.723 1.00 0.00 C ATOM 0 HA ALA A 133 13.717 -7.037 -16.483 1.00 0.00 H new ATOM 0 HB1 ALA A 133 15.430 -8.819 -16.420 1.00 0.00 H new ATOM 0 HB2 ALA A 133 14.891 -8.363 -14.786 1.00 0.00 H new ATOM 0 HB3 ALA A 133 14.297 -9.866 -15.533 1.00 0.00 H new ATOM 118 N MET A 134 13.954 -8.601 -18.628 1.00 0.00 N ATOM 119 CA MET A 134 13.709 -9.134 -19.963 1.00 0.00 C ATOM 120 C MET A 134 14.772 -10.159 -20.342 1.00 0.00 C ATOM 121 O MET A 134 15.773 -10.318 -19.643 1.00 0.00 O ATOM 122 CB MET A 134 13.686 -8.001 -20.991 1.00 0.00 C ATOM 123 CG MET A 134 12.928 -6.770 -20.522 1.00 0.00 C ATOM 124 SD MET A 134 11.222 -7.135 -20.069 1.00 0.00 S ATOM 125 CE MET A 134 11.016 -6.076 -18.639 1.00 0.00 C ATOM 0 H MET A 134 14.876 -8.183 -18.503 1.00 0.00 H new ATOM 0 HA MET A 134 12.738 -9.629 -19.957 1.00 0.00 H new ATOM 0 HB2 MET A 134 14.711 -7.717 -21.230 1.00 0.00 H new ATOM 0 HB3 MET A 134 13.234 -8.367 -21.913 1.00 0.00 H new ATOM 0 HG2 MET A 134 13.443 -6.336 -19.665 1.00 0.00 H new ATOM 0 HG3 MET A 134 12.937 -6.020 -21.312 1.00 0.00 H new ATOM 0 HE1 MET A 134 10.187 -6.441 -18.032 1.00 0.00 H new ATOM 0 HE2 MET A 134 11.931 -6.083 -18.046 1.00 0.00 H new ATOM 0 HE3 MET A 134 10.805 -5.058 -18.967 1.00 0.00 H new ATOM 135 N SER A 135 14.549 -10.854 -21.453 1.00 0.00 N ATOM 136 CA SER A 135 15.487 -11.867 -21.923 1.00 0.00 C ATOM 137 C SER A 135 16.465 -11.275 -22.933 1.00 0.00 C ATOM 138 O SER A 135 16.150 -10.309 -23.627 1.00 0.00 O ATOM 139 CB SER A 135 14.731 -13.038 -22.555 1.00 0.00 C ATOM 140 OG SER A 135 15.503 -13.655 -23.569 1.00 0.00 O ATOM 0 H SER A 135 13.727 -10.734 -22.045 1.00 0.00 H new ATOM 0 HA SER A 135 16.053 -12.229 -21.065 1.00 0.00 H new ATOM 0 HB2 SER A 135 14.481 -13.770 -21.787 1.00 0.00 H new ATOM 0 HB3 SER A 135 13.790 -12.683 -22.975 1.00 0.00 H new ATOM 0 HG SER A 135 14.999 -14.401 -23.956 1.00 0.00 H new ATOM 146 N ARG A 136 17.655 -11.862 -23.008 1.00 0.00 N ATOM 147 CA ARG A 136 18.682 -11.393 -23.931 1.00 0.00 C ATOM 148 C ARG A 136 19.132 -9.980 -23.570 1.00 0.00 C ATOM 149 O ARG A 136 18.762 -9.000 -24.218 1.00 0.00 O ATOM 150 CB ARG A 136 18.158 -11.422 -25.367 1.00 0.00 C ATOM 151 CG ARG A 136 19.248 -11.610 -26.410 1.00 0.00 C ATOM 152 CD ARG A 136 18.674 -12.080 -27.737 1.00 0.00 C ATOM 153 NE ARG A 136 17.544 -11.260 -28.166 1.00 0.00 N ATOM 154 CZ ARG A 136 17.669 -10.020 -28.626 1.00 0.00 C ATOM 155 NH1 ARG A 136 18.867 -9.460 -28.717 1.00 0.00 N ATOM 156 NH2 ARG A 136 16.593 -9.338 -28.998 1.00 0.00 N ATOM 0 H ARG A 136 17.932 -12.663 -22.441 1.00 0.00 H new ATOM 0 HA ARG A 136 19.540 -12.061 -23.851 1.00 0.00 H new ATOM 0 HB2 ARG A 136 17.432 -12.229 -25.463 1.00 0.00 H new ATOM 0 HB3 ARG A 136 17.629 -10.491 -25.571 1.00 0.00 H new ATOM 0 HG2 ARG A 136 19.780 -10.670 -26.555 1.00 0.00 H new ATOM 0 HG3 ARG A 136 19.976 -12.336 -26.050 1.00 0.00 H new ATOM 0 HD2 ARG A 136 19.453 -12.051 -28.499 1.00 0.00 H new ATOM 0 HD3 ARG A 136 18.355 -13.118 -27.646 1.00 0.00 H new ATOM 0 HE ARG A 136 16.608 -11.661 -28.109 1.00 0.00 H new ATOM 0 HH11 ARG A 136 19.697 -9.981 -28.433 1.00 0.00 H new ATOM 0 HH12 ARG A 136 18.959 -8.508 -29.071 1.00 0.00 H new ATOM 0 HH21 ARG A 136 15.670 -9.766 -28.931 1.00 0.00 H new ATOM 0 HH22 ARG A 136 16.689 -8.386 -29.351 1.00 0.00 H new ATOM 170 N PRO A 137 19.950 -9.871 -22.513 1.00 0.00 N ATOM 171 CA PRO A 137 20.468 -8.583 -22.042 1.00 0.00 C ATOM 172 C PRO A 137 21.479 -7.977 -23.010 1.00 0.00 C ATOM 173 O PRO A 137 21.640 -6.758 -23.071 1.00 0.00 O ATOM 174 CB PRO A 137 21.144 -8.936 -20.715 1.00 0.00 C ATOM 175 CG PRO A 137 21.505 -10.376 -20.845 1.00 0.00 C ATOM 176 CD PRO A 137 20.432 -10.997 -21.695 1.00 0.00 C ATOM 0 HA PRO A 137 19.680 -7.836 -21.949 1.00 0.00 H new ATOM 0 HB2 PRO A 137 22.027 -8.320 -20.545 1.00 0.00 H new ATOM 0 HB3 PRO A 137 20.473 -8.771 -19.872 1.00 0.00 H new ATOM 0 HG2 PRO A 137 22.485 -10.492 -21.307 1.00 0.00 H new ATOM 0 HG3 PRO A 137 21.555 -10.856 -19.867 1.00 0.00 H new ATOM 0 HD2 PRO A 137 20.826 -11.803 -22.314 1.00 0.00 H new ATOM 0 HD3 PRO A 137 19.634 -11.423 -21.087 1.00 0.00 H new ATOM 184 N ILE A 138 22.157 -8.835 -23.764 1.00 0.00 N ATOM 185 CA ILE A 138 23.151 -8.383 -24.730 1.00 0.00 C ATOM 186 C ILE A 138 22.576 -7.310 -25.649 1.00 0.00 C ATOM 187 O ILE A 138 21.823 -7.611 -26.575 1.00 0.00 O ATOM 188 CB ILE A 138 23.675 -9.550 -25.587 1.00 0.00 C ATOM 189 CG1 ILE A 138 24.287 -10.632 -24.695 1.00 0.00 C ATOM 190 CG2 ILE A 138 24.696 -9.049 -26.598 1.00 0.00 C ATOM 191 CD1 ILE A 138 25.489 -10.159 -23.909 1.00 0.00 C ATOM 0 H ILE A 138 22.036 -9.847 -23.725 1.00 0.00 H new ATOM 0 HA ILE A 138 23.979 -7.963 -24.158 1.00 0.00 H new ATOM 0 HB ILE A 138 22.837 -9.986 -26.132 1.00 0.00 H new ATOM 0 HG12 ILE A 138 23.528 -10.991 -24.001 1.00 0.00 H new ATOM 0 HG13 ILE A 138 24.579 -11.480 -25.315 1.00 0.00 H new ATOM 0 HG21 ILE A 138 25.057 -9.886 -27.196 1.00 0.00 H new ATOM 0 HG22 ILE A 138 24.230 -8.311 -27.251 1.00 0.00 H new ATOM 0 HG23 ILE A 138 25.534 -8.591 -26.072 1.00 0.00 H new ATOM 0 HD11 ILE A 138 25.870 -10.978 -23.299 1.00 0.00 H new ATOM 0 HD12 ILE A 138 26.266 -9.827 -24.597 1.00 0.00 H new ATOM 0 HD13 ILE A 138 25.198 -9.331 -23.263 1.00 0.00 H new ATOM 203 N ILE A 139 22.938 -6.059 -25.387 1.00 0.00 N ATOM 204 CA ILE A 139 22.461 -4.941 -26.192 1.00 0.00 C ATOM 205 C ILE A 139 23.433 -4.624 -27.323 1.00 0.00 C ATOM 206 O ILE A 139 24.635 -4.865 -27.208 1.00 0.00 O ATOM 207 CB ILE A 139 22.256 -3.678 -25.336 1.00 0.00 C ATOM 208 CG1 ILE A 139 21.507 -2.609 -26.136 1.00 0.00 C ATOM 209 CG2 ILE A 139 23.595 -3.143 -24.851 1.00 0.00 C ATOM 210 CD1 ILE A 139 20.780 -1.605 -25.269 1.00 0.00 C ATOM 0 H ILE A 139 23.560 -5.794 -24.623 1.00 0.00 H new ATOM 0 HA ILE A 139 21.502 -5.242 -26.614 1.00 0.00 H new ATOM 0 HB ILE A 139 21.655 -3.941 -24.465 1.00 0.00 H new ATOM 0 HG12 ILE A 139 22.216 -2.081 -26.774 1.00 0.00 H new ATOM 0 HG13 ILE A 139 20.788 -3.097 -26.794 1.00 0.00 H new ATOM 0 HG21 ILE A 139 23.433 -2.250 -24.247 1.00 0.00 H new ATOM 0 HG22 ILE A 139 24.094 -3.902 -24.249 1.00 0.00 H new ATOM 0 HG23 ILE A 139 24.219 -2.893 -25.709 1.00 0.00 H new ATOM 0 HD11 ILE A 139 20.272 -0.878 -25.902 1.00 0.00 H new ATOM 0 HD12 ILE A 139 20.047 -2.122 -24.650 1.00 0.00 H new ATOM 0 HD13 ILE A 139 21.497 -1.090 -24.629 1.00 0.00 H new ATOM 222 N HIS A 140 22.906 -4.078 -28.414 1.00 0.00 N ATOM 223 CA HIS A 140 23.728 -3.724 -29.566 1.00 0.00 C ATOM 224 C HIS A 140 24.804 -2.715 -29.176 1.00 0.00 C ATOM 225 O HIS A 140 24.499 -1.599 -28.756 1.00 0.00 O ATOM 226 CB HIS A 140 22.856 -3.152 -30.684 1.00 0.00 C ATOM 227 CG HIS A 140 22.853 -3.987 -31.928 1.00 0.00 C ATOM 228 ND1 HIS A 140 23.995 -4.540 -32.466 1.00 0.00 N ATOM 229 CD2 HIS A 140 21.836 -4.364 -32.738 1.00 0.00 C ATOM 230 CE1 HIS A 140 23.682 -5.219 -33.555 1.00 0.00 C ATOM 231 NE2 HIS A 140 22.377 -5.129 -33.741 1.00 0.00 N ATOM 0 H HIS A 140 21.913 -3.871 -28.525 1.00 0.00 H new ATOM 0 HA HIS A 140 24.218 -4.629 -29.925 1.00 0.00 H new ATOM 0 HB2 HIS A 140 21.833 -3.052 -30.321 1.00 0.00 H new ATOM 0 HB3 HIS A 140 23.206 -2.150 -30.930 1.00 0.00 H new ATOM 0 HD2 HIS A 140 20.793 -4.110 -32.617 1.00 0.00 H new ATOM 0 HE1 HIS A 140 24.375 -5.756 -34.186 1.00 0.00 H new ATOM 0 HE2 HIS A 140 21.856 -5.558 -34.506 1.00 0.00 H new ATOM 239 N PHE A 141 26.063 -3.116 -29.317 1.00 0.00 N ATOM 240 CA PHE A 141 27.184 -2.248 -28.977 1.00 0.00 C ATOM 241 C PHE A 141 27.209 -1.015 -29.877 1.00 0.00 C ATOM 242 O PHE A 141 27.086 0.114 -29.405 1.00 0.00 O ATOM 243 CB PHE A 141 28.504 -3.011 -29.103 1.00 0.00 C ATOM 244 CG PHE A 141 28.481 -4.360 -28.443 1.00 0.00 C ATOM 245 CD1 PHE A 141 27.982 -4.510 -27.159 1.00 0.00 C ATOM 246 CD2 PHE A 141 28.960 -5.479 -29.106 1.00 0.00 C ATOM 247 CE1 PHE A 141 27.959 -5.750 -26.550 1.00 0.00 C ATOM 248 CE2 PHE A 141 28.939 -6.721 -28.502 1.00 0.00 C ATOM 249 CZ PHE A 141 28.439 -6.857 -27.222 1.00 0.00 C ATOM 0 H PHE A 141 26.332 -4.036 -29.664 1.00 0.00 H new ATOM 0 HA PHE A 141 27.058 -1.921 -27.945 1.00 0.00 H new ATOM 0 HB2 PHE A 141 28.743 -3.136 -30.159 1.00 0.00 H new ATOM 0 HB3 PHE A 141 29.303 -2.414 -28.664 1.00 0.00 H new ATOM 0 HD1 PHE A 141 27.607 -3.648 -26.628 1.00 0.00 H new ATOM 0 HD2 PHE A 141 29.354 -5.379 -30.106 1.00 0.00 H new ATOM 0 HE1 PHE A 141 27.566 -5.854 -25.549 1.00 0.00 H new ATOM 0 HE2 PHE A 141 29.313 -7.585 -29.030 1.00 0.00 H new ATOM 0 HZ PHE A 141 28.423 -7.827 -26.747 1.00 0.00 H new ATOM 259 N GLY A 142 27.370 -1.242 -31.177 1.00 0.00 N ATOM 260 CA GLY A 142 27.409 -0.142 -32.123 1.00 0.00 C ATOM 261 C GLY A 142 28.824 0.239 -32.511 1.00 0.00 C ATOM 262 O GLY A 142 29.067 0.692 -33.630 1.00 0.00 O ATOM 0 H GLY A 142 27.474 -2.168 -31.592 1.00 0.00 H new ATOM 0 HA2 GLY A 142 26.852 -0.417 -33.018 1.00 0.00 H new ATOM 0 HA3 GLY A 142 26.909 0.724 -31.689 