USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=24 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 179 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 214 CYS SG : rot 57:sc= 0.517 USER MOD Set 2.1: A 157 TYR OH : rot 180:sc= -0.163 USER MOD Set 2.2: A 159 ASN : amide:sc= -0.439 K(o=-0.6,f=-2.1!) USER MOD Single : A 134 MET CE :methyl -164:sc=-0.00728 (180deg=-0.358) USER MOD Single : A 135 SER OG : rot 180:sc= 0.12 USER MOD Single : A 140 HIS : no HD1:sc= -0.0924 X(o=-0.092,f=-0.0067) USER MOD Single : A 143 SER OG : rot 12:sc= 0.509 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= -1.51 USER MOD Single : A 153 ASN : amide:sc= 0 X(o=0,f=0.34) USER MOD Single : A 154 MET CE :methyl -164:sc= -0.498 (180deg=-0.944) USER MOD Single : A 155 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 160 GLN : amide:sc= -0.561 X(o=-0.56,f=-0.39) 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 X(o=0,f=0) USER MOD Single : A 178 ASN : amide:sc= -0.083 X(o=-0.083,f=0) USER MOD Single : A 181 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 183 THR OG1 : rot -130:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 GLN : amide:sc= -0.532 K(o=-0.53,f=-5.4!) USER MOD Single : A 187 HIS : no HD1:sc= -0.0244 X(o=-0.024,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 65:sc= 0.839 USER MOD Single : A 192 THR OG1 : rot 87:sc= 0.952 USER MOD Single : A 193 THR OG1 : rot 85:sc= 0.0135 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 ASN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.0368 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 169:sc= -0.532 (180deg=-0.86) USER MOD Single : A 206 MET CE :methyl 166:sc= 0 (180deg=-0.298) USER MOD Single : A 212 GLN : amide:sc= -0.434 K(o=-0.43,f=-3!) USER MOD Single : A 213 MET CE :methyl -132:sc= -3.61 (180deg=-8.65!) USER MOD Single : A 216 THR OG1 : rot 69:sc= 0.92 USER MOD Single : A 217 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 218 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N ALA A 133 14.510 -10.949 -14.042 1.00 0.00 N ATOM 109 CA ALA A 133 15.439 -10.341 -14.986 1.00 0.00 C ATOM 110 C ALA A 133 14.949 -10.505 -16.421 1.00 0.00 C ATOM 111 O ALA A 133 13.853 -11.013 -16.658 1.00 0.00 O ATOM 112 CB ALA A 133 16.825 -10.947 -14.827 1.00 0.00 C ATOM 0 HA ALA A 133 15.494 -9.274 -14.768 1.00 0.00 H new ATOM 0 HB1 ALA A 133 17.509 -10.483 -15.538 1.00 0.00 H new ATOM 0 HB2 ALA A 133 17.184 -10.773 -13.813 1.00 0.00 H new ATOM 0 HB3 ALA A 133 16.777 -12.019 -15.016 1.00 0.00 H new ATOM 118 N MET A 134 15.767 -10.071 -17.374 1.00 0.00 N ATOM 119 CA MET A 134 15.416 -10.170 -18.786 1.00 0.00 C ATOM 120 C MET A 134 16.444 -11.005 -19.544 1.00 0.00 C ATOM 121 O MET A 134 17.644 -10.915 -19.285 1.00 0.00 O ATOM 122 CB MET A 134 15.316 -8.776 -19.408 1.00 0.00 C ATOM 123 CG MET A 134 14.128 -7.971 -18.906 1.00 0.00 C ATOM 124 SD MET A 134 14.492 -7.069 -17.388 1.00 0.00 S ATOM 125 CE MET A 134 12.945 -6.204 -17.129 1.00 0.00 C ATOM 0 H MET A 134 16.677 -9.647 -17.194 1.00 0.00 H new ATOM 0 HA MET A 134 14.447 -10.663 -18.860 1.00 0.00 H new ATOM 0 HB2 MET A 134 16.233 -8.226 -19.196 1.00 0.00 H new ATOM 0 HB3 MET A 134 15.246 -8.874 -20.491 1.00 0.00 H new ATOM 0 HG2 MET A 134 13.820 -7.266 -19.678 1.00 0.00 H new ATOM 0 HG3 MET A 134 13.287 -8.642 -18.733 1.00 0.00 H new ATOM 0 HE1 MET A 134 13.094 -5.399 -16.410 1.00 0.00 H new ATOM 0 HE2 MET A 134 12.599 -5.787 -18.075 1.00 0.00 H new ATOM 0 HE3 MET A 134 12.199 -6.900 -16.745 1.00 0.00 H new ATOM 135 N SER A 135 15.965 -11.818 -20.480 1.00 0.00 N ATOM 136 CA SER A 135 16.842 -12.671 -21.273 1.00 0.00 C ATOM 137 C SER A 135 17.440 -11.898 -22.444 1.00 0.00 C ATOM 138 O SER A 135 16.842 -10.945 -22.943 1.00 0.00 O ATOM 139 CB SER A 135 16.072 -13.888 -21.791 1.00 0.00 C ATOM 140 OG SER A 135 14.675 -13.650 -21.782 1.00 0.00 O ATOM 0 H SER A 135 14.974 -11.904 -20.708 1.00 0.00 H new ATOM 0 HA SER A 135 17.655 -13.010 -20.631 1.00 0.00 H new ATOM 0 HB2 SER A 135 16.397 -14.124 -22.804 1.00 0.00 H new ATOM 0 HB3 SER A 135 16.300 -14.756 -21.173 1.00 0.00 H new ATOM 0 HG SER A 135 14.206 -14.442 -22.119 1.00 0.00 H new ATOM 146 N ARG A 136 18.625 -12.315 -22.877 1.00 0.00 N ATOM 147 CA ARG A 136 19.306 -11.662 -23.988 1.00 0.00 C ATOM 148 C ARG A 136 19.597 -10.200 -23.663 1.00 0.00 C ATOM 149 O ARG A 136 18.958 -9.284 -24.182 1.00 0.00 O ATOM 150 CB ARG A 136 18.460 -11.755 -25.259 1.00 0.00 C ATOM 151 CG ARG A 136 18.818 -12.937 -26.144 1.00 0.00 C ATOM 152 CD ARG A 136 18.084 -12.878 -27.475 1.00 0.00 C ATOM 153 NE ARG A 136 16.655 -13.138 -27.324 1.00 0.00 N ATOM 154 CZ ARG A 136 15.749 -12.816 -28.240 1.00 0.00 C ATOM 155 NH1 ARG A 136 16.121 -12.226 -29.367 1.00 0.00 N ATOM 156 NH2 ARG A 136 14.467 -13.085 -28.030 1.00 0.00 N ATOM 0 H ARG A 136 19.134 -13.103 -22.475 1.00 0.00 H new ATOM 0 HA ARG A 136 20.253 -12.175 -24.153 1.00 0.00 H new ATOM 0 HB2 ARG A 136 17.408 -11.826 -24.981 1.00 0.00 H new ATOM 0 HB3 ARG A 136 18.577 -10.835 -25.831 1.00 0.00 H new ATOM 0 HG2 ARG A 136 19.894 -12.948 -26.320 1.00 0.00 H new ATOM 0 HG3 ARG A 136 18.569 -13.866 -25.631 1.00 0.00 H new ATOM 0 HD2 ARG A 136 18.228 -11.896 -27.925 1.00 0.00 H new ATOM 0 HD3 ARG A 136 18.515 -13.609 -28.159 1.00 0.00 H new ATOM 0 HE ARG A 136 16.335 -13.592 -26.468 1.00 0.00 H new ATOM 0 HH11 ARG A 136 17.106 -12.018 -29.533 1.00 0.00 H new ATOM 0 HH12 ARG A 136 15.423 -11.980 -30.069 1.00 0.00 H new ATOM 0 HH21 ARG A 136 14.176 -13.540 -27.164 1.00 0.00 H new ATOM 0 HH22 ARG A 136 13.772 -12.837 -28.734 1.00 0.00 H new ATOM 170 N PRO A 137 20.584 -9.973 -22.783 1.00 0.00 N ATOM 171 CA PRO A 137 20.981 -8.624 -22.369 1.00 0.00 C ATOM 172 C PRO A 137 21.671 -7.854 -23.490 1.00 0.00 C ATOM 173 O PRO A 137 21.758 -6.626 -23.449 1.00 0.00 O ATOM 174 CB PRO A 137 21.956 -8.880 -21.217 1.00 0.00 C ATOM 175 CG PRO A 137 22.501 -10.242 -21.477 1.00 0.00 C ATOM 176 CD PRO A 137 21.388 -11.017 -22.125 1.00 0.00 C ATOM 0 HA PRO A 137 20.122 -8.013 -22.091 1.00 0.00 H new ATOM 0 HB2 PRO A 137 22.750 -8.133 -21.197 1.00 0.00 H new ATOM 0 HB3 PRO A 137 21.450 -8.834 -20.253 1.00 0.00 H new ATOM 0 HG2 PRO A 137 23.374 -10.195 -22.128 1.00 0.00 H new ATOM 0 HG3 PRO A 137 22.820 -10.718 -20.550 1.00 0.00 H new ATOM 0 HD2 PRO A 137 21.769 -11.743 -22.843 1.00 0.00 H new ATOM 0 HD3 PRO A 137 20.804 -11.571 -21.391 1.00 0.00 H new ATOM 184 N ILE A 138 22.159 -8.582 -24.489 1.00 0.00 N ATOM 185 CA ILE A 138 22.839 -7.966 -25.621 1.00 0.00 C ATOM 186 C ILE A 138 21.944 -6.939 -26.308 1.00 0.00 C ATOM 187 O ILE A 138 21.064 -7.294 -27.092 1.00 0.00 O ATOM 188 CB ILE A 138 23.279 -9.019 -26.655 1.00 0.00 C ATOM 189 CG1 ILE A 138 24.119 -10.106 -25.981 1.00 0.00 C ATOM 190 CG2 ILE A 138 24.061 -8.361 -27.782 1.00 0.00 C ATOM 191 CD1 ILE A 138 25.375 -9.579 -25.323 1.00 0.00 C ATOM 0 H ILE A 138 22.096 -9.599 -24.537 1.00 0.00 H new ATOM 0 HA ILE A 138 23.723 -7.467 -25.224 1.00 0.00 H new ATOM 0 HB ILE A 138 22.389 -9.484 -27.080 1.00 0.00 H new ATOM 0 HG12 ILE A 138 23.510 -10.611 -25.231 1.00 0.00 H new ATOM 0 HG13 ILE A 138 24.395 -10.854 -26.724 1.00 0.00 H new ATOM 0 HG21 ILE A 138 24.365 -9.118 -28.505 1.00 0.00 H new ATOM 0 HG22 ILE A 138 23.433 -7.620 -28.276 1.00 0.00 H new ATOM 0 HG23 ILE A 138 24.946 -7.873 -27.374 1.00 0.00 H new ATOM 0 HD11 ILE A 138 25.920 -10.405 -24.866 1.00 0.00 H new ATOM 0 HD12 ILE A 138 26.004 -9.099 -26.072 1.00 0.00 H new ATOM 0 HD13 ILE A 138 25.107 -8.853 -24.556 1.00 0.00 H new ATOM 203 N ILE A 139 22.177 -5.666 -26.009 1.00 0.00 N ATOM 204 CA ILE A 139 21.395 -4.587 -26.600 1.00 0.00 C ATOM 205 C ILE A 139 22.081 -4.025 -27.840 1.00 0.00 C ATOM 206 O ILE A 139 23.307 -4.052 -27.951 1.00 0.00 O ATOM 207 CB ILE A 139 21.161 -3.445 -25.594 1.00 0.00 C ATOM 208 CG1 ILE A 139 20.147 -2.444 -26.152 1.00 0.00 C ATOM 209 CG2 ILE A 139 22.475 -2.750 -25.268 1.00 0.00 C ATOM 210 CD1 ILE A 139 19.187 -1.912 -25.111 1.00 0.00 C ATOM 0 H ILE A 139 22.901 -5.356 -25.361 1.00 0.00 H new ATOM 0 HA ILE A 139 20.433 -5.014 -26.883 1.00 0.00 H new ATOM 0 HB ILE A 139 20.757 -3.868 -24.674 1.00 0.00 H new ATOM 0 HG12 ILE A 139 20.683 -1.608 -26.601 1.00 0.00 H new ATOM 0 HG13 ILE A 139 19.578 -2.922 -26.949 1.00 0.00 H new ATOM 0 HG21 ILE A 139 22.294 -1.945 -24.556 1.00 0.00 H new ATOM 0 HG22 ILE A 139 23.169 -3.469 -24.834 1.00 0.00 H new ATOM 0 HG23 ILE A 139 22.904 -2.337 -26.181 1.00 0.00 H new ATOM 0 HD11 ILE A 139 18.498 -1.208 -25.578 1.00 0.00 H new ATOM 0 HD12 ILE A 139 18.624 -2.739 -24.679 1.00 0.00 H new ATOM 0 HD13 ILE A 139 19.747 -1.405 -24.325 1.00 0.00 H new ATOM 222 N HIS A 140 21.282 -3.515 -28.772 1.00 0.00 N ATOM 223 CA HIS A 140 21.813 -2.944 -30.005 1.00 0.00 C ATOM 224 C HIS A 140 22.892 -1.909 -29.703 1.00 0.00 C ATOM 225 O HIS A 140 22.595 -0.790 -29.283 1.00 0.00 O ATOM 226 CB HIS A 140 20.689 -2.303 -30.820 1.00 0.00 C ATOM 227 CG HIS A 140 20.854 -2.467 -32.299 1.00 0.00 C ATOM 228 ND1 HIS A 140 20.785 -1.413 -33.186 1.00 0.00 N ATOM 229 CD2 HIS A 140 21.087 -3.571 -33.047 1.00 0.00 C ATOM 230 CE1 HIS A 140 20.967 -1.861 -34.415 1.00 0.00 C ATOM 231 NE2 HIS A 140 21.153 -3.168 -34.358 1.00 0.00 N ATOM 0 H HIS A 140 20.265 -3.485 -28.697 1.00 0.00 H new ATOM 0 HA HIS A 140 22.260 -3.750 -30.587 1.00 0.00 H new ATOM 0 HB2 HIS A 140 19.737 -2.740 -30.518 1.00 0.00 H new ATOM 0 HB3 HIS A 140 20.641 -1.240 -30.584 1.00 0.00 H new ATOM 0 HD2 HIS A 140 21.200 -4.581 -32.681 1.00 0.00 H new ATOM 0 HE1 HIS A 140 20.964 -1.261 -35.313 1.00 0.00 H new ATOM 0 HE2 HIS A 140 21.319 -3.779 -35.158 1.00 0.00 H new ATOM 239 N PHE A 141 24.147 -2.290 -29.919 1.00 0.00 N ATOM 240 CA PHE A 141 25.271 -1.395 -29.669 1.00 0.00 C ATOM 241 C PHE A 141 25.202 -0.168 -30.572 1.00 0.00 C ATOM 242 O PHE A 141 24.965 0.946 -30.107 1.00 0.00 O ATOM 243 CB PHE A 141 26.595 -2.131 -29.890 1.00 0.00 C ATOM 244 CG PHE A 141 26.644 -3.485 -29.241 1.00 0.00 C ATOM 245 CD1 PHE A 141 26.745 -3.605 -27.865 1.00 0.00 C ATOM 246 CD2 PHE A 141 26.590 -4.637 -30.008 1.00 0.00 C ATOM 247 CE1 PHE A 141 26.790 -4.849 -27.264 1.00 0.00 C ATOM 248 CE2 PHE A 141 26.634 -5.884 -29.413 1.00 0.00 C ATOM 249 CZ PHE A 141 26.735 -5.990 -28.040 1.00 0.00 C ATOM 0 H PHE A 141 24.411 -3.212 -30.266 1.00 0.00 H new ATOM 0 HA PHE A 141 25.215 -1.064 -28.632 1.00 0.00 H new ATOM 0 HB2 PHE A 141 26.764 -2.244 -30.961 1.00 0.00 H new ATOM 0 HB3 PHE A 141 27.410 -1.521 -29.501 1.00 0.00 H new ATOM 0 HD1 PHE A 141 26.789 -2.716 -27.254 1.00 0.00 H new ATOM 0 HD2 PHE A 141 26.513 -4.560 -31.082 1.00 0.00 H new ATOM 0 HE1 PHE A 141 26.868 -4.928 -26.190 1.00 0.00 H new ATOM 0 HE2 PHE A 141 26.589 -6.775 -30.022 1.00 0.00 H new ATOM 0 HZ PHE A 141 26.771 -6.964 -27.574 1.00 0.00 H new ATOM 259 N GLY A 142 25.411 -0.381 -31.868 1.00 0.00 N ATOM 260 CA GLY A 142 25.369 0.716 -32.817 1.00 0.00 C ATOM 261 C GLY A 142 26.743 1.085 -33.338 1.00 0.00 C ATOM 262 O GLY A 142 26.869 1.694 -34.401 1.00 0.00 O ATOM 0 H GLY A 142 25.609 -1.294 -32.277 1.00 0.00 H new ATOM 0 HA2 GLY A 142 24.727 0.443 -33.655 1.00 0.00 H new ATOM 0 HA3 GLY A 142 24.918 1.587 -32.341 1.00 0.00 H new ATOM 266 N SER A 143 27.777 0.717 -32.589 1.00 0.00 N ATOM 267 CA SER A 143 29.150 1.018 -32.979 1.00 0.00 C ATOM 268 C SER A 143 30.118 -0.006 -32.394 1.00 0.00 C ATOM 269 O SER A 143 30.001 -0.394 -31.232 1.00 0.00 O ATOM 270 CB SER A 143 29.537 2.424 -32.518 1.00 0.00 C ATOM 271 OG SER A 143 28.965 3.412 -33.357 1.00 0.00 O ATOM 0 H SER A 143 27.691 0.210 -31.708 1.00 0.00 H new ATOM 0 HA SER A 143 29.211 0.970 -34.066 1.00 0.00 H new ATOM 0 HB2 SER A 143 29.205 2.578 -31.491 1.00 0.00 H new ATOM 0 HB3 SER A 143 30.622 2.525 -32.520 1.00 0.00 H new ATOM 0 HG SER A 143 28.294 2.998 -33.939 1.00 0.00 H new ATOM 277 N ASP A 144 31.073 -0.440 -33.209 1.00 0.00 N ATOM 278 CA ASP A 144 32.063 -1.418 -32.774 1.00 0.00 C ATOM 279 C ASP A 144 33.043 -0.797 -31.783 1.00 0.00 C ATOM 280 O ASP A 144 33.502 -1.457 -30.851 1.00 0.00 O ATOM 281 CB ASP A 144 32.822 -1.977 -33.978 1.00 0.00 C ATOM 282 CG ASP A 144 31.946 -2.840 -34.865 1.00 0.00 C ATOM 283 OD1 ASP A 144 31.254 -2.279 -35.740 1.00 0.00 O ATOM 284 OD2 ASP A 144 31.953 -4.076 -34.685 1.00 0.00 O ATOM 0 H ASP A 144 31.182 -0.130 -34.175 1.00 0.00 H new ATOM 0 HA ASP A 144 31.537 -2.232 -32.275 1.00 0.00 H new ATOM 0 HB2 ASP A 144 33.226 -1.152 -34.564 1.00 0.00 H new ATOM 0 HB3 ASP A 144 33.670 -2.565 -33.628 1.00 0.00 H new ATOM 289 N TYR A 145 33.359 0.477 -31.992 1.00 0.00 N ATOM 290 CA TYR A 145 34.286 1.186 -31.119 1.00 0.00 C ATOM 291 C TYR A 145 33.753 1.248 -29.691 1.00 0.00 C ATOM 292 O TYR A 145 34.481 0.987 -28.734 1.00 0.00 O ATOM 293 CB TYR A 145 34.532 2.602 -31.645 1.00 0.00 C ATOM 294 CG TYR A 145 34.840 2.653 -33.124 1.00 0.00 C ATOM 295 CD1 TYR A 145 36.103 2.329 -33.603 1.00 0.00 C ATOM 296 CD2 TYR A 145 33.867 3.026 -34.043 1.00 0.00 C ATOM 297 CE1 TYR A 145 36.389 2.375 -34.954 1.00 0.00 C ATOM 298 CE2 TYR A 145 34.143 3.074 -35.396 1.00 0.00 C ATOM 299 CZ TYR A 145 35.406 2.748 -35.846 1.00 0.00 C ATOM 300 OH TYR A 145 35.686 2.794 -37.193 1.00 0.00 O ATOM 0 H TYR A 145 32.987 1.039 -32.758 1.00 0.00 H new ATOM 0 HA TYR A 145 35.228 0.638 -31.111 1.00 0.00 H new ATOM 0 HB2 TYR A 145 33.652 3.213 -31.444 1.00 0.00 H new ATOM 0 HB3 TYR A 