1.00 0.00 H new ATOM 266 N SER A 143 29.760 0.056 -31.586 1.00 0.00 N ATOM 267 CA SER A 143 31.158 0.388 -31.835 1.00 0.00 C ATOM 268 C SER A 143 32.084 -0.647 -31.203 1.00 0.00 C ATOM 269 O SER A 143 31.900 -1.038 -30.051 1.00 0.00 O ATOM 270 CB SER A 143 31.479 1.779 -31.287 1.00 0.00 C ATOM 271 OG SER A 143 32.237 2.532 -32.217 1.00 0.00 O ATOM 0 H SER A 143 29.576 -0.321 -30.656 1.00 0.00 H new ATOM 0 HA SER A 143 31.320 0.384 -32.913 1.00 0.00 H new ATOM 0 HB2 SER A 143 30.553 2.305 -31.058 1.00 0.00 H new ATOM 0 HB3 SER A 143 32.033 1.686 -30.353 1.00 0.00 H new ATOM 0 HG SER A 143 32.427 3.418 -31.843 1.00 0.00 H new ATOM 277 N ASP A 144 33.079 -1.085 -31.966 1.00 0.00 N ATOM 278 CA ASP A 144 34.035 -2.074 -31.482 1.00 0.00 C ATOM 279 C ASP A 144 34.889 -1.498 -30.356 1.00 0.00 C ATOM 280 O ASP A 144 35.309 -2.219 -29.451 1.00 0.00 O ATOM 281 CB ASP A 144 34.932 -2.551 -32.626 1.00 0.00 C ATOM 282 CG ASP A 144 35.018 -4.062 -32.702 1.00 0.00 C ATOM 283 OD1 ASP A 144 34.146 -4.674 -33.355 1.00 0.00 O ATOM 284 OD2 ASP A 144 35.957 -4.633 -32.110 1.00 0.00 O ATOM 0 H ASP A 144 33.245 -0.771 -32.922 1.00 0.00 H new ATOM 0 HA ASP A 144 33.475 -2.924 -31.092 1.00 0.00 H new ATOM 0 HB2 ASP A 144 34.549 -2.164 -33.570 1.00 0.00 H new ATOM 0 HB3 ASP A 144 35.933 -2.139 -32.495 1.00 0.00 H new ATOM 289 N TYR A 145 35.142 -0.196 -30.420 1.00 0.00 N ATOM 290 CA TYR A 145 35.949 0.476 -29.408 1.00 0.00 C ATOM 291 C TYR A 145 35.175 0.619 -28.101 1.00 0.00 C ATOM 292 O TYR A 145 35.665 0.249 -27.034 1.00 0.00 O ATOM 293 CB TYR A 145 36.387 1.854 -29.907 1.00 0.00 C ATOM 294 CG TYR A 145 36.961 1.837 -31.306 1.00 0.00 C ATOM 295 CD1 TYR A 145 38.070 1.060 -31.614 1.00 0.00 C ATOM 296 CD2 TYR A 145 36.392 2.598 -32.321 1.00 0.00 C ATOM 297 CE1 TYR A 145 38.598 1.042 -32.890 1.00 0.00 C ATOM 298 CE2 TYR A 145 36.912 2.585 -33.600 1.00 0.00 C ATOM 299 CZ TYR A 145 38.016 1.806 -33.880 1.00 0.00 C ATOM 300 OH TYR A 145 38.538 1.790 -35.153 1.00 0.00 O ATOM 0 H TYR A 145 34.800 0.415 -31.162 1.00 0.00 H new ATOM 0 HA TYR A 145 36.833 -0.134 -29.221 1.00 0.00 H new ATOM 0 HB2 TYR A 145 35.531 2.529 -29.883 1.00 0.00 H new ATOM 0 HB3 TYR A 145 37.132 2.259 -29.222 1.00 0.00 H new ATOM 0 HD1 TYR A 145 38.528 0.459 -30.842 1.00 0.00 H new ATOM 0 HD2 TYR A 145 35.529 3.210 -32.105 1.00 0.00 H new ATOM 0 HE1 TYR A 145 39.462 0.433 -33.111 1.00 0.00 H new ATOM 0 HE2 TYR A 145 36.457 3.181 -34.377 1.00 0.00 H new ATOM 0 HH TYR A 145 38.011 2.381 -35.730 1.00 0.00 H new ATOM 310 N GLU A 146 33.963 1.158 -28.194 1.00 0.00 N ATOM 311 CA GLU A 146 33.121 1.349 -27.019 1.00 0.00 C ATOM 312 C GLU A 146 32.645 0.009 -26.466 1.00 0.00 C ATOM 313 O GLU A 146 32.441 -0.141 -25.261 1.00 0.00 O ATOM 314 CB GLU A 146 31.917 2.227 -27.365 1.00 0.00 C ATOM 315 CG GLU A 146 32.258 3.702 -27.502 1.00 0.00 C ATOM 316 CD GLU A 146 31.672 4.542 -26.384 1.00 0.00 C ATOM 317 OE1 GLU A 146 32.292 4.608 -25.302 1.00 0.00 O ATOM 318 OE2 GLU A 146 30.592 5.135 -26.592 1.00 0.00 O ATOM 0 H GLU A 146 33.543 1.470 -29.070 1.00 0.00 H new ATOM 0 HA GLU A 146 33.717 1.846 -26.254 1.00 0.00 H new ATOM 0 HB2 GLU A 146 31.479 1.876 -28.299 1.00 0.00 H new ATOM 0 HB3 GLU A 146 31.158 2.109 -26.592 1.00 0.00 H new ATOM 0 HG2 GLU A 146 33.341 3.821 -27.512 1.00 0.00 H new ATOM 0 HG3 GLU A 146 31.888 4.069 -28.459 1.00 0.00 H new ATOM 325 N ASP A 147 32.470 -0.962 -27.355 1.00 0.00 N ATOM 326 CA ASP A 147 32.018 -2.291 -26.958 1.00 0.00 C ATOM 327 C ASP A 147 32.889 -2.847 -25.835 1.00 0.00 C ATOM 328 O ASP A 147 32.391 -3.490 -24.911 1.00 0.00 O ATOM 329 CB ASP A 147 32.041 -3.240 -28.156 1.00 0.00 C ATOM 330 CG ASP A 147 31.855 -4.689 -27.751 1.00 0.00 C ATOM 331 OD1 ASP A 147 31.069 -4.947 -26.816 1.00 0.00 O ATOM 332 OD2 ASP A 147 32.497 -5.565 -28.368 1.00 0.00 O ATOM 0 H ASP A 147 32.634 -0.854 -28.356 1.00 0.00 H new ATOM 0 HA ASP A 147 30.995 -2.206 -26.592 1.00 0.00 H new ATOM 0 HB2 ASP A 147 31.254 -2.957 -28.855 1.00 0.00 H new ATOM 0 HB3 ASP A 147 32.989 -3.132 -28.683 1.00 0.00 H new ATOM 337 N ARG A 148 34.191 -2.597 -25.924 1.00 0.00 N ATOM 338 CA ARG A 148 35.131 -3.075 -24.917 1.00 0.00 C ATOM 339 C ARG A 148 34.770 -2.536 -23.536 1.00 0.00 C ATOM 340 O ARG A 148 34.723 -3.284 -22.559 1.00 0.00 O ATOM 341 CB ARG A 148 36.557 -2.658 -25.282 1.00 0.00 C ATOM 342 CG ARG A 148 36.962 -3.043 -26.695 1.00 0.00 C ATOM 343 CD ARG A 148 36.811 -4.538 -26.931 1.00 0.00 C ATOM 344 NE ARG A 148 37.614 -5.322 -25.996 1.00 0.00 N ATOM 345 CZ ARG A 148 38.932 -5.455 -26.092 1.00 0.00 C ATOM 346 NH1 ARG A 148 39.593 -4.858 -27.074 1.00 0.00 N ATOM 347 NH2 ARG A 148 39.593 -6.186 -25.203 1.00 0.00 N ATOM 0 H ARG A 148 34.619 -2.066 -26.683 1.00 0.00 H new ATOM 0 HA ARG A 148 35.073 -4.163 -24.890 1.00 0.00 H new ATOM 0 HB2 ARG A 148 36.651 -1.578 -25.168 1.00 0.00 H new ATOM 0 HB3 ARG A 148 37.252 -3.115 -24.577 1.00 0.00 H new ATOM 0 HG2 ARG A 148 36.349 -2.497 -27.412 1.00 0.00 H new ATOM 0 HG3 ARG A 148 37.997 -2.749 -26.871 1.00 0.00 H new ATOM 0 HD2 ARG A 148 35.762 -4.817 -26.831 1.00 0.00 H new ATOM 0 HD3 ARG A 148 37.108 -4.776 -27.952 1.00 0.00 H new ATOM 0 HE ARG A 148 37.137 -5.793 -25.228 1.00 0.00 H new ATOM 0 HH11 ARG A 148 39.089 -4.294 -27.759 1.00 0.00 H new ATOM 0 HH12 ARG A 148 40.605 -4.962 -27.145 1.00 0.00 H new ATOM 0 HH21 ARG A 148 39.089 -6.646 -24.445 1.00 0.00 H new ATOM 0 HH22 ARG A 148 40.605 -6.288 -25.278 1.00 0.00 H new ATOM 361 N TYR A 149 34.515 -1.235 -23.463 1.00 0.00 N ATOM 362 CA TYR A 149 34.161 -0.595 -22.201 1.00 0.00 C ATOM 363 C TYR A 149 32.852 -1.156 -21.655 1.00 0.00 C ATOM 364 O TYR A 149 32.762 -1.528 -20.485 1.00 0.00 O ATOM 365 CB TYR A 149 34.042 0.918 -22.388 1.00 0.00 C ATOM 366 CG TYR A 149 34.502 1.715 -21.189 1.00 0.00 C ATOM 367 CD1 TYR A 149 35.774 1.538 -20.658 1.00 0.00 C ATOM 368 CD2 TYR A 149 33.665 2.646 -20.586 1.00 0.00 C ATOM 369 CE1 TYR A 149 36.198 2.263 -19.562 1.00 0.00 C ATOM 370 CE2 TYR A 149 34.081 3.377 -19.490 1.00 0.00 C ATOM 371 CZ TYR A 149 35.348 3.181 -18.981 1.00 0.00 C ATOM 372 OH TYR A 149 35.767 3.907 -17.890 1.00 0.00 O ATOM 0 H TYR A 149 34.547 -0.602 -24.262 1.00 0.00 H new ATOM 0 HA TYR A 149 34.953 -0.804 -21.482 1.00 0.00 H new ATOM 0 HB2 TYR A 149 34.628 1.215 -23.258 1.00 0.00 H new ATOM 0 HB3 TYR A 149 33.003 1.168 -22.603 1.00 0.00 H new ATOM 0 HD1 TYR A 149 36.443 0.821 -21.111 1.00 0.00 H new ATOM 0 HD2 TYR A 149 32.672 2.801 -20.981 1.00 0.00 H new ATOM 0 HE1 TYR A 149 37.190 2.112 -19.162 1.00 0.00 H new ATOM 0 HE2 TYR A 149 33.418 4.098 -19.034 1.00 0.00 H new ATOM 0 HH TYR A 149 35.049 4.510 -17.603 1.00 0.00 H new ATOM 382 N TYR A 150 31.838 -1.214 -22.512 1.00 0.00 N ATOM 383 CA TYR A 150 30.532 -1.727 -22.116 1.00 0.00 C ATOM 384 C TYR A 150 30.624 -3.194 -21.707 1.00 0.00 C ATOM 385 O TYR A 150 29.810 -3.684 -20.924 1.00 0.00 O ATOM 386 CB TYR A 150 29.530 -1.568 -23.261 1.00 0.00 C ATOM 387 CG TYR A 150 28.209 -2.260 -23.011 1.00 0.00 C ATOM 388 CD1 TYR A 150 27.236 -1.676 -22.209 1.00 0.00 C ATOM 389 CD2 TYR A 150 27.934 -3.499 -23.577 1.00 0.00 C ATOM 390 CE1 TYR A 150 26.029 -2.305 -21.978 1.00 0.00 C ATOM 391 CE2 TYR A 150 26.728 -4.135 -23.352 1.00 0.00 C ATOM 392 CZ TYR A 150 25.780 -3.535 -22.551 1.00 0.00 C ATOM 393 OH TYR A 150 24.577 -4.164 -22.324 1.00 0.00 O ATOM 0 H TYR A 150 31.896 -0.912 -23.485 1.00 0.00 H new ATOM 0 HA TYR A 150 30.188 -1.150 -21.258 1.00 0.00 H new ATOM 0 HB2 TYR A 150 29.348 -0.506 -23.429 1.00 0.00 H new ATOM 0 HB3 TYR A 150 29.971 -1.964 -24.176 1.00 0.00 H new ATOM 0 HD1 TYR A 150 27.427 -0.713 -21.759 1.00 0.00 H new ATOM 0 HD2 TYR A 150 28.675 -3.973 -24.203 1.00 0.00 H new ATOM 0 HE1 TYR A 150 25.284 -1.837 -21.352 1.00 0.00 H new ATOM 0 HE2 TYR A 150 26.529 -5.097 -23.801 1.00 0.00 H new ATOM 0 HH TYR A 150 24.728 -5.124 -22.200 1.00 0.00 H new ATOM 403 N ARG A 151 31.622 -3.889 -22.242 1.00 0.00 N ATOM 404 CA ARG A 151 31.822 -5.300 -21.934 1.00 0.00 C ATOM 405 C ARG A 151 32.075 -5.500 -20.442 1.00 0.00 C ATOM 406 O ARG A 151 31.774 -6.557 -19.889 1.00 0.00 O ATOM 407 CB ARG A 151 32.995 -5.859 -22.741 1.00 0.00 C ATOM 408 CG ARG A 151 32.774 -7.279 -23.234 1.00 0.00 C ATOM 409 CD ARG A 151 33.309 -7.469 -24.644 1.00 0.00 C ATOM 410 NE ARG A 151 34.768 -7.509 -24.676 1.00 0.00 N ATOM 411 CZ ARG A 151 35.481 -8.578 -24.339 1.00 0.00 C ATOM 412 NH1 ARG A 151 34.873 -9.689 -23.948 1.00 0.00 N ATOM 413 NH2 ARG A 151 36.807 -8.537 -24.393 1.00 0.00 N ATOM 0 H ARG A 151 32.305 -3.498 -22.891 1.00 0.00 H new ATOM 0 HA ARG A 151 30.914 -5.838 -22.206 1.00 0.00 H new ATOM 0 HB2 ARG A 151 33.177 -5.210 -23.598 1.00 0.00 H new ATOM 0 HB3 ARG A 151 33.894 -5.833 -22.125 1.00 0.00 H new ATOM 0 HG2 ARG A 151 33.266 -7.980 -22.560 1.00 0.00 H new ATOM 0 HG3 ARG A 151 31.709 -7.511 -23.214 1.00 0.00 H new ATOM 0 HD2 ARG A 151 32.912 -8.395 -25.060 1.00 0.00 H new ATOM 0 HD3 ARG A 151 32.955 -6.656 -25.278 1.00 0.00 H new ATOM 0 HE ARG A 151 35.267 -6.671 -24.973 1.00 0.00 H new ATOM 0 HH11 ARG A 151 33.855 -9.725 -23.905 1.00 0.00 H new ATOM 0 HH12 ARG A 151 35.424 -10.508 -23.690 1.00 0.00 H new ATOM 0 HH21 ARG A 151 37.279 -7.684 -24.693 1.00 0.00 H new ATOM 0 HH22 ARG A 151 37.354 -9.358 -24.134 1.00 0.00 H new ATOM 427 N GLU A 152 32.631 -4.478 -19.799 1.00 0.00 N ATOM 428 CA GLU A 152 32.926 -4.543 -18.373 1.00 0.00 C ATOM 429 C GLU A 152 31.744 -4.041 -17.549 1.00 0.00 C ATOM 430 O GLU A 152 31.603 -4.380 -16.375 1.00 0.00 O ATOM 431 CB GLU A 152 34.174 -3.719 -18.049 1.00 0.00 C ATOM 432 CG GLU A 152 35.398 -4.127 -18.852 1.00 0.00 C ATOM 433 CD GLU A 152 36.694 -3.880 -18.105 1.00 0.00 C ATOM 434 OE1 GLU A 152 37.226 -2.754 -18.198 1.00 0.00 O ATOM 435 OE2 GLU A 152 37.177 -4.812 -17.429 1.00 0.00 O ATOM 0 H GLU A 152 32.886 -3.596 -20.243 1.00 0.00 H new ATOM 0 HA GLU A 152 33.111 -5.586 -18.114 1.00 0.00 H new ATOM 0 HB2 GLU A 152 33.962 -2.666 -18.235 1.00 0.00 H new ATOM 0 HB3 GLU A 152 34.398 -3.816 -16.987 1.00 0.00 H new ATOM 0 HG2 GLU A 152 35.325 -5.184 -19.106 1.00 0.00 H new ATOM 0 HG3 GLU A 152 35.413 -3.574 -19.791 1.00 0.00 H new ATOM 442 N ASN A 153 30.897 -3.229 -18.174 1.00 0.00 N ATOM 443 CA ASN A 153 29.727 -2.678 -17.500 1.00 0.00 C ATOM 444 C ASN A 153 28.539 -3.630 -17.606 1.00 0.00 C ATOM 445 O ASN A 153 27.627 -3.594 -16.781 1.00 0.00 O ATOM 446 CB ASN A 153 29.360 -1.319 -18.099 1.00 0.00 C ATOM 447 CG ASN A 153 30.580 -0.462 -18.378 1.00 0.00 C ATOM 448 OD1 ASN A 153 30.692 0.149 -19.441 1.00 0.00 O ATOM 449 ND2 ASN A 153 31.502 -0.415 -17.423 1.00 0.00 N ATOM 0 H ASN A 153 30.999 -2.938 -19.146 1.00 0.00 H new ATOM 0 HA ASN A 153 29.974 -2.549 -16.446 1.00 0.00 H new ATOM 0 HB2 ASN A 153 28.806 -1.471 -19.026 1.00 0.00 H new ATOM 0 HB3 ASN A 153 28.697 -0.790 -17.414 1.00 0.00 H new ATOM 0 HD21 ASN A 153 32.345 0.144 -17.555 1.00 0.00 H new ATOM 0 HD22 ASN A 153 31.367 -0.938 -16.558 1.00 0.00 H new ATOM 456 N MET A 154 28.559 -4.481 -18.627 1.00 0.00 N ATOM 457 CA MET A 154 27.485 -5.444 -18.839 1.00 0.00 C ATOM 458 C MET A 154 27.274 -6.306 -17.599 1.00 0.00 C ATOM 459 O MET A 154 26.164 -6.768 -17.332 1.00 0.00 O ATOM 460 CB MET A 154 27.799 -6.332 -20.045 1.00 0.00 C ATOM 461 CG MET A 154 28.823 -7.416 -19.751 1.00 0.00 C ATOM 462 SD MET A 154 29.498 -8.159 -21.249 1.00 0.00 S ATOM 463 CE MET A 154 28.007 -8.391 -22.213 1.00 0.00 C ATOM 0 H MET A 154 29.307 -4.523 -19.320 1.00 0.00 H new ATOM 0 HA MET A 154 26.567 -4.890 -19.034 1.00 0.00 H new ATOM 0 HB2 MET A 154 26.877 -6.799 -20.392 1.00 0.00 H new ATOM 0 HB3 MET A 154 28.166 -5.708 -20.860 1.00 0.00 H new ATOM 0 HG2 MET A 154 29.636 -6.992 -19.162 1.00 0.00 H new ATOM 0 HG3 MET A 154 28.360 -8.192 -19.142 1.00 0.00 H new ATOM 0 HE1 MET A 154 28.201 -9.099 -23.018 1.00 0.00 H new ATOM 0 HE2 MET A 154 27.216 -8.779 -21.572 1.00 0.00 H new ATOM 0 HE3 MET A 154 27.695 -7.436 -22.637 1.00 0.00 H new ATOM 473 N HIS A 155 28.347 -6.520 -16.843 1.00 0.00 N ATOM 474 CA HIS A 155 28.279 -7.328 -15.630 1.00 0.00 C ATOM 475 C HIS A 155 27.505 -6.599 -14.535 1.00 0.00 C ATOM 476 O HIS A 155 26.930 -7.226 -13.646 1.00 0.00 O ATOM 477 CB HIS A 155 29.686 -7.666 -15.137 1.00 0.00 C ATOM 478 CG HIS A 155 30.414 -8.632 -16.020 1.00 0.00 C ATOM 479 ND1 HIS A 155 29.952 -9.904 -16.285 1.00 0.00 N ATOM 480 CD2 HIS A 155 31.576 -8.506 -16.702 1.00 0.00 C ATOM 481 CE1 HIS A 155 30.800 -10.519 -17.090 1.00 0.00 C ATOM 482 NE2 HIS A 155 31.794 -9.692 -17.358 1.00 0.00 N ATOM 0 H HIS A 155 29.273 -6.145 -17.049 1.00 0.00 H new ATOM 0 HA HIS A 155 27.754 -8.253 -15.868 1.00 0.00 H new ATOM 0 HB2 HIS A 155 30.266 -6.746 -15.062 1.00 0.00 H new ATOM 0 HB3 HIS A 155 29.620 -8.084 -14.132 1.00 0.00 H new ATOM 0 HD2 HIS A 155 32.213 -7.634 -16.726 1.00 0.00 H new ATOM 0 HE1 HIS A 155 30.698 -11.527 -17.465 1.00 0.00 H new ATOM 0 HE2 HIS A 155 32.594 -9.901 -17.955 1.00 0.00 H new ATOM 490 N ARG A 156 27.496 -5.272 -14.607 1.00 0.00 N ATOM 491 CA ARG A 156 26.795 -4.458 -13.621 1.00 0.00 C ATOM 492 C ARG A 156 25.624 -3.718 -14.261 1.00 0.00 C ATOM 493 O ARG A 156 25.058 -2.799 -13.667 1.00 0.00 O ATOM 494 CB ARG A 156 27.756 -3.457 -12.979 1.00 0.00 C ATOM 495 CG ARG A 156 27.617 -3.362 -11.468 1.00 0.00 C ATOM 496 CD ARG A 156 28.668 -4.200 -10.758 1.00 0.00 C ATOM 497 NE ARG A 156 28.164 -5.524 -10.403 1.00 0.00 N ATOM 498 CZ ARG A 156 28.787 -6.348 -9.567 1.00 0.00 C ATOM 499 NH1 ARG A 156 29.930 -5.985 -9.002 1.00 0.00 N ATOM 500 NH2 ARG A 156 28.265 -7.537 -9.293 1.00 0.00 N ATOM 0 H ARG A 156 27.966 -4.738 -15.338 1.00 0.00 H new ATOM 0 HA ARG A 156 26.405 -5.122 -12.850 1.00 0.00 H new ATOM 0 HB2 ARG A 156 28.780 -3.740 -13.224 1.00 0.00 H new ATOM 0 HB3 ARG A 156 27.585 -2.472 -13.414 1.00 0.00 H new ATOM 0 HG2 ARG A 156 27.710 -2.321 -11.158 1.00 0.00 H new ATOM 0 HG3 ARG A 156 26.623 -3.696 -11.171 1.00 0.00 H new ATOM 0 HD2 ARG A 156 29.542 -4.305 -11.400 1.00 0.00 H new ATOM 0 HD3 ARG A 156 28.995 -3.683 -9.856 1.00 0.00 H new ATOM 0 HE ARG A 156 27.286 -5.833 -10.820 1.00 0.00 H new ATOM 0 HH11 ARG A 156 30.333 -5.071 -9.209 1.00 0.00 H new ATOM 0 HH12 ARG A 156 30.406 -6.619 -8.361 1.00 0.00 H new ATOM 0 HH21 ARG A 156 27.385 -7.819 -9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 156 28.744 -8.169 -8.651 1.00 0.00 H new ATOM 514 N TYR A 157 25.267 -4.122 -15.475 1.00 0.00 N ATOM 515 CA TYR A 157 24.166 -3.495 -16.197 1.00 0.00 C ATOM 516 C TYR A 157 22.867 -3.598 -15.404 1.00 0.00 C ATOM 517 O TYR A 157 22.686 -4.487 -14.572 1.00 0.00 O ATOM 518 CB TYR A 157 23.992 -4.147 -17.569 1.00 0.00 C ATOM 519 CG TYR A 157 23.147 -5.401 -17.542 1.00 0.00 C ATOM 520 CD1 TYR A 157 23.392 -6.407 -16.615 1.00 0.00 C ATOM 521 CD2 TYR A 157 22.105 -5.580 -18.443 1.00 0.00 C ATOM 522 CE1 TYR A 157 22.623 -7.554 -16.587 1.00 0.00 C ATOM 523 CE2 TYR A 157 21.331 -6.723 -18.421 1.00 0.00 C ATOM 524 CZ TYR A 157 21.593 -7.707 -17.492 1.00 0.00 C ATOM 525 OH TYR A 157 20.825 -8.848 -17.467 1.00 0.00 O ATOM 0 H TYR A 157 25.724 -4.881 -15.980 1.00 0.00 H new ATOM 0 HA TYR A 157 24.406 -2.440 -16.331 1.00 0.00 H new ATOM 0 HB2 TYR A 157 23.537 -3.427 -18.249 1.00 0.00 H new ATOM 0 HB3 TYR A 157 24.975 -4.390 -17.974 1.00 0.00 H new ATOM 0 HD1 TYR A 157 24.197 -6.290 -15.905 1.00 0.00 H new ATOM 0 HD2 TYR A 157 21.897 -4.812 -19.173 1.00 0.00 H new ATOM 0 HE1 TYR A 157 22.827 -8.327 -15.861 1.00 0.00 H new ATOM 0 HE2 TYR A 157 20.524 -6.846 -19.128 1.00 0.00 H new ATOM 0 HH TYR A 157 19.947 -8.643 -17.083 1.00 0.00 H new ATOM 535 N PRO A 158 21.939 -2.666 -15.668 1.00 0.00 N ATOM 536 CA PRO A 158 20.639 -2.630 -14.992 1.00 0.00 C ATOM 537 C PRO A 158 19.737 -3.787 -15.408 1.00 0.00 C ATOM 538 O PRO A 158 19.167 -3.781 -16.498 1.00 0.00 O ATOM 539 CB PRO A 158 20.040 -1.296 -15.446 1.00 0.00 C ATOM 540 CG PRO A 158 20.698 -1.010 -16.751 1.00 0.00 C ATOM 541 CD PRO A 158 22.087 -1.577 -16.648 1.00 0.00 C ATOM 0 HA PRO A 158 20.740 -2.722 -13.911 1.00 0.00 H new ATOM 0 HB2 PRO A 158 18.958 -1.365 -15.555 1.00 0.00 H new ATOM 0 HB3 PRO A 158 20.238 -0.506 -14.721 1.00 0.00 H new ATOM 0 HG2 PRO A 158 20.149 -1.469 -17.573 1.00 0.00 H new ATOM 0 HG3 PRO A 158 20.728 0.062 -16.946 1.00 0.00 H new ATOM 0 HD2 PRO A 158 22.442 -1.947 -17.610 1.00 0.00 H new ATOM 0 HD3 PRO A 158 22.803 -0.828 -16.311 1.00 0.00 H new ATOM 549 N ASN A 159 19.611 -4.778 -14.531 1.00 0.00 N ATOM 550 CA ASN A 159 18.778 -5.943 -14.808 1.00 0.00 C ATOM 551 C ASN A 159 17.437 -5.835 -14.089 1.00 0.00 C ATOM 552 O ASN A 159 16.885 -6.835 -13.632 1.00 0.00 O ATOM 553 CB ASN A 159 19.497 -7.224 -14.381 1.00 0.00 C ATOM 554 CG ASN A 159 18.783 -8.474 -14.857 1.00 0.00 C ATOM 555 OD1 ASN A 159 18.444 -8.509 -16.141 1.00 0.00 O flip ATOM 556 ND2 ASN A 159 18.539 -9.397 -14.080 1.00 0.00 N flip ATOM 0 H ASN A 159 20.075 -4.798 -13.623 1.00 0.00 H new ATOM 0 HA ASN A 159 18.593 -5.980 -15.882 1.00 0.00 H new ATOM 0 HB2 ASN A 159 20.513 -7.216 -14.776 1.00 0.00 H new ATOM 0 HB3 ASN A 159 19.578 -7.247 -13.294 1.00 0.00 H new ATOM 0 HD21 ASN A 159 18.818 -9.327 -13.101 1.00 0.00 H new ATOM 0 HD22 ASN A 159 18.058 -10.232 -14.415 1.00 0.00 H new ATOM 563 N GLN A 160 16.919 -4.614 -13.993 1.00 0.00 N ATOM 564 CA GLN A 160 15.642 -4.376 -13.330 1.00 0.00 C ATOM 565 C GLN A 160 15.248 -2.906 -13.421 1.00 0.00 C ATOM 566 O GLN A 160 16.071 -2.017 -13.203 1.00 0.00 O ATOM 567 CB GLN A 160 15.717 -4.807 -11.864 1.00 0.00 C ATOM 568 CG GLN A 160 14.547 -5.671 -11.423 1.00 0.00 C ATOM 569 CD GLN A 160 13.219 -5.169 -11.954 1.00 0.00 C ATOM 570 OE1 GLN A 160 12.634 -4.231 -11.412 1.00 0.00 O ATOM 571 NE2 GLN A 160 12.734 -5.793 -13.021 1.00 0.00 N ATOM 0 H GLN A 160 17.364 -3.775 -14.366 1.00 0.00 H new ATOM 