145 35.361 3.046 -31.094 1.00 0.00 H new ATOM 0 HD1 TYR A 145 36.875 2.036 -32.907 1.00 0.00 H new ATOM 0 HD2 TYR A 145 32.878 3.283 -33.694 1.00 0.00 H new ATOM 0 HE1 TYR A 145 37.377 2.120 -35.309 1.00 0.00 H new ATOM 0 HE2 TYR A 145 33.375 3.365 -36.097 1.00 0.00 H new ATOM 0 HH TYR A 145 34.886 3.074 -37.684 1.00 0.00 H new ATOM 310 N GLU A 146 32.476 1.594 -29.558 1.00 0.00 N ATOM 311 CA GLU A 146 31.844 1.689 -28.247 1.00 0.00 C ATOM 312 C GLU A 146 31.637 0.304 -27.641 1.00 0.00 C ATOM 313 O GLU A 146 31.656 0.140 -26.421 1.00 0.00 O ATOM 314 CB GLU A 146 30.503 2.417 -28.355 1.00 0.00 C ATOM 315 CG GLU A 146 30.625 3.848 -28.851 1.00 0.00 C ATOM 316 CD GLU A 146 31.030 4.813 -27.754 1.00 0.00 C ATOM 317 OE1 GLU A 146 31.887 4.442 -26.925 1.00 0.00 O ATOM 318 OE2 GLU A 146 30.492 5.939 -27.725 1.00 0.00 O ATOM 0 H GLU A 146 31.860 1.813 -30.341 1.00 0.00 H new ATOM 0 HA GLU A 146 32.506 2.257 -27.593 1.00 0.00 H new ATOM 0 HB2 GLU A 146 29.851 1.862 -29.030 1.00 0.00 H new ATOM 0 HB3 GLU A 146 30.021 2.420 -27.377 1.00 0.00 H new ATOM 0 HG2 GLU A 146 31.360 3.888 -29.655 1.00 0.00 H new ATOM 0 HG3 GLU A 146 29.672 4.164 -29.274 1.00 0.00 H new ATOM 325 N ASP A 147 31.438 -0.688 -28.502 1.00 0.00 N ATOM 326 CA ASP A 147 31.227 -2.059 -28.052 1.00 0.00 C ATOM 327 C ASP A 147 32.394 -2.535 -27.193 1.00 0.00 C ATOM 328 O ASP A 147 32.216 -3.336 -26.276 1.00 0.00 O ATOM 329 CB ASP A 147 31.048 -2.990 -29.253 1.00 0.00 C ATOM 330 CG ASP A 147 30.872 -4.438 -28.841 1.00 0.00 C ATOM 331 OD1 ASP A 147 29.985 -4.714 -28.006 1.00 0.00 O ATOM 332 OD2 ASP A 147 31.619 -5.296 -29.355 1.00 0.00 O ATOM 0 H ASP A 147 31.418 -0.569 -29.515 1.00 0.00 H new ATOM 0 HA ASP A 147 30.321 -2.081 -27.446 1.00 0.00 H new ATOM 0 HB2 ASP A 147 30.180 -2.671 -29.830 1.00 0.00 H new ATOM 0 HB3 ASP A 147 31.915 -2.904 -29.908 1.00 0.00 H new ATOM 337 N ARG A 148 33.588 -2.036 -27.497 1.00 0.00 N ATOM 338 CA ARG A 148 34.784 -2.412 -26.754 1.00 0.00 C ATOM 339 C ARG A 148 34.630 -2.083 -25.272 1.00 0.00 C ATOM 340 O ARG A 148 34.861 -2.932 -24.410 1.00 0.00 O ATOM 341 CB ARG A 148 36.010 -1.694 -27.322 1.00 0.00 C ATOM 342 CG ARG A 148 36.369 -2.126 -28.734 1.00 0.00 C ATOM 343 CD ARG A 148 37.172 -1.056 -29.457 1.00 0.00 C ATOM 344 NE ARG A 148 38.501 -0.884 -28.877 1.00 0.00 N ATOM 345 CZ ARG A 148 39.431 -0.088 -29.394 1.00 0.00 C ATOM 346 NH1 ARG A 148 39.177 0.605 -30.495 1.00 0.00 N ATOM 347 NH2 ARG A 148 40.617 0.015 -28.809 1.00 0.00 N ATOM 0 H ARG A 148 33.752 -1.371 -28.252 1.00 0.00 H new ATOM 0 HA ARG A 148 34.921 -3.488 -26.857 1.00 0.00 H new ATOM 0 HB2 ARG A 148 35.827 -0.620 -27.315 1.00 0.00 H new ATOM 0 HB3 ARG A 148 36.863 -1.876 -26.668 1.00 0.00 H new ATOM 0 HG2 ARG A 148 36.944 -3.051 -28.697 1.00 0.00 H new ATOM 0 HG3 ARG A 148 35.458 -2.339 -29.293 1.00 0.00 H new ATOM 0 HD2 ARG A 148 37.268 -1.324 -30.509 1.00 0.00 H new ATOM 0 HD3 ARG A 148 36.633 -0.109 -29.416 1.00 0.00 H new ATOM 0 HE ARG A 148 38.728 -1.403 -28.029 1.00 0.00 H new ATOM 0 HH11 ARG A 148 38.266 0.528 -30.947 1.00 0.00 H new ATOM 0 HH12 ARG A 148 39.893 1.215 -30.890 1.00 0.00 H new ATOM 0 HH21 ARG A 148 40.816 -0.517 -27.962 1.00 0.00 H new ATOM 0 HH22 ARG A 148 41.330 0.626 -29.206 1.00 0.00 H new ATOM 361 N TYR A 149 34.240 -0.847 -24.984 1.00 0.00 N ATOM 362 CA TYR A 149 