0 HA GLN A 160 14.881 -4.969 -13.837 1.00 0.00 H new ATOM 0 HB2 GLN A 160 16.645 -5.356 -11.703 1.00 0.00 H new ATOM 0 HB3 GLN A 160 15.759 -3.918 -11.234 1.00 0.00 H new ATOM 0 HG2 GLN A 160 14.707 -6.694 -11.764 1.00 0.00 H new ATOM 0 HG3 GLN A 160 14.511 -5.699 -10.334 1.00 0.00 H new ATOM 0 HE21 GLN A 160 13.252 -6.566 -13.439 1.00 0.00 H new ATOM 0 HE22 GLN A 160 11.844 -5.499 -13.423 1.00 0.00 H new ATOM 580 N VAL A 161 13.982 -2.657 -13.744 1.00 0.00 N ATOM 581 CA VAL A 161 13.478 -1.294 -13.863 1.00 0.00 C ATOM 582 C VAL A 161 12.802 -0.844 -12.572 1.00 0.00 C ATOM 583 O VAL A 161 11.862 -1.481 -12.096 1.00 0.00 O ATOM 584 CB VAL A 161 12.476 -1.166 -15.025 1.00 0.00 C ATOM 585 CG1 VAL A 161 13.186 -1.319 -16.362 1.00 0.00 C ATOM 586 CG2 VAL A 161 11.362 -2.193 -14.884 1.00 0.00 C ATOM 0 H VAL A 161 13.288 -3.381 -13.928 1.00 0.00 H new ATOM 0 HA VAL A 161 14.338 -0.654 -14.062 1.00 0.00 H new ATOM 0 HB VAL A 161 12.030 -0.172 -14.989 1.00 0.00 H new ATOM 0 HG11 VAL A 161 12.462 -1.226 -17.171 1.00 0.00 H new ATOM 0 HG12 VAL A 161 13.944 -0.542 -16.462 1.00 0.00 H new ATOM 0 HG13 VAL A 161 13.661 -2.299 -16.412 1.00 0.00 H new ATOM 0 HG21 VAL A 161 10.663 -2.088 -15.714 1.00 0.00 H new ATOM 0 HG22 VAL A 161 11.788 -3.196 -14.894 1.00 0.00 H new ATOM 0 HG23 VAL A 161 10.835 -2.032 -13.943 1.00 0.00 H new ATOM 596 N TYR A 162 13.287 0.258 -12.011 1.00 0.00 N ATOM 597 CA TYR A 162 12.732 0.794 -10.774 1.00 0.00 C ATOM 598 C TYR A 162 11.556 1.722 -11.062 1.00 0.00 C ATOM 599 O TYR A 162 11.540 2.428 -12.070 1.00 0.00 O ATOM 600 CB TYR A 162 13.809 1.545 -9.990 1.00 0.00 C ATOM 601 CG TYR A 162 13.271 2.308 -8.801 1.00 0.00 C ATOM 602 CD1 TYR A 162 12.568 1.659 -7.794 1.00 0.00 C ATOM 603 CD2 TYR A 162 13.468 3.679 -8.684 1.00 0.00 C ATOM 604 CE1 TYR A 162 12.074 2.353 -6.706 1.00 0.00 C ATOM 605 CE2 TYR A 162 12.979 4.381 -7.599 1.00 0.00 C ATOM 606 CZ TYR A 162 12.282 3.713 -6.613 1.00 0.00 C ATOM 607 OH TYR A 162 11.793 4.408 -5.530 1.00 0.00 O ATOM 0 H TYR A 162 14.064 0.798 -12.393 1.00 0.00 H new ATOM 0 HA TYR A 162 12.373 -0.042 -10.174 1.00 0.00 H new ATOM 0 HB2 TYR A 162 14.559 0.833 -9.645 1.00 0.00 H new ATOM 0 HB3 TYR A 162 14.315 2.241 -10.659 1.00 0.00 H new ATOM 0 HD1 TYR A 162 12.405 0.594 -7.863 1.00 0.00 H new ATOM 0 HD2 TYR A 162 14.013 4.205 -9.454 1.00 0.00 H new ATOM 0 HE1 TYR A 162 11.528 1.833 -5.933 1.00 0.00 H new ATOM 0 HE2 TYR A 162 13.141 5.446 -7.523 1.00 0.00 H new ATOM 0 HH TYR A 162 12.027 5.356 -5.617 1.00 0.00 H new ATOM 797 N ASN A 174 5.848 10.629 -24.156 1.00 0.00 N ATOM 798 CA ASN A 174 6.952 11.115 -23.336 1.00 0.00 C ATOM 799 C ASN A 174 7.074 10.302 -22.051 1.00 0.00 C ATOM 800 O ASN A 174 8.159 10.176 -21.483 1.00 0.00 O ATOM 801 CB ASN A 174 6.752 12.594 -23.000 1.00 0.00 C ATOM 802 CG ASN A 174 7.175 13.507 -24.135 1.00 0.00 C ATOM 803 OD1 ASN A 174 8.035 14.371 -23.964 1.00 0.00 O ATOM 804 ND2 ASN A 174 6.569 13.319 -25.302 1.00 0.00 N ATOM 0 HA ASN A 174 7.874 11.000 -23.906 1.00 0.00 H new ATOM 0 HB2 ASN A 174 5.702 12.772 -22.766 1.00 0.00 H new ATOM 0 HB3 ASN A 174 7.324 12.841 -22.106 1.00 0.00 H new ATOM 0 HD21 ASN A 174 6.811 13.903 -26.102 1.00 0.00 H new ATOM 0 HD22 ASN A 174 5.862 12.590 -25.398 1.00 0.00 H new ATOM 811 N PHE A 175 5.953 9.752 -21.597 1.00 0.00 N ATOM 812 CA PHE A 175 5.933 8.951 -20.378 1.00 0.00 C ATOM 813 C PHE A 175 6.886 7.764 -20.492 1.00 0.00 C ATOM 814 O PHE A 175 7.487 7.339 -19.505 1.00 0.00 O ATOM 815 CB PHE A 175 4.515 8.454 -20.091 1.00 0.00 C ATOM 816 CG PHE A 175 4.350 7.870 -18.717 1.00 0.00 C ATOM 817 CD1 PHE A 175 4.556 8.649 -17.590 1.00 0.00 C ATOM 818 CD2 PHE A 175 3.990 6.542 -18.553 1.00 0.00 C ATOM 819 CE1 PHE A 175 4.405 8.115 -16.324 1.00 0.00 C ATOM 820 CE2 PHE A 175 3.837 6.003 -17.290 1.00 0.00 C ATOM 821 CZ PHE A 175 4.046 6.790 -16.174 1.00 0.00 C ATOM 0 H PHE A 175 5.046 9.846 -22.055 1.00 0.00 H new ATOM 0 HA PHE A 175 6.263 9.583 -19.553 1.00 0.00 H new ATOM 0 HB2 PHE A 175 3.817 9.283 -20.211 1.00 0.00 H new ATOM 0 HB3 PHE A 175 4.246 7.701 -20.832 1.00 0.00 H new ATOM 0 HD1 PHE A 175 4.838 9.686 -17.702 1.00 0.00 H new ATOM 0 HD2 PHE A 175 3.827 5.922 -19.422 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.568 8.733 -15.453 1.00 0.00 H new ATOM 0 HE2 PHE A 175 3.554 4.967 -17.175 1.00 0.00 H new ATOM 0 HZ PHE A 175 3.929 6.370 -15.186 1.00 0.00 H new ATOM 831 N VAL A 176 7.018 7.233 -21.703 1.00 0.00 N ATOM 832 CA VAL A 176 7.897 6.095 -21.948 1.00 0.00 C ATOM 833 C VAL A 176 9.361 6.487 -21.783 1.00 0.00 C ATOM 834 O VAL A 176 10.125 5.803 -21.102 1.00 0.00 O ATOM 835 CB VAL A 176 7.687 5.518 -23.360 1.00 0.00 C ATOM 836 CG1 VAL A 176 8.524 4.262 -23.553 1.00 0.00 C ATOM 837 CG2 VAL A 176 6.214 5.229 -23.604 1.00 0.00 C ATOM 0 H VAL A 176 6.527 7.572 -22.530 1.00 0.00 H new ATOM 0 HA VAL A 176 7.643 5.333 -21.211 1.00 0.00 H new ATOM 0 HB VAL A 176 8.014 6.260 -24.089 1.00 0.00 H new ATOM 0 HG11 VAL A 176 8.363 3.868 -24.556 1.00 0.00 H new ATOM 0 HG12 VAL A 176 9.579 4.504 -23.423 1.00 0.00 H new ATOM 0 HG13 VAL A 176 8.231 3.513 -22.818 1.00 0.00 H new ATOM 0 HG21 VAL A 176 6.084 4.822 -24.607 1.00 0.00 H new ATOM 0 HG22 VAL A 176 5.859 4.506 -22.870 1.00 0.00 H new ATOM 0 HG23 VAL A 176 5.642 6.152 -23.510 1.00 0.00 H new ATOM 847 N HIS A 177 9.746 7.594 -22.411 1.00 0.00 N ATOM 848 CA HIS A 177 11.120 8.078 -22.334 1.00 0.00 C ATOM 849 C HIS A 177 11.477 8.473 -20.904 1.00 0.00 C ATOM 850 O HIS A 177 12.601 8.260 -20.453 1.00 0.00 O ATOM 851 CB HIS A 177 11.316 9.272 -23.269 1.00 0.00 C ATOM 852 CG HIS A 177 11.259 8.911 -24.721 1.00 0.00 C ATOM 853 ND1 HIS A 177 10.331 9.441 -25.593 1.00 0.00 N ATOM 854 CD2 HIS A 177 12.024 8.069 -25.454 1.00 0.00 C ATOM 855 CE1 HIS A 177 10.527 8.938 -26.799 1.00 0.00 C ATOM 856 NE2 HIS A 177 11.549 8.103 -26.742 1.00 0.00 N ATOM 0 H HIS A 177 9.126 8.172 -22.978 1.00 0.00 H new ATOM 0 HA HIS A 177 11.782 7.270 -22.646 1.00 0.00 H new ATOM 0 HB2 HIS A 177 10.550 10.018 -23.058 1.00 0.00 H new ATOM 0 HB3 HIS A 177 12.279 9.736 -23.056 1.00 0.00 H new ATOM 0 HD2 HIS A 177 12.854 7.480 -25.093 1.00 0.00 H new ATOM 0 HE1 HIS A 177 9.950 9.170 -27.682 1.00 0.00 H new ATOM 0 HE2 HIS A 177 11.924 7.570 -27.527 1.00 0.00 H new ATOM 864 N ASN A 178 10.511 9.049 -20.196 1.00 0.00 N ATOM 865 CA ASN A 178 10.724 9.475 -18.817 1.00 0.00 C ATOM 866 C ASN A 178 10.930 8.272 -17.902 1.00 0.00 C ATOM 867 O ASN A 178 11.793 8.286 -17.024 1.00 0.00 O ATOM 868 CB ASN A 178 9.535 10.304 -18.328 1.00 0.00 C ATOM 869 CG ASN A 178 9.918 11.739 -18.019 1.00 0.00 C ATOM 870 OD1 ASN A 178 10.840 12.290 -18.621 1.00 0.00 O ATOM 871 ND2 ASN A 178 9.210 12.350 -17.077 1.00 0.00 N ATOM 0 H ASN A 178 9.573 9.232 -20.554 1.00 0.00 H new ATOM 0 HA ASN A 178 11.624 10.090 -18.788 1.00 0.00 H new ATOM 0 HB2 ASN A 178 8.753 10.295 -19.087 1.00 0.00 H new ATOM 0 HB3 ASN A 178 9.117 9.842 -17.434 1.00 0.00 H new ATOM 0 HD21 ASN A 178 9.421 13.316 -16.826 1.00 0.00 H new ATOM 0 HD22 ASN A 178 8.454 11.854 -16.604 1.00 0.00 H new ATOM 878 N CYS A 179 10.132 7.231 -18.114 1.00 0.00 N ATOM 879 CA CYS A 179 10.226 6.018 -17.310 1.00 0.00 C ATOM 880 C CYS A 179 11.661 5.500 -17.271 1.00 0.00 C ATOM 881 O CYS A 179 12.109 4.954 -16.263 1.00 0.00 O ATOM 882 CB CYS A 179 9.297 4.938 -17.867 1.00 0.00 C ATOM 883 SG CYS A 179 7.830 4.615 -16.836 1.00 0.00 S ATOM 0 H CYS A 179 9.412 7.203 -18.836 1.00 0.00 H new ATOM 0 HA CYS A 179 9.919 6.262 -16.293 1.00 0.00 H new ATOM 0 HB2 CYS A 179 8.969 5.234 -18.864 1.00 0.00 H new ATOM 0 HB3 CYS A 179 9.860 4.012 -17.979 1.00 0.00 H new ATOM 0 HG CYS A 179 7.105 3.689 -17.390 1.00 0.00 H new ATOM 888 N VAL A 180 12.378 5.677 -18.377 1.00 0.00 N ATOM 889 CA VAL A 180 13.762 5.229 -18.470 1.00 0.00 C ATOM 890 C VAL A 180 14.674 6.076 -17.590 1.00 0.00 C ATOM 891 O VAL A 180 15.612 5.566 -16.979 1.00 0.00 O ATOM 892 CB VAL A 180 14.273 5.284 -19.922 1.00 0.00 C ATOM 893 CG1 VAL A 180 15.650 4.648 -20.028 1.00 0.00 C ATOM 894 CG2 VAL A 180 13.288 4.602 -20.859 1.00 0.00 C ATOM 0 H VAL A 180 12.023 6.127 -19.220 1.00 0.00 H new ATOM 0 HA VAL A 180 13.784 4.196 -18.123 1.00 0.00 H new ATOM 0 HB VAL A 180 14.358 6.329 -20.220 1.00 0.00 H new ATOM 0 HG11 VAL A 180 15.994 4.696 -21.061 1.00 0.00 H new ATOM 0 HG12 VAL A 180 16.349 5.185 -19.387 1.00 0.00 H new ATOM 0 HG13 VAL A 180 15.595 3.606 -19.712 1.00 0.00 H new ATOM 0 HG21 VAL A 180 13.665 4.650 -21.881 1.00 0.00 H new ATOM 0 HG22 VAL A 180 13.169 3.559 -20.565 1.00 0.00 H new ATOM 0 HG23 VAL A 180 12.324 5.107 -20.804 1.00 0.00 H new ATOM 904 N ASN A 181 14.391 7.373 -17.529 1.00 0.00 N ATOM 905 CA ASN A 181 15.186 8.292 -16.722 1.00 0.00 C ATOM 906 C ASN A 181 15.024 7.991 -15.236 1.00 0.00 C ATOM 907 O ASN A 181 15.918 8.267 -14.435 1.00 0.00 O ATOM 908 CB ASN A 181 14.777 9.739 -17.008 1.00 0.00 C ATOM 909 CG ASN A 181 15.969 10.630 -17.299 1.00 0.00 C ATOM 910 OD1 ASN A 181 15.952 11.421 -18.242 1.00 0.00 O ATOM 911 ND2 ASN A 181 17.014 10.504 -16.488 1.00 0.00 N ATOM 0 H ASN A 181 13.617 7.812 -18.029 1.00 0.00 H new ATOM 0 HA ASN A 181 16.234 8.157 -16.990 1.00 0.00 H new ATOM 0 HB2 ASN A 181 14.095 9.760 -17.858 1.00 0.00 H new ATOM 0 HB3 ASN A 181 14.231 10.135 -16.152 1.00 0.00 H new ATOM 0 HD21 ASN A 181 17.846 11.076 -16.635 1.00 0.00 H new ATOM 0 HD22 ASN A 181 16.985 9.835 -15.718 1.00 0.00 H new ATOM 918 N ILE A 182 13.879 7.422 -14.874 1.00 0.00 N ATOM 919 CA ILE A 182 13.601 7.082 -13.484 1.00 0.00 C ATOM 920 C ILE A 182 14.653 6.126 -12.932 1.00 0.00 C ATOM 921 O ILE A 182 15.281 6.399 -11.908 1.00 0.00 O ATOM 922 CB ILE A 182 12.209 6.441 -13.329 1.00 0.00 C ATOM 923 CG1 ILE A 182 11.126 7.390 -13.849 1.00 0.00 C ATOM 924 CG2 ILE A 182 11.951 6.081 -11.873 1.00 0.00 C ATOM 925 CD1 ILE A 182 11.119 8.735 -13.157 1.00 0.00 C ATOM 0 H ILE A 182 13.129 7.187 -15.524 1.00 0.00 H new ATOM 0 HA ILE A 182 13.628 8.014 -12.919 1.00 0.00 H new ATOM 0 HB ILE A 182 12.178 5.526 -13.920 1.00 0.00 H new ATOM 0 HG12 ILE A 182 11.270 7.541 -14.919 1.00 0.00 H new ATOM 0 HG13 ILE A 182 10.151 6.920 -13.722 1.00 0.00 H new ATOM 0 HG21 ILE A 182 10.964 5.629 -11.779 1.00 0.00 H new ATOM 0 HG22 ILE A 182 12.708 5.373 -11.534 1.00 0.00 H new ATOM 0 HG23 ILE A 182 11.997 6.982 -11.262 1.00 0.00 H new ATOM 0 HD11 ILE A 182 10.327 9.356 -13.576 1.00 0.00 H new ATOM 0 HD12 ILE A 182 10.944 8.594 -12.090 1.00 0.00 H new ATOM 0 HD13 ILE A 182 12.081 9.226 -13.306 1.00 0.00 H new ATOM 937 N THR A 183 14.842 5.002 -13.617 1.00 0.00 N ATOM 938 CA THR A 183 15.818 4.005 -13.196 1.00 0.00 C ATOM 939 C THR A 183 17.204 4.622 -13.045 1.00 0.00 C ATOM 940 O THR A 183 17.819 4.535 -11.983 1.00 0.00 O ATOM 941 CB THR A 183 15.894 2.836 -14.196 1.00 0.00 C ATOM 942 OG1 THR A 183 14.635 2.677 -14.861 1.00 0.00 O ATOM 943 CG2 THR A 183 16.267 1.542 -13.489 1.00 0.00 C ATOM 0 H THR A 183 14.331 4.760 -14.466 1.00 0.00 H new ATOM 0 HA THR A 183 15.486 3.625 -12.230 1.00 0.00 H new ATOM 0 HB THR A 183 16.666 3.065 -14.931 1.00 0.00 H new ATOM 0 HG1 THR A 183 14.692 1.933 -15.496 1.00 0.00 H new ATOM 0 HG21 THR A 183 16.314 0.731 -14.216 1.00 0.00 H new ATOM 0 HG22 THR A 183 17.239 1.657 -13.009 1.00 0.00 H new ATOM 0 HG23 THR A 183 15.515 1.310 -12.735 1.00 0.00 H new ATOM 951 N ILE A 184 17.688 5.244 -14.115 1.00 0.00 N ATOM 952 CA ILE A 184 19.001 5.877 -14.100 1.00 0.00 C ATOM 953 C ILE A 184 19.132 6.844 -12.928 1.00 0.00 C ATOM 954 O ILE A 184 20.198 6.966 -12.324 1.00 0.00 O ATOM 955 CB ILE A 184 19.276 6.636 -15.411 1.00 0.00 C ATOM 956 CG1 ILE A 184 19.096 5.705 -16.612 1.00 0.00 C ATOM 957 CG2 ILE A 184 20.677 7.228 -15.398 1.00 0.00 C ATOM 958 CD1 ILE A 184 19.986 4.482 -16.567 1.00 0.00 C ATOM 0 H ILE A 184 17.191 5.323 -15.002 1.00 0.00 H new ATOM 0 HA ILE A 184 19.735 5.078 -13.992 1.00 0.00 H new ATOM 0 HB ILE A 184 18.559 7.453 -15.497 1.00 0.00 H new ATOM 0 HG12 ILE A 184 18.055 5.385 -16.661 1.00 0.00 H new ATOM 0 HG13 ILE A 184 19.302 6.261 -17.527 1.00 0.00 H new ATOM 0 HG21 ILE A 184 20.855 7.761 -16.332 1.00 0.00 H new ATOM 0 HG22 ILE A 184 20.772 7.920 -14.561 1.00 0.00 H new ATOM 0 HG23 ILE A 184 21.409 6.428 -15.292 1.00 0.00 H new ATOM 0 HD11 ILE A 184 19.805 3.868 -17.449 1.00 0.00 H new ATOM 0 HD12 ILE A 184 21.031 4.793 -16.549 1.00 0.00 H new ATOM 0 HD13 ILE A 184 19.764 3.903 -15.670 1.00 0.00 H new ATOM 970 N LYS A 185 18.040 7.531 -12.611 1.00 0.00 N ATOM 971 CA LYS A 185 18.029 8.486 -11.509 1.00 0.00 C ATOM 972 C LYS A 185 18.544 7.843 -10.226 1.00 0.00 C ATOM 973 O LYS A 185 19.560 8.264 -9.675 1.00 0.00 O ATOM 974 CB LYS A 185 16.614 9.027 -11.290 1.00 0.00 C ATOM 975 CG LYS A 185 16.571 10.298 -10.459 1.00 0.00 C ATOM 976 CD LYS A 185 15.611 10.167 -9.289 1.00 0.00 C ATOM 977 CE LYS A 185 15.529 11.457 -8.488 1.00 0.00 C ATOM 978 NZ LYS A 185 16.776 11.710 -7.714 1.00 0.00 N ATOM 0 H LYS A 185 17.150 7.444 -13.102 1.00 0.00 H new ATOM 0 HA LYS A 185 18.690 9.312 -11.770 1.00 0.00 H new ATOM 0 HB2 LYS A 185 16.154 9.221 -12.259 1.00 0.00 H new ATOM 0 HB3 LYS A 185 16.013 8.261 -10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 185 17.570 10.525 -10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 185 16.267 11.135 -11.088 1.00 0.00 H new ATOM 0 HD2 LYS A 185 14.620 9.903 -9.658 1.00 0.00 H new ATOM 0 HD3 LYS A 185 15.936 9.354 -8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 185 15.345 12.293 -9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 185 14.681 11.407 -7.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 16.661 12.571 -7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 16.966 10.902 -7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 17.573 11.834 -8.371 1.00 0.00 H new ATOM 992 N GLN A 186 17.836 6.820 -9.757 1.00 0.00 N ATOM 993 CA GLN A 186 18.223 6.119 -8.539 1.00 0.00 C ATOM 994 C GLN A 186 19.576 5.436 -8.710 1.00 0.00 C ATOM 995 O GLN A 186 20.294 5.204 -7.737 1.00 0.00 O ATOM 996 CB GLN A 186 17.161 5.085 -8.161 1.00 0.00 C ATOM 997 CG GLN A 186 16.104 5.620 -7.208 1.00 0.00 C ATOM 998 CD GLN A 186 15.269 6.725 -7.823 1.00 0.00 C ATOM 999 OE1 GLN A 186 15.002 6.722 -9.025 1.00 0.00 O ATOM 1000 NE2 GLN A 186 14.851 7.680 -7.000 1.00 0.00 N ATOM 0 H GLN A 186 16.992 6.459 -10.202 1.00 0.00 H new ATOM 0 HA GLN A 186 18.306 6.854 -7.738 1.00 0.00 H new ATOM 0 HB2 GLN A 186 16.673 4.729 -9.068 1.00 0.00 H new ATOM 0 HB3 GLN A 186 17.650 4.225 -7.703 1.00 0.00 H new ATOM 0 HG2 GLN A 186 15.450 4.804 -6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 186 16.589 5.995 -6.307 1.00 0.00 H new ATOM 0 HE21 GLN A 186 15.095 7.643 -6.010 1.00 0.00 H new ATOM 0 HE22 GLN A 186 14.286 8.450 -7.358 1.00 0.00 H new ATOM 1009 N HIS A 187 19.918 5.115 -9.954 1.00 0.00 N ATOM 1010 CA HIS A 187 21.186 4.459 -10.253 1.00 0.00 C ATOM 1011 C HIS A 187 22.355 5.235 -9.654 1.00 0.00 C ATOM 1012 O HIS A 187 23.390 4.659 -9.317 1.00 0.00 O ATOM 1013 CB HIS A 187 21.370 4.322 -11.765 1.00 0.00 C ATOM 1014 CG HIS A 187 22.125 3.094 -12.168 1.00 0.00 C ATOM 1015 ND1 HIS A 187 21.582 2.100 -12.954 1.00 0.00 N ATOM 1016 CD2 HIS A 187 23.391 2.702 -11.890 1.00 0.00 C ATOM 1017 CE1 HIS A 187 22.479 1.149 -13.141 1.00 0.00 C ATOM 1018 NE2 HIS A 187 23.586 1.490 -12.506 1.00 0.00 N ATOM 0 H HIS A 187 19.335 5.298 -10.771 1.00 0.00 H new ATOM 0 HA HIS A 187 21.166 3.465 -9.806 1.00 0.00 H new ATOM 0 HB2 HIS A 187 20.390 4.309 -12.242 1.00 0.00 H new ATOM 0 HB3 HIS A 187 21.895 5.201 -12.140 1.00 0.00 H new ATOM 0 HD2 HIS A 187 24.113 3.242 -11.295 1.00 0.00 H new ATOM 0 HE1 HIS A 187 22.332 0.246 -13.715 1.00 0.00 H new ATOM 0 HE2 HIS A 187 24.446 0.942 -12.478 1.00 0.00 H new ATOM 1026 N THR A 188 22.184 6.547 -9.526 1.00 0.00 N ATOM 1027 CA THR A 188 23.224 7.403 -8.970 1.00 0.00 C ATOM 1028 C THR A 188 23.661 6.914 -7.594 1.00 0.00 C ATOM 1029 O THR A 188 24.790 7.159 -7.167 1.00 0.00 O ATOM 1030 CB THR A 188 22.749 8.864 -8.857 1.00 0.00 C ATOM 1031 OG1 THR A 188 23.851 9.712 -8.515 1.00 0.00 O ATOM 1032 CG2 THR A 188 21.655 8.997 -7.808 1.00 0.00 C ATOM 0 H THR A 188 21.334 7.040 -9.800 1.00 0.00 H new ATOM 0 HA THR A 188 24.071 7.357 -9.655 1.00 0.00 H new ATOM 0 HB THR A 188 22.344 9.168 -9.822 1.00 0.00 H new ATOM 0 HG1 THR A 188 23.541 10.639 -8.447 1.00 0.00 H new ATOM 0 HG21 THR A 188 21.335 10.037 -7.746 1.00 0.00 H new ATOM 0 HG22 THR A 188 20.806 8.372 -8.086 1.00 0.00 H new ATOM 0 HG23 THR A 188 22.039 8.677 -6.839 1.00 0.00 H new ATOM 1040 N VAL A 189 22.761 6.222 -6.903 1.00 0.00 N ATOM 1041 CA VAL A 189 23.055 5.697 -5.575 1.00 0.00 C ATOM 1042 C VAL A 189 24.077 4.568 -5.644 1.00 0.00 C ATOM 1043 O VAL A 189 25.080 4.578 -4.930 1.00 0.00 O ATOM 1044 CB VAL A 189 21.780 5.180 -4.882 1.00 0.00 C ATOM 1045 CG1 VAL A 189 22.109 4.631 -3.502 1.00 0.00 C ATOM 1046 CG2 VAL A 189 20.738 6.284 -4.792 1.00 0.00 C ATOM 0 H VAL A 189 21.822 6.012 -7.241 1.00 0.00 H new ATOM 0 HA VAL A 189 23.468 6.521 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 189 21.365 4.369 -5.480 1.00 0.00 H new ATOM 0 HG11 VAL A 189 21.197 4.270 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 189 22.818 3.809 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 189 22.548 5.420 -2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 189 19.844 5.901 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 189 21.140 7.118 -4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 189 20.482 6.625 -5.795 1.00 0.00 H new ATOM 1056 N THR A 190 23.816 3.593 -6.510 1.00 0.00 N ATOM 1057 CA THR A 190 24.713 2.456 -6.673 1.00 0.00 C ATOM 1058 C THR A 190 26.134 2.915 -6.979 1.00 0.00 C ATOM 1059 O THR A 190 27.102 2.216 -6.678 1.00 0.00 O ATOM 1060 CB THR A 190 24.234 1.520 -7.798 