34.058 -0.405 -23.606 1.00 0.00 C ATOM 363 C TYR A 149 32.775 -0.980 -23.014 1.00 0.00 C ATOM 364 O TYR A 149 32.750 -1.417 -21.864 1.00 0.00 O ATOM 365 CB TYR A 149 34.023 1.123 -23.539 1.00 0.00 C ATOM 366 CG TYR A 149 34.610 1.687 -22.265 1.00 0.00 C ATOM 367 CD1 TYR A 149 35.945 1.479 -21.940 1.00 0.00 C ATOM 368 CD2 TYR A 149 33.829 2.427 -21.385 1.00 0.00 C ATOM 369 CE1 TYR A 149 36.485 1.991 -20.776 1.00 0.00 C ATOM 370 CE2 TYR A 149 34.361 2.944 -20.220 1.00 0.00 C ATOM 371 CZ TYR A 149 35.689 2.724 -19.920 1.00 0.00 C ATOM 372 OH TYR A 149 36.223 3.236 -18.760 1.00 0.00 O ATOM 0 H TYR A 149 34.044 -0.133 -25.686 1.00 0.00 H new ATOM 0 HA TYR A 149 34.902 -0.769 -23.020 1.00 0.00 H new ATOM 0 HB2 TYR A 149 34.569 1.528 -24.391 1.00 0.00 H new ATOM 0 HB3 TYR A 149 32.990 1.459 -23.633 1.00 0.00 H new ATOM 0 HD1 TYR A 149 36.571 0.907 -22.609 1.00 0.00 H new ATOM 0 HD2 TYR A 149 32.788 2.601 -21.616 1.00 0.00 H new ATOM 0 HE1 TYR A 149 37.524 1.818 -20.538 1.00 0.00 H new ATOM 0 HE2 TYR A 149 33.740 3.518 -19.548 1.00 0.00 H new ATOM 0 HH TYR A 149 35.531 3.727 -18.270 1.00 0.00 H new ATOM 382 N TYR A 150 31.711 -0.976 -23.810 1.00 0.00 N ATOM 383 CA TYR A 150 30.423 -1.496 -23.366 1.00 0.00 C ATOM 384 C TYR A 150 30.535 -2.965 -22.971 1.00 0.00 C ATOM 385 O TYR A 150 29.756 -3.461 -22.157 1.00 0.00 O ATOM 386 CB TYR A 150 29.375 -1.331 -24.468 1.00 0.00 C ATOM 387 CG TYR A 150 27.991 -1.783 -24.061 1.00 0.00 C ATOM 388 CD1 TYR A 150 27.236 -1.046 -23.157 1.00 0.00 C ATOM 389 CD2 TYR A 150 27.438 -2.947 -24.581 1.00 0.00 C ATOM 390 CE1 TYR A 150 25.971 -1.456 -22.782 1.00 0.00 C ATOM 391 CE2 TYR A 150 26.174 -3.364 -24.213 1.00 0.00 C ATOM 392 CZ TYR A 150 25.445 -2.616 -23.312 1.00 0.00 C ATOM 393 OH TYR A 150 24.185 -3.027 -22.942 1.00 0.00 O ATOM 0 H TYR A 150 31.715 -0.619 -24.765 1.00 0.00 H new ATOM 0 HA TYR A 150 30.113 -0.926 -22.490 1.00 0.00 H new ATOM 0 HB2 TYR A 150 29.333 -0.283 -24.764 1.00 0.00 H new ATOM 0 HB3 TYR A 150 29.690 -1.897 -25.345 1.00 0.00 H new ATOM 0 HD1 TYR A 150 27.645 -0.137 -22.740 1.00 0.00 H new ATOM 0 HD2 TYR A 150 28.007 -3.536 -25.285 1.00 0.00 H new ATOM 0 HE1 TYR A 150 25.397 -0.872 -22.078 1.00 0.00 H new ATOM 0 HE2 TYR A 150 25.759 -4.270 -24.628 1.00 0.00 H new ATOM 0 HH TYR A 150 24.179 -4.000 -22.828 1.00 0.00 H new ATOM 403 N ARG A 151 31.510 -3.655 -23.553 1.00 0.00 N ATOM 404 CA ARG A 151 31.725 -5.067 -23.263 1.00 0.00 C ATOM 405 C ARG A 151 31.848 -5.301 -21.760 1.00 0.00 C ATOM 406 O ARG A 151 31.482 -6.362 -21.256 1.00 0.00 O ATOM 407 CB ARG A 151 32.984 -5.569 -23.972 1.00 0.00 C ATOM 408 CG ARG A 151 33.213 -7.064 -23.821 1.00 0.00 C ATOM 409 CD ARG A 151 33.342 -7.747 -25.174 1.00 0.00 C ATOM 410 NE ARG A 151 34.628 -7.469 -25.807 1.00 0.00 N ATOM 411 CZ ARG A 151 35.122 -8.183 -26.813 1.00 0.00 C ATOM 412 NH1 ARG A 151 34.440 -9.212 -27.297 1.00 0.00 N ATOM 413 NH2 ARG A 151 36.300 -7.867 -27.336 1.00 0.00 N ATOM 0 H ARG A 151 32.164 -3.259 -24.228 1.00 0.00 H new ATOM 0 HA ARG A 151 30.863 -5.623 -23.631 1.00 0.00 H new ATOM 0 HB2 ARG A 151 32.915 -5.326 -25.032 1.00 0.00 H new ATOM 0 HB3 ARG A 151 33.849 -5.036 -23.578 1.00 0.00 H new ATOM 0 HG2 ARG A 151 34.117 -7.238 -23.237 1.00 0.00 H new ATOM 0 HG3 ARG A 151 32.385 -7.506 -23.266 1.00 0.00 H new ATOM 0 HD2 ARG A 151 33.225 -8.823 -25.049 1.00 0.00 H new ATOM 0 HD3 ARG A 151 32.536 -7.412 -25.827 1.00 0.00 H new ATOM 0 HE ARG A 151 35.177 -6.684 -25.458 1.00 0.00 H new ATOM 0 HH11 ARG A 151 33.534 -9.457 -26.897 1.00 0.00 H new ATOM 0 HH12 ARG A 151 34.821 -9.759 -28.069 1.00 0.00 H new ATOM 0 HH21 ARG A 151 36.827 -7.076 -26.966 1.00 0.00 H new ATOM 0 HH22 ARG A 151 36.679 -8.415 -28.108 1.00 0.00 H new ATOM 427 N GLU A 152 32.365 -4.303 -21.051 1.00 0.00 N ATOM 428 CA GLU A 152 32.537 -4.401 -19.606 1.00 0.00 C ATOM 429 C GLU A 152 31.299 -3.892 -18.875 1.00 0.00 C ATOM 430 O GLU A 152 31.046 -4.260 -17.729 1.00 0.00 O ATOM 431 CB GLU A 152 33.768 -3.608 -19.161 1.00 0.00 C ATOM 432 CG GLU A 152 35.062 -4.082 -19.801 1.00 0.00 C ATOM 433 CD GLU A 152 35.988 -4.761 -18.811 1.00 0.00 C ATOM 434 OE1 GLU A 152 35.650 -5.869 -18.345 1.00 0.00 O ATOM 435 OE2 GLU A 152 37.052 -4.183 -18.503 1.00 0.00 O ATOM 0 H GLU A 152 32.672 -3.417 -21.453 1.00 0.00 H new ATOM 0 HA GLU A 152 32.680 -5.452 -19.354 1.00 0.00 H new ATOM 0 HB2 GLU A 152 33.618 -2.555 -19.401 1.00 0.00 H new ATOM 0 HB3 GLU A 152 33.862 -3.677 -18.077 1.00 0.00 H new ATOM 0 HG2 GLU A 152 34.830 -4.775 -20.610 1.00 0.00 H new ATOM 0 HG3 GLU A 152 35.575 -3.230 -20.248 1.00 0.00 H new ATOM 442 N ASN A 153 30.530 -3.041 -19.547 1.00 0.00 N ATOM 443 CA ASN A 153 29.318 -2.479 -18.962 1.00 0.00 C ATOM 444 C ASN A 153 28.167 -3.479 -19.029 1.00 0.00 C ATOM 445 O ASN A 153 27.304 -3.507 -18.152 1.00 0.00 O ATOM 446 CB ASN A 153 28.929 -1.188 -19.684 1.00 0.00 C ATOM 447 CG ASN A 153 29.481 0.047 -18.999 1.00 0.00 C ATOM 448 OD1 ASN A 153 28.776 0.722 -18.249 1.00 0.00 O ATOM 449 ND2 ASN A 153 30.749 0.348 -19.254 1.00 0.00 N ATOM 0 H ASN A 153 30.725 -2.726 -20.497 1.00 0.00 H new ATOM 0 HA ASN A 153 29.521 -2.255 -17.915 1.00 0.00 H new ATOM 0 HB2 ASN A 153 29.294 -1.225 -20.710 1.00 0.00 H new ATOM 0 HB3 ASN A 153 27.843 -1.117 -19.735 1.00 0.00 H new ATOM 0 HD21 ASN A 153 31.176 1.167 -18.821 1.00 0.00 H new ATOM 0 HD22 ASN A 153 31.296 -0.240 -19.882 1.00 0.00 H new ATOM 456 N MET A 154 28.163 -4.298 -20.076 1.00 0.00 N ATOM 457 CA MET A 154 27.120 -5.301 -20.256 1.00 0.00 C ATOM 458 C MET A 154 27.016 -6.204 -19.031 1.00 0.00 C ATOM 459 O MET A 154 25.935 -6.689 -18.695 1.00 0.00 O ATOM 460 CB MET A 154 27.402 -6.143 -21.502 1.00 0.00 C ATOM 461 CG MET A 154 28.502 -7.173 -21.304 1.00 0.00 C ATOM 462 SD MET A 154 29.215 -7.736 -22.861 1.00 0.00 S ATOM 463 CE MET A 154 27.735 -8.002 -23.835 1.00 0.00 C ATOM 0 H MET A 154 28.869 -4.287 -20.812 1.00 0.00 H new ATOM 0 HA MET A 154 26.170 -4.782 -20.384 1.00 0.00 H new ATOM 0 HB2 MET A 154 26.486 -6.654 -21.800 1.00 0.00 H new ATOM 0 HB3 MET A 154 27.679 -5.481 -22.323 1.00 0.00 H new ATOM 0 HG2 MET A 154 29.288 -6.744 -20.683 1.00 0.00 H new ATOM 0 HG3 MET A 154 28.099 -8.029 -20.763 1.00 0.00 H new ATOM 0 HE1 MET A 154 27.977 -8.610 -24.707 1.00 0.00 H new ATOM 0 HE2 MET A 154 26.989 -8.517 -23.230 1.00 0.00 H new ATOM 0 HE3 MET A 154 27.337 -7.041 -24.162 1.00 0.00 H new ATOM 473 N HIS A 155 28.146 -6.427 -18.368 1.00 0.00 N ATOM 474 CA HIS A 155 28.181 -7.272 -17.179 1.00 0.00 C ATOM 475 C HIS A 155 27.519 -6.572 -15.996 1.00 0.00 C ATOM 476 O HIS A 155 27.034 -7.223 -15.070 1.00 0.00 O ATOM 477 CB HIS A 155 29.624 -7.636 -16.830 1.00 0.00 C ATOM 478 CG