1.00 0.00 C ATOM 1061 OG1 THR A 190 22.926 1.020 -7.497 1.00 0.00 O ATOM 1062 CG2 THR A 190 25.197 0.356 -7.981 1.00 0.00 C ATOM 0 H THR A 190 22.991 3.568 -7.109 1.00 0.00 H new ATOM 0 HA THR A 190 24.706 1.911 -5.729 1.00 0.00 H new ATOM 0 HB THR A 190 24.199 2.092 -8.725 1.00 0.00 H new ATOM 0 HG1 THR A 190 22.628 0.427 -8.218 1.00 0.00 H new ATOM 0 HG21 THR A 190 24.838 -0.291 -8.781 1.00 0.00 H new ATOM 0 HG22 THR A 190 26.185 0.738 -8.239 1.00 0.00 H new ATOM 0 HG23 THR A 190 25.260 -0.214 -7.054 1.00 0.00 H new ATOM 1070 N THR A 191 26.253 4.095 -7.579 1.00 0.00 N ATOM 1071 CA THR A 191 27.556 4.647 -7.927 1.00 0.00 C ATOM 1072 C THR A 191 28.456 4.746 -6.701 1.00 0.00 C ATOM 1073 O THR A 191 29.682 4.738 -6.815 1.00 0.00 O ATOM 1074 CB THR A 191 27.422 6.043 -8.566 1.00 0.00 C ATOM 1075 OG1 THR A 191 26.537 5.984 -9.690 1.00 0.00 O ATOM 1076 CG2 THR A 191 28.780 6.567 -9.010 1.00 0.00 C ATOM 0 H THR A 191 25.462 4.687 -7.834 1.00 0.00 H new ATOM 0 HA THR A 191 28.005 3.966 -8.650 1.00 0.00 H new ATOM 0 HB THR A 191 27.014 6.723 -7.818 1.00 0.00 H new ATOM 0 HG1 THR A 191 26.456 6.875 -10.089 1.00 0.00 H new ATOM 0 HG21 THR A 191 28.661 7.553 -9.458 1.00 0.00 H new ATOM 0 HG22 THR A 191 29.442 6.638 -8.147 1.00 0.00 H new ATOM 0 HG23 THR A 191 29.211 5.885 -9.743 1.00 0.00 H new ATOM 1084 N THR A 192 27.840 4.840 -5.526 1.00 0.00 N ATOM 1085 CA THR A 192 28.586 4.941 -4.278 1.00 0.00 C ATOM 1086 C THR A 192 29.191 3.597 -3.889 1.00 0.00 C ATOM 1087 O THR A 192 30.217 3.539 -3.210 1.00 0.00 O ATOM 1088 CB THR A 192 27.692 5.441 -3.128 1.00 0.00 C ATOM 1089 OG1 THR A 192 27.079 6.684 -3.489 1.00 0.00 O ATOM 1090 CG2 THR A 192 28.500 5.619 -1.852 1.00 0.00 C ATOM 0 H THR A 192 26.826 4.848 -5.413 1.00 0.00 H new ATOM 0 HA THR A 192 29.386 5.662 -4.446 1.00 0.00 H new ATOM 0 HB THR A 192 26.919 4.694 -2.947 1.00 0.00 H new ATOM 0 HG1 THR A 192 26.511 6.994 -2.753 1.00 0.00 H new ATOM 0 HG21 THR A 192 27.847 5.973 -1.054 1.00 0.00 H new ATOM 0 HG22 THR A 192 28.940 4.664 -1.564 1.00 0.00 H new ATOM 0 HG23 THR A 192 29.293 6.348 -2.022 1.00 0.00 H new ATOM 1098 N THR A 193 28.550 2.516 -4.323 1.00 0.00 N ATOM 1099 CA THR A 193 29.025 1.172 -4.020 1.00 0.00 C ATOM 1100 C THR A 193 30.493 1.010 -4.398 1.00 0.00 C ATOM 1101 O THR A 193 31.262 0.367 -3.682 1.00 0.00 O ATOM 1102 CB THR A 193 28.196 0.104 -4.757 1.00 0.00 C ATOM 1103 OG1 THR A 193 26.812 0.235 -4.414 1.00 0.00 O ATOM 1104 CG2 THR A 193 28.680 -1.295 -4.404 1.00 0.00 C ATOM 0 H THR A 193 27.700 2.546 -4.886 1.00 0.00 H new ATOM 0 HA THR A 193 28.912 1.031 -2.945 1.00 0.00 H new ATOM 0 HB THR A 193 28.320 0.255 -5.829 1.00 0.00 H new ATOM 0 HG1 THR A 193 26.428 1.000 -4.891 1.00 0.00 H new ATOM 0 HG21 THR A 193 28.080 -2.033 -4.936 1.00 0.00 H new ATOM 0 HG22 THR A 193 29.726 -1.402 -4.692 1.00 0.00 H new ATOM 0 HG23 THR A 193 28.582 -1.454 -3.330 1.00 0.00 H new ATOM 1112 N LYS A 194 30.877 1.597 -5.526 1.00 0.00 N ATOM 1113 CA LYS A 194 32.255 1.519 -5.999 1.00 0.00 C ATOM 1114 C LYS A 194 33.002 2.818 -5.713 1.00 0.00 C ATOM 1115 O LYS A 194 34.227 2.875 -5.811 1.00 0.00 O ATOM 1116 CB LYS A 194 32.284 1.222 -7.500 1.00 0.00 C ATOM 1117 CG LYS A 194 33.656 0.819 -8.013 1.00 0.00 C ATOM 1118 CD LYS A 194 33.732 -0.673 -8.290 1.00 0.00 C ATOM 1119 CE LYS A 194 35.093 -1.240 -7.918 1.00 0.00 C ATOM 1120 NZ LYS A 194 34.977 -2.559 -7.236 1.00 0.00 N ATOM 0 H LYS A 194 30.254 2.132 -6.130 1.00 0.00 H new ATOM 0 HA LYS A 194 32.752 0.709 -5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 194 31.575 0.423 -7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 194 31.947 2.105 -8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 194 33.881 1.371 -8.925 1.00 0.00 H new ATOM 0 HG3 LYS A 194 34.414 1.093 -7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 194 32.955 -1.189 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 194 33.536 -0.859 -9.346 1.00 0.00 H new ATOM 0 HE2 LYS A 194 35.699 -1.348 -8.817 1.00 0.00 H new ATOM 0 HE3 LYS A 194 35.613 -0.538 -7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 35.926 -2.912 -6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 34.420 -2.451 -6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 34.504 -3.236 -7.868 1.00 0.00 H new ATOM 1134 N GLY A 195 32.256 3.859 -5.357 1.00 0.00 N ATOM 1135 CA GLY A 195 32.866 5.142 -5.060 1.00 0.00 C ATOM 1136 C GLY A 195 33.570 5.740 -6.262 1.00 0.00 C ATOM 1137 O GLY A 195 34.425 6.614 -6.116 1.00 0.00 O ATOM 0 H GLY A 195 31.240 3.837 -5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 195 32.099 5.833 -4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 195 33.581 5.021 -4.246 1.00 0.00 H new ATOM 1141 N GLU A 196 33.212 5.268 -7.452 1.00 0.00 N ATOM 1142 CA GLU A 196 33.819 5.761 -8.682 1.00 0.00 C ATOM 1143 C GLU A 196 32.890 6.743 -9.392 1.00 0.00 C ATOM 1144 O GLU A 196 31.774 6.994 -8.940 1.00 0.00 O ATOM 1145 CB GLU A 196 34.155 4.595 -9.614 1.00 0.00 C ATOM 1146 CG GLU A 196 35.530 3.998 -9.370 1.00 0.00 C ATOM 1147 CD GLU A 196 36.218 3.572 -10.653 1.00 0.00 C ATOM 1148 OE1 GLU A 196 36.611 4.459 -11.439 1.00 0.00 O ATOM 1149 OE2 GLU A 196 36.362 2.350 -10.870 1.00 0.00 O ATOM 0 H GLU A 196 32.505 4.546 -7.590 1.00 0.00 H new ATOM 0 HA GLU A 196 34.739 6.283 -8.419 1.00 0.00 H new ATOM 0 HB2 GLU A 196 33.403 3.815 -9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 196 34.095 4.938 -10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 196 36.153 4.729 -8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 196 35.436 3.136 -8.709 1.00 0.00 H new ATOM 1156 N ASN A 197 33.361 7.294 -10.506 1.00 0.00 N ATOM 1157 CA ASN A 197 32.573 8.248 -11.278 1.00 0.00 C ATOM 1158 C ASN A 197 32.232 7.685 -12.654 1.00 0.00 C ATOM 1159 O ASN A 197 32.882 6.757 -13.136 1.00 0.00 O ATOM 1160 CB ASN A 197 33.336 9.566 -11.429 1.00 0.00 C ATOM 1161 CG ASN A 197 33.710 10.174 -10.091 1.00 0.00 C ATOM 1162 OD1 ASN A 197 34.880 10.453 -9.829 1.00 0.00 O ATOM 1163 ND2 ASN A 197 32.715 10.383 -9.237 1.00 0.00 N ATOM 0 H ASN A 197 34.283 7.097 -10.894 1.00 0.00 H new ATOM 0 HA ASN A 197 31.643 8.433 -10.740 1.00 0.00 H new ATOM 0 HB2 ASN A 197 34.241 9.394 -12.013 1.00 0.00 H new ATOM 0 HB3 ASN A 197 32.725 10.274 -11.989 1.00 0.00 H new ATOM 0 HD21 ASN A 197 32.906 10.790 -8.321 1.00 0.00 H new ATOM 0 HD22 ASN A 197 31.760 10.136 -9.497 1.00 0.00 H new ATOM 1170 N PHE A 198 31.207 8.252 -13.282 1.00 0.00 N ATOM 1171 CA PHE A 198 30.779 7.807 -14.603 1.00 0.00 C ATOM 1172 C PHE A 198 30.909 8.932 -15.625 1.00 0.00 C ATOM 1173 O PHE A 198 30.695 10.103 -15.309 1.00 0.00 O ATOM 1174 CB PHE A 198 29.331 7.314 -14.553 1.00 0.00 C ATOM 1175 CG PHE A 198 29.189 5.930 -13.987 1.00 0.00 C ATOM 1176 CD1 PHE A 198 29.241 5.718 -12.618 1.00 0.00 C ATOM 1177 CD2 PHE A 198 29.002 4.841 -14.823 1.00 0.00 C ATOM 1178 CE1 PHE A 198 29.111 4.445 -12.095 1.00 0.00 C ATOM 1179 CE2 PHE A 198 28.871 3.566 -14.305 1.00 0.00 C ATOM 1180 CZ PHE A 198 28.924 3.368 -12.939 1.00 0.00 C ATOM 0 H PHE A 198 30.658 9.020 -12.897 1.00 0.00 H new ATOM 0 HA PHE A 198 31.426 6.985 -14.909 1.00 0.00 H new ATOM 0 HB2 PHE A 198 28.740 8.006 -13.953 1.00 0.00 H new ATOM 0 HB3 PHE A 198 28.915 7.331 -15.560 1.00 0.00 H new ATOM 0 HD1 PHE A 198 29.385 6.557 -11.953 1.00 0.00 H new ATOM 0 HD2 PHE A 198 28.958 4.990 -15.892 1.00 0.00 H new ATOM 0 HE1 PHE A 198 29.156 4.293 -11.027 1.00 0.00 H new ATOM 0 HE2 PHE A 198 28.727 2.725 -14.968 1.00 0.00 H new ATOM 0 HZ PHE A 198 28.819 2.373 -12.532 1.00 0.00 H new ATOM 1190 N THR A 199 31.263 8.568 -16.854 1.00 0.00 N ATOM 1191 CA THR A 199 31.425 9.545 -17.923 1.00 0.00 C ATOM 1192 C THR A 199 30.115 9.763 -18.671 1.00 0.00 C ATOM 1193 O THR A 199 29.212 8.929 -18.616 1.00 0.00 O ATOM 1194 CB THR A 199 32.509 9.106 -18.926 1.00 0.00 C ATOM 1195 OG1 THR A 199 32.220 7.792 -19.415 1.00 0.00 O ATOM 1196 CG2 THR A 199 33.884 9.121 -18.277 1.00 0.00 C ATOM 0 H THR A 199 31.443 7.604 -17.133 1.00 0.00 H new ATOM 0 HA THR A 199 31.732 10.479 -17.453 1.00 0.00 H new ATOM 0 HB THR A 199 32.510 9.810 -19.758 1.00 0.00 H new ATOM 0 HG1 THR A 199 32.913 7.521 -20.053 1.00 0.00 H new ATOM 0 HG21 THR A 199 34.633 8.807 -19.004 1.00 0.00 H new ATOM 0 HG22 THR A 199 34.113 10.129 -17.932 1.00 0.00 H new ATOM 0 HG23 THR A 199 33.893 8.437 -17.429 1.00 0.00 H new ATOM 1204 N GLU A 200 30.018 10.890 -19.371 1.00 0.00 N ATOM 1205 CA GLU A 200 28.817 11.216 -20.130 1.00 0.00 C ATOM 1206 C GLU A 200 28.574 10.190 -21.233 1.00 0.00 C ATOM 1207 O GLU A 200 27.437 9.962 -21.647 1.00 0.00 O ATOM 1208 CB GLU A 200 28.936 12.615 -20.738 1.00 0.00 C ATOM 1209 CG GLU A 200 30.079 12.753 -21.730 1.00 0.00 C ATOM 1210 CD GLU A 200 30.286 14.185 -22.186 1.00 0.00 C ATOM 1211 OE1 GLU A 200 29.513 14.650 -23.050 1.00 0.00 O ATOM 1212 OE2 GLU A 200 31.221 14.839 -21.678 1.00 0.00 O ATOM 0 H GLU A 200 30.756 11.591 -19.428 1.00 0.00 H new ATOM 0 HA GLU A 200 27.969 11.195 -19.445 1.00 0.00 H new ATOM 0 HB2 GLU A 200 28.000 12.865 -21.238 1.00 0.00 H new ATOM 0 HB3 GLU A 200 29.073 13.340 -19.936 1.00 0.00 H new ATOM 0 HG2 GLU A 200 30.998 12.385 -21.274 1.00 0.00 H new ATOM 0 HG3 GLU A 200 29.880 12.124 -22.598 1.00 0.00 H new ATOM 1219 N THR A 201 29.652 9.571 -21.706 1.00 0.00 N ATOM 1220 CA THR A 201 29.558 8.571 -22.761 1.00 0.00 C ATOM 1221 C THR A 201 29.204 7.202 -22.191 1.00 0.00 C ATOM 1222 O THR A 201 28.384 6.478 -22.754 1.00 0.00 O ATOM 1223 CB THR A 201 30.877 8.460 -23.549 1.00 0.00 C ATOM 1224 OG1 THR A 201 31.344 9.765 -23.908 1.00 0.00 O ATOM 1225 CG2 THR A 201 30.689 7.621 -24.804 1.00 0.00 C ATOM 0 H THR A 201 30.601 9.746 -21.374 1.00 0.00 H new ATOM 0 HA THR A 201 28.766 8.897 -23.435 1.00 0.00 H new ATOM 0 HB THR A 201 31.615 7.972 -22.912 1.00 0.00 H new ATOM 0 HG1 THR A 201 32.184 9.686 -24.407 1.00 0.00 H new ATOM 0 HG21 THR A 201 31.634 7.557 -25.344 1.00 0.00 H new ATOM 0 HG22 THR A 201 30.361 6.619 -24.526 1.00 0.00 H new ATOM 0 HG23 THR A 201 29.937 8.085 -25.442 1.00 0.00 H new ATOM 1233 N ASP A 202 29.827 6.854 -21.070 1.00 0.00 N ATOM 1234 CA ASP A 202 29.576 5.572 -20.422 1.00 0.00 C ATOM 1235 C ASP A 202 28.166 5.523 -19.842 1.00 0.00 C ATOM 1236 O ASP A 202 27.435 4.553 -20.039 1.00 0.00 O ATOM 1237 CB ASP A 202 30.604 5.324 -19.318 1.00 0.00 C ATOM 1238 CG ASP A 202 30.525 3.918 -18.757 1.00 0.00 C ATOM 1239 OD1 ASP A 202 29.560 3.200 -19.091 1.00 0.00 O ATOM 1240 OD2 ASP A 202 31.428 3.535 -17.983 1.00 0.00 O ATOM 0 H ASP A 202 30.509 7.442 -20.591 1.00 0.00 H new ATOM 0 HA ASP A 202 29.667 4.789 -21.175 1.00 0.00 H new ATOM 0 HB2 ASP A 202 31.605 5.499 -19.712 1.00 0.00 H new ATOM 0 HB3 ASP A 202 30.448 6.042 -18.513 1.00 0.00 H new ATOM 1245 N VAL A 203 27.791 6.577 -19.123 1.00 0.00 N ATOM 1246 CA VAL A 203 26.468 6.655 -18.513 1.00 0.00 C ATOM 1247 C VAL A 203 25.372 6.440 -19.550 1.00 0.00 C ATOM 1248 O VAL A 203 24.311 5.895 -19.245 1.00 0.00 O ATOM 1249 CB VAL A 203 26.248 8.013 -17.823 1.00 0.00 C ATOM 1250 CG1 VAL A 203 26.308 9.145 -18.838 1.00 0.00 C ATOM 1251 CG2 VAL A 203 24.921 8.024 -17.079 1.00 0.00 C ATOM 0 H VAL A 203 28.384 7.388 -18.949 1.00 0.00 H new ATOM 0 HA VAL A 203 26.417 5.864 -17.765 1.00 0.00 H new ATOM 0 HB VAL A 203 27.047 8.165 -17.097 1.00 0.00 H new ATOM 0 HG11 VAL A 203 26.150 10.097 -18.331 1.00 0.00 H new ATOM 0 HG12 VAL A 203 27.285 9.149 -19.321 1.00 0.00 H new ATOM 0 HG13 VAL A 203 25.532 9.001 -19.590 1.00 0.00 H new ATOM 0 HG21 VAL A 203 24.782 8.992 -16.597 1.00 0.00 H new ATOM 0 HG22 VAL A 203 24.108 7.849 -17.783 1.00 0.00 H new ATOM 0 HG23 VAL A 203 24.921 7.239 -16.323 1.00 0.00 H new ATOM 1261 N LYS A 204 25.634 6.873 -20.779 1.00 0.00 N ATOM 1262 CA LYS A 204 24.671 6.727 -21.864 1.00 0.00 C ATOM 1263 C LYS A 204 24.506 5.261 -22.252 1.00 0.00 C ATOM 1264 O LYS A 204 23.421 4.831 -22.642 1.00 0.00 O ATOM 1265 CB LYS A 204 25.116 7.541 -23.081 1.00 0.00 C ATOM 1266 CG LYS A 204 24.032 8.451 -23.634 1.00 0.00 C ATOM 1267 CD LYS A 204 24.195 9.878 -23.139 1.00 0.00 C ATOM 1268 CE LYS A 204 23.024 10.752 -23.560 1.00 0.00 C ATOM 1269 NZ LYS A 204 23.189 11.269 -24.947 1.00 0.00 N ATOM 0 H LYS A 204 26.506 7.328 -21.048 1.00 0.00 H new ATOM 0 HA LYS A 204 23.709 7.102 -21.515 1.00 0.00 H new ATOM 0 HB2 LYS A 204 25.981 8.145 -22.807 1.00 0.00 H new ATOM 0 HB3 LYS A 204 25.440 6.858 -23.866 1.00 0.00 H new ATOM 0 HG2 LYS A 204 24.065 8.437 -24.723 1.00 0.00 H new ATOM 0 HG3 LYS A 204 23.053 8.073 -23.340 1.00 0.00 H new ATOM 0 HD2 LYS A 204 24.279 9.880 -22.052 1.00 0.00 H new ATOM 0 HD3 LYS A 204 25.122 10.296 -23.531 1.00 0.00 H new ATOM 0 HE2 LYS A 204 22.100 10.178 -23.494 1.00 0.00 H new ATOM 0 HE3 LYS A 204 22.929 11.590 -22.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 204 22.371 11.860 -25.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 204 24.058 11.838 -25.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 204 23.254 10.470 -25.610 1.00 0.00 H new ATOM 1283 N MET A 205 25.589 4.499 -22.142 1.00 0.00 N ATOM 1284 CA MET A 205 25.562 3.081 -22.479 1.00 0.00 C ATOM 1285 C MET A 205 24.596 2.324 -21.573 1.00 0.00 C ATOM 1286 O MET A 205 23.885 1.426 -22.021 1.00 0.00 O ATOM 1287 CB MET A 205 26.965 2.480 -22.362 1.00 0.00 C ATOM 1288 CG MET A 205 28.010 3.214 -23.187 1.00 0.00 C ATOM 1289 SD MET A 205 28.872 2.128 -24.340 1.00 0.00 S ATOM 1290 CE MET A 205 30.514 2.110 -23.625 1.00 0.00 C ATOM 0 H MET A 205 26.496 4.840 -21.822 1.00 0.00 H new ATOM 0 HA MET A 205 25.217 2.985 -23.509 1.00 0.00 H new ATOM 0 HB2 MET A 205 27.269 2.488 -21.315 1.00 0.00 H new ATOM 0 HB3 MET A 205 26.932 1.437 -22.677 1.00 0.00 H new ATOM 0 HG2 MET A 205 27.529 4.019 -23.743 1.00 0.00 H new ATOM 0 HG3 MET A 205 28.736 3.677 -22.518 1.00 0.00 H new ATOM 0 HE1 MET A 205 31.238 1.811 -24.383 1.00 0.00 H new ATOM 0 HE2 MET A 205 30.762 3.106 -23.259 1.00 0.00 H new ATOM 0 HE3 MET A 205 30.543 1.401 -22.797 1.00 0.00 H new ATOM 1300 N MET A 206 24.577 2.694 -20.296 1.00 0.00 N ATOM 1301 CA MET A 206 23.697 2.051 -19.328 1.00 0.00 C ATOM 1302 C MET A 206 22.232 2.294 -19.678 1.00 0.00 C ATOM 1303 O MET A 206 21.419 1.371 -19.658 1.00 0.00 O ATOM 1304 CB MET A 206 23.989 2.568 -17.918 1.00 0.00 C ATOM 1305 CG MET A 206 25.453 2.460 -17.522 1.00 0.00 C ATOM 1306 SD MET A 206 25.695 2.518 -15.737 1.00 0.00 S ATOM 1307 CE MET A 206 25.145 4.183 -15.373 1.00 0.00 C ATOM 0 H MET A 206 25.161 3.435 -19.908 1.00 0.00 H new ATOM 0 HA MET A 206 23.886 0.978 -19.360 1.00 0.00 H new ATOM 0 HB2 MET A 206 23.679 3.611 -17.851 1.00 0.00 H new ATOM 0 HB3 MET A 206 23.385 2.009 -17.203 1.00 0.00 H new ATOM 0 HG2 MET A 206 25.863 1.527 -17.910 1.00 0.00 H new ATOM 0 HG3 MET A 206 26.012 3.272 -17.987 1.00 0.00 H new ATOM 0 HE1 MET A 206 25.896 4.690 -14.767 1.00 0.00 H new ATOM 0 HE2 MET A 206 25.001 4.730 -16.305 1.00 0.00 H new ATOM 0 HE3 MET A 206 24.203 4.144 -14.826 1.00 0.00 H new ATOM 1317 N GLU A 207 21.904 3.542 -19.998 1.00 0.00 N ATOM 1318 CA GLU A 207 20.537 3.906 -20.352 1.00 0.00 C ATOM 1319 C GLU A 207 20.060 3.113 -21.566 1.00 0.00 C ATOM 1320 O GLU A 207 18.862 2.892 -21.744 1.00 0.00 O ATOM 1321 CB GLU A 207 20.442 5.406 -20.639 1.00 0.00 C ATOM 1322 CG GLU A 207 21.116 6.270 -19.586 1.00 0.00 C ATOM 1323 CD GLU A 207 20.454 7.626 -19.434 1.00 0.00 C ATOM 1324 OE1 GLU A 207 19.211 7.670 -19.323 1.00 0.00 O ATOM 1325 OE2 GLU A 207 21.178 8.643 -19.427 1.00 0.00 O ATOM 0 H GLU A 207 22.566 4.318 -20.019 1.00 0.00 H new ATOM 0 HA GLU A 207 19.894 3.665 -19.506 1.00 0.00 H new ATOM 0 HB2 GLU A 207 20.894 5.611 -21.609 1.00 0.00 H new ATOM 0 HB3 GLU A 207 19.392 5.688 -20.711 1.00 0.00 H new ATOM 0 HG2 GLU A 207 21.096 5.751 -18.628 1.00 0.00 H new ATOM 0 HG3 GLU A 207 22.164 6.409 -19.852 1.00 0.00 H new ATOM 1332 N ARG A 208 21.006 2.689 -22.397 1.00 0.00 N ATOM 1333 CA ARG A 208 20.684 1.924 -23.595 1.00 0.00 C ATOM 1334 C ARG A 208 19.901 0.663 -23.240 1.00 0.00 C ATOM 1335 O ARG A 208 18.828 0.411 -23.788 1.00 0.00 O ATOM 1336 CB ARG A 208 21.963 1.548 -24.346 1.00 0.00 C ATOM 1337 CG ARG A 208 21.902 1.840 -25.836 1.00 0.00 C ATOM 1338 CD ARG A 208 22.940 1.038 -26.604 1.00 0.00 C ATOM 1339 NE ARG A 208 22.399 0.485 -27.843 1.00 0.00 N ATOM 1340 CZ ARG A 208 22.199 1.204 -28.942 1.00 0.00 C ATOM 1341 NH1 ARG A 208 22.496 2.496 -28.957 1.00 0.00 N ATOM 1342 NH2 ARG A 208 21.703 0.630 -30.031 1.00 0.00 N ATOM 0 H ARG A 208 22.002 2.862 -22.262 1.00 0.00 H new ATOM 0 HA ARG A 208 20.064 2.548 -24.238 1.00 0.00 H new ATOM 0 HB2 ARG A 208 22.802 2.091 -23.912 1.00 0.00 H new ATOM 0 HB3 ARG A 208 22.161 0.486 -24.200 1.00 0.00 H new ATOM 0 HG2 ARG A 208 20.907 1.605 -26.213 1.00 0.00 H new ATOM 0 HG3 ARG A 208 22.064 2.904 -26.006 1.00 0.00 H new ATOM 0 HD2 ARG A 208 23.793 1.676 -26.834 1.00 0.00 H new ATOM 0 HD3 ARG A 208 23.309 0.227 -25.976 1.00 0.00 H new ATOM 0 HE ARG A 208 22.162 -0.507 -27.866 1.00 0.00 H new ATOM 0 HH11 ARG A 208 22.879 2.941 -28.123 1.00 0.00 H new ATOM 0 HH12 ARG A 208 22.341 3.045 -29.803 1.00 0.00 H new ATOM 0 HH21 ARG A 208 21.475 -0.364 -30.025 1.00 0.00 H new ATOM 0 HH22 ARG A 208 21.550 1.183 -30.874 1.00 0.00 H new ATOM 1356 N VAL A 209 20.446 -0.126 -22.319 1.00 0.00 N ATOM 1357 CA VAL A 209 19.799 -1.360 -21.890 1.00 0.00 C ATOM 1358 C VAL A 209 18.451 -1.076 -21.235 1.00 0.00 C ATOM 1359 O VAL A 209 17.472 -1.782 -21.473 1.00 0.00 O ATOM 1360 CB VAL A 209 20.682 -2.143 -20.901 1.00 0.00 C ATOM 1361 CG1 VAL A 209 19.978 -3.411 -20.443 1.00 0.00 C ATOM 1362 CG2 VAL A 209 22.028 -2.469 -21.532 1.00 0.00 C ATOM 0 H VAL A 209 21.334 0.068 -21.856 1.00 0.00 H new ATOM 0 HA VAL A 209 19.645 -1.963 -22.785 1.00 0.00 H new ATOM 0 HB VAL A 209 20.858 -1.518 -20.025 1.00 0.00 H new ATOM 0 HG11 VAL A 209 20.618 -3.950 -19.745 1.00 0.00 H new ATOM 0 HG12 VAL A 209 19.042 -3.149 -19.950 1.00 0.00 H new ATOM 0 HG13 VAL A 209 19.769 -4.043 -21.306 1.00 0.00 H new ATOM 0 HG21 VAL A 209 22.639 -3.022 -20.819 1.00 0.00 H new ATOM 0 HG22 VAL A 209 21.874 -3.075 -22.425 1.00 0.00 H new ATOM 0 HG23 VAL A 209 22.536 -1.544 -21.804 1.00 0.00 H new ATOM 1372 N VAL A 210 18.409 -0.035 -20.409 1.00 0.00 N ATOM 1373 CA VAL A 210 17.182 0.345 -19.720 1.00 0.00 C ATOM 1374 C VAL A 210 16.050 0.594 -20.711 1.00 0.00 C ATOM 1375 O VAL A 210 14.885 0.335 -20.415 1.00 0.00 O ATOM 1376 CB VAL A 210 17.387 1.608 -18.863 1.00 0.00 C ATOM 1377 CG1 VAL A 210 16.150 1.891 -18.025 1.00 0.00 C ATOM 1378 CG2 VAL A 210 18.617 1.459 -17.981 1.00 0.00 C ATOM 0 H VAL A 210 19.211 0.560 -20.201 1.00 0.00 H new ATOM 0 HA VAL A 210 16.914 -0.487 -19.068 1.00 0.00 H new ATOM 0 HB VAL A 210 17.547 2.456 -19.529 1.00 0.00 H new ATOM 0 HG11 VAL A 210 16.313 2.787 -17.426 1.00 0.00 H new ATOM 0 HG12 VAL A 210 15.293 2.044 -18.681 1.00 0.00 H new ATOM 0 HG13 VAL A 210 15.955 1.045 -17.366 1.00 0.00 H new ATOM 0 HG21 VAL A 210 18.747 2.361 -17.382 1.00 0.00 H new ATOM 0 HG22 VAL A 210 18.490 0.601 -17.321 1.00 0.00 H new ATOM 0 HG23 VAL A 210 19.497 1.309 -18.606 1.00 0.00 H new ATOM 1388 N GLU A 211 16.403 1.099 -21.889 1.00 0.00 N ATOM 1389 CA GLU A 211 15.416 1.384 -22.924 1.00 0.00 C ATOM 1390 C GLU A 211 14.746 0.100 -23.405 1.00 0.00 C ATOM 1391 O GLU A 211 13.524 -0.031 -23.350 1.00 0.00 O ATOM 1392 CB GLU A 211 16.075 2.101 -24.104 1.00 0.00 C ATOM 1393 CG GLU A 211 15.120 2.389 -25.251 1.00 0.00 C ATOM 1394 CD GLU A 211 15.609 3.508 -26.150 1.00 0.00 C ATOM 1395 OE1 GLU A 211 16.758 3.959 -25.965 1.00 0.00 O ATOM 1396 OE2 GLU A 211 14.841 3.933 -27.038 1.00 0.00 O ATOM 0 H GLU A 211 17.364 1.319 -22.150 1.00 0.00 H new ATOM 0 HA GLU A 211 14.653 2.033 -22.494 1.00 0.00 H new ATOM 0 HB2 GLU A 211 16.503 3.040 -23.754 1.00 0.00 H new ATOM 0 HB3 GLU A 211 16.900 1.492 -24.473 1.00 0.00 H new ATOM 0 HG2 GLU A 211 14.986 1.484 -25.844 1.00 0.00 H new ATOM 0 HG3 GLU A 211 14.142 2.653 -24.847 1.00 0.00 H new ATOM 1403 N GLN A 212 15.556 -0.843 -23.876 1.00 0.00 N ATOM 1404 CA GLN A 212 15.041 -2.115 -24.367 1.00 0.00 C ATOM 1405 C GLN A 212 14.143 -2.777 -23.327 1.00 0.00 C ATOM 1406 O GLN A 212 13.213 -3.506 -23.670 1.00 0.00 O ATOM 1407 CB GLN A 212 16.196 -3.050 -24.731 1.00 0.00 C ATOM 1408 CG GLN A 212 15.814 -4.127 -25.733 1.00 0.00 C ATOM 1409 CD GLN A 212 16.325 -3.831 -27.130 1.00 0.00 C ATOM 1410 OE1 GLN A 212 16.023 -2.785 -27.705 1.00 0.00 O ATOM 1411 NE2 GLN A 212 17.103 -4.754 -27.684 1.00 0.00 N ATOM 0 H GLN A 212 16.570 -0.750 -23.928 1.00 0.00 H new ATOM 0 HA GLN A 212 14.447 -1.918 -25.260 1.00 0.00 H new ATOM 0 HB2 GLN A 212 17.016 -2.459 -25.140 1.00 0.00 H new ATOM 0 HB3 GLN A 212 16.568 -3.525 -23.823 1.00 0.00 H new ATOM 0 HG2 GLN A 212 16.212 -5.086 -25.400 1.00 0.00 H new ATOM 0 HG3 GLN A 212 14.729 -4.225 -25.760 1.00 0.00 H new ATOM 0 HE21 GLN A 212 17.328 -5.606 -27.171 1.00 0.00 H new ATOM 0 HE22 GLN A 212 17.476 -4.610 -28.623 1.00 0.00 H new ATOM 1420 N MET A 213 14.429 -2.519 -22.055 1.00 0.00 N ATOM 1421 CA MET A 213 13.646 -3.089 -20.965 1.00 0.00 C ATOM 1422 C MET A 213 12.337 -2.328 -20.779 1.00 0.00 C ATOM 1423 O MET A 213 11.304 -2.918 -20.462 1.00 0.00 O ATOM 1424 CB MET A 213 14.451 -3.068 -19.665 1.00 0.00 C ATOM 1425 CG MET A 213 15.455 -4.203 -19.552 1.00 0.00 C ATOM 1426 SD MET A 213 15.923 -4.551 -17.846 1.00 0.00 S ATOM 1427 CE MET A 213 16.514 -2.944 -17.323 1.00 0.00 C ATOM 0 H MET A 213 15.197 -1.919 -21.754 1.00 0.00 H new ATOM 0 HA MET A 213 13.411 -4.122 -21.222 1.00 0.00 H new ATOM 0 HB2 MET A 213 14.980 -2.118 -19.590 1.00 0.00 H new ATOM 0 HB3 MET A 213 13.763 -3.117 -18.821 1.00 0.00 H new ATOM 0 HG2 MET A 213 15.032 -5.103 -19.999 1.00 0.00 H new ATOM 0 HG3 MET A 213 16.347 -3.952 -20.125 1.00 0.00 H new ATOM 0 HE1 MET A 213 16.857 -3.001 -16.290 1.00 0.00 H new ATOM 0 HE2 MET A 213 17.340 -2.634 -17.963 1.00 0.00 H new ATOM 0 HE3 MET A 213 15.705 -2.217 -17.397 1.00 0.00 H new ATOM 1437 N CYS A 214 12.388 -1.015 -20.979 1.00 0.00 N ATOM 1438 CA CYS A 214 11.207 -0.173 -20.833 1.00 0.00 C ATOM 1439 C CYS A 214 10.214 -0.427 -21.963 1.00 0.00 C ATOM 1440 O CYS A 214 9.017 -0.592 -21.726 1.00 0.00 O ATOM 1441 CB CYS A 214 11.607 1.304 -20.813 1.00 0.00 C ATOM 1442 SG CYS A 214 10.276 2.428 -20.284 1.00 0.00 S ATOM 0 H CYS A 214 13.235 -0.511 -21.243 1.00 0.00 H new ATOM 0 HA CYS A 214 10.727 -0.425 -19.888 1.00 0.00 H new ATOM 0 HB2 CYS A 214 12.460 1.429 -20.146 1.00 0.00 H new ATOM 0 HB3 CYS A 214 11.937 1.593 -21.811 1.00 0.00 H new ATOM 0 HG CYS A 214 10.505 3.621 -20.748 1.00 0.00 H new ATOM 1447 N ILE A 215 10.720 -0.457 -23.191 1.00 0.00 N ATOM 1448 CA ILE A 215 9.878 -0.693 -24.358 1.00 0.00 C ATOM 1449 C ILE A 215 9.123 -2.012 -24.234 1.00 0.00 C ATOM 1450 O ILE A 215 7.919 -2.078 -24.484 1.00 0.00 O ATOM 1451 CB ILE A 215 10.706 -0.708 -25.656 1.00 0.00 C ATOM 1452 CG1 ILE A 215 11.452 0.617 -25.827 1.00 0.00 C ATOM 1453 CG2 ILE A 215 9.808 -0.976 -26.854 1.00 0.00 C ATOM 1454 CD1 ILE A 215 10.537 1.819 -25.900 1.00 0.00 C ATOM 0 H ILE A 215 11.708 -0.321 -23.404 1.00 0.00 H new ATOM 0 HA ILE A 215 9.163 0.129 -24.402 1.00 0.00 H new ATOM 0 HB ILE A 215 11.441 -1.510 -25.591 1.00 0.00 H new ATOM 0 HG12 ILE A 215 12.143 0.746 -24.994 1.00 0.00 H new ATOM 0 HG13 ILE A 215 12.053 0.572 -26.735 1.00 0.00 H new ATOM 0 HG21 ILE A 215 10.408 -0.984 -27.764 1.00 0.00 H new ATOM 0 HG22 ILE A 215 9.319 -1.943 -26.733 1.00 0.00 H new ATOM 0 HG23 ILE A 215 9.052 -0.194 -26.924 1.00 0.00 H new ATOM 0 HD11 ILE A 215 11.133 2.723 -26.021 1.00 0.00 H new ATOM 0 HD12 ILE A 215 9.863 1.712 -26.750 1.00 0.00 H new ATOM 0 HD13 ILE A 215 9.954 1.889 -24.981 1.00 0.00 H new ATOM 1466 N THR A 216 9.838 -3.063 -23.844 1.00 0.00 N ATOM 1467 CA THR A 216 9.237 -4.381 -23.686 1.00 0.00 C ATOM 1468 C THR A 216 8.115 -4.352 -22.655 1.00 0.00 C ATOM 1469 O THR A 216 7.115 -5.057 -22.793 1.00 0.00 O ATOM 1470 CB THR A 216 10.283 -5.428 -23.261 1.00 0.00 C ATOM 1471 OG1 THR A 216 11.309 -5.527 -24.254 1.00 0.00 O ATOM 1472 CG2 THR A 216 9.634 -6.789 -23.057 1.00 0.00 C ATOM 0 H THR A 216 10.835 -3.026 -23.632 1.00 0.00 H new ATOM 0 HA THR A 216 8.828 -4.661 -24.657 1.00 0.00 H new ATOM 0 HB THR A 216 10.723 -5.107 -22.317 1.00 0.00 H new ATOM 0 HG1 THR A 216 11.998 -4.852 -24.081 1.00 0.00 H new ATOM 0 HG21 THR A 216 10.392 -7.512 -22.757 1.00 0.00 H new ATOM 0 HG22 THR A 216 8.874 -6.717 -22.279 1.00 0.00 H new ATOM 0 HG23 THR A 216 9.170 -7.114 -23.988 1.00 0.00 H new ATOM 1480 N GLN A 217 8.286 -3.533 -21.622 1.00 0.00 N ATOM 1481 CA GLN A 217 7.286 -3.414 -20.568 1.00 0.00 C ATOM 1482 C GLN A 217 5.907 -3.134 -21.155 1.00 0.00 C ATOM 1483 O GLN A 217 4.888 -3.523 -20.584 1.00 0.00 O ATOM 1484 CB GLN A 217 7.674 -2.302 -19.592 1.00 0.00 C ATOM 1485 CG GLN A 217 7.525 -2.695 -18.131 1.00 0.00 C ATOM 1486 CD GLN A 217 6.238 -3.447 -17.857 1.00 0.00 C ATOM 1487 OE1 GLN A 217 5.143 -2.923 -18.066 1.00 0.00 O ATOM 1488 NE2 GLN A 217 6.362 -4.682 -17.386 1.00 0.00 N ATOM 0 H GLN A 217 9.107 -2.942 -21.493 1.00 0.00 H new ATOM 0 HA GLN A 217 7.246 -4.362 -20.031 1.00 0.00 H new ATOM 0 HB2 GLN A 217 8.708 -2.011 -19.778 1.00 0.00 H new ATOM 0 HB3 GLN A 217 7.056 -1.426 -19.789 1.00 0.00 H new ATOM 0 HG2 GLN A 217 8.373 -3.314 -17.837 1.00 0.00 H new ATOM 0 HG3 GLN A 217 7.556 -1.798 -17.513 1.00 0.00 H new ATOM 0 HE21 GLN A 217 7.289 -5.077 -17.228 1.00 0.00 H new ATOM 0 HE22 GLN A 217 5.530 -5.236 -17.182 1.00 0.00 H new ATOM 1497 N TYR A 218 5.882 -2.457 -22.297 1.00 0.00 N ATOM 1498 CA TYR A 218 4.628 -2.122 -22.960 1.00 0.00 C ATOM 1499 C TYR A 218 4.234 -3.206 -23.960 1.00 0.00 C ATOM 1500 O TYR A 218 4.974 -3.498 -24.898 1.00 0.00 O ATOM 1501 CB TYR A 218 4.747 -0.774 -23.673 1.00 0.00 C ATOM 1502 CG TYR A 218 5.029 0.381 -22.739 1.00 0.00 C ATOM 1503 CD1 TYR A 218 3.995 1.037 -22.082 1.00 0.00 C ATOM 1504 CD2 TYR A 218 6.329 0.818 -22.516 1.00 0.00 C ATOM 1505 CE1 TYR A 218 4.248 2.094 -21.229 1.00 0.00 C ATOM 1506 CE2 TYR A 218 6.591 1.873 -21.663 1.00 0.00 C ATOM 1507 CZ TYR A 218 5.548 2.508 -21.022 1.00 0.00 C ATOM 1508 OH TYR A 218 5.805 3.560 -20.173 1.00 0.00 O ATOM 0 H TYR A 218 6.717 -2.129 -22.783 1.00 0.00 H new ATOM 0 HA TYR A 218 3.851 -2.055 -22.199 1.00 0.00 H new ATOM 0 HB2 TYR A 218 5.544 -0.834 -24.415 1.00 0.00 H new ATOM 0 HB3 TYR A 218 3.822 -0.576 -24.214 1.00 0.00 H new ATOM 0 HD1 TYR A 218 2.976 0.715 -22.241 1.00 0.00 H new ATOM 0 HD2 TYR A 218 7.148 0.325 -23.018 1.00 0.00 H new ATOM 0 HE1 TYR A 218 3.433 2.594 -20.727 1.00 0.00 H new ATOM 0 HE2 TYR A 218 7.608 2.199 -21.499 1.00 0.00 H new ATOM 0 HH TYR A 218 6.759 3.575 -19.950 1.00 0.00 H new