HIS A 155 30.145 -8.816 -17.591 1.00 0.00 C ATOM 479 ND1 HIS A 155 30.033 -10.114 -17.138 1.00 0.00 N ATOM 480 CD2 HIS A 155 30.783 -8.889 -18.783 1.00 0.00 C ATOM 481 CE1 HIS A 155 30.581 -10.934 -18.017 1.00 0.00 C ATOM 482 NE2 HIS A 155 31.043 -10.216 -19.025 1.00 0.00 N ATOM 0 H HIS A 155 29.049 -6.035 -18.633 1.00 0.00 H new ATOM 0 HA HIS A 155 27.626 -8.185 -17.395 1.00 0.00 H new ATOM 0 HB2 HIS A 155 30.264 -6.776 -17.026 1.00 0.00 H new ATOM 0 HB3 HIS A 155 29.689 -7.845 -15.762 1.00 0.00 H new ATOM 0 HD2 HIS A 155 31.040 -8.059 -19.424 1.00 0.00 H new ATOM 0 HE1 HIS A 155 30.641 -12.009 -17.927 1.00 0.00 H new ATOM 0 HE2 HIS A 155 31.516 -10.587 -19.849 1.00 0.00 H new ATOM 490 N ARG A 156 27.505 -5.244 -16.032 1.00 0.00 N ATOM 491 CA ARG A 156 26.905 -4.457 -14.961 1.00 0.00 C ATOM 492 C ARG A 156 25.631 -3.769 -15.441 1.00 0.00 C ATOM 493 O ARG A 156 25.110 -2.872 -14.777 1.00 0.00 O ATOM 494 CB ARG A 156 27.899 -3.413 -14.449 1.00 0.00 C ATOM 495 CG ARG A 156 29.159 -4.015 -13.848 1.00 0.00 C ATOM 496 CD ARG A 156 30.161 -2.938 -13.460 1.00 0.00 C ATOM 497 NE ARG A 156 31.454 -3.503 -13.086 1.00 0.00 N ATOM 498 CZ ARG A 156 32.520 -2.767 -12.792 1.00 0.00 C ATOM 499 NH1 ARG A 156 32.446 -1.444 -12.826 1.00 0.00 N ATOM 500 NH2 ARG A 156 33.663 -3.354 -12.460 1.00 0.00 N ATOM 0 H ARG A 156 27.902 -4.690 -16.791 1.00 0.00 H new ATOM 0 HA ARG A 156 26.647 -5.134 -14.147 1.00 0.00 H new ATOM 0 HB2 ARG A 156 28.178 -2.755 -15.272 1.00 0.00 H new ATOM 0 HB3 ARG A 156 27.408 -2.794 -13.698 1.00 0.00 H new ATOM 0 HG2 ARG A 156 28.898 -4.605 -12.969 1.00 0.00 H new ATOM 0 HG3 ARG A 156 29.616 -4.697 -14.565 1.00 0.00 H new ATOM 0 HD2 ARG A 156 30.294 -2.249 -14.294 1.00 0.00 H new ATOM 0 HD3 ARG A 156 29.765 -2.357 -12.627 1.00 0.00 H new ATOM 0 HE ARG A 156 31.544 -4.518 -13.048 1.00 0.00 H new ATOM 0 HH11 ARG A 156 31.569 -0.989 -13.078 1.00 0.00 H new ATOM 0 HH12 ARG A 156 33.266 -0.881 -12.600 1.00 0.00 H new ATOM 0 HH21 ARG A 156 33.724 -4.372 -12.430 1.00 0.00 H new ATOM 0 HH22 ARG A 156 34.481 -2.787 -12.235 1.00 0.00 H new ATOM 514 N TYR A 157 25.134 -4.195 -16.597 1.00 0.00 N ATOM 515 CA TYR A 157 23.923 -3.618 -17.167 1.00 0.00 C ATOM 516 C TYR A 157 22.790 -3.608 -16.145 1.00 0.00 C ATOM 517 O TYR A 157 22.750 -4.416 -15.217 1.00 0.00 O ATOM 518 CB TYR A 157 23.496 -4.401 -18.410 1.00 0.00 C ATOM 519 CG TYR A 157 22.782 -5.696 -18.094 1.00 0.00 C ATOM 520 CD1 TYR A 157 23.389 -6.674 -17.315 1.00 0.00 C ATOM 521 CD2 TYR A 157 21.503 -5.943 -18.575 1.00 0.00 C ATOM 522 CE1 TYR A 157 22.742 -7.859 -17.024 1.00 0.00 C ATOM 523 CE2 TYR A 157 20.847 -7.124 -18.288 1.00 0.00 C ATOM 524 CZ TYR A 157 21.471 -8.079 -17.513 1.00 0.00 C ATOM 525 OH TYR A 157 20.822 -9.258 -17.226 1.00 0.00 O ATOM 0 H TYR A 157 25.551 -4.938 -17.157 1.00 0.00 H new ATOM 0 HA TYR A 157 24.141 -2.588 -17.451 1.00 0.00 H new ATOM 0 HB2 TYR A 157 22.843 -3.774 -19.017 1.00 0.00 H new ATOM 0 HB3 TYR A 157 24.378 -4.620 -19.012 1.00 0.00 H new ATOM 0 HD1 TYR A 157 24.384 -6.504 -16.931 1.00 0.00 H new ATOM 0 HD2 TYR A 157 21.013 -5.198 -19.184 1.00 0.00 H new ATOM 0 HE1 TYR A 157 23.228 -8.609 -16.417 1.00 0.00 H new ATOM 0 HE2 TYR A 157 19.851 -7.299 -18.668 1.00 0.00 H new ATOM 0 HH TYR A 157 19.936 -9.254 -17.645 1.00 0.00 H new ATOM 535 N PRO A 158 21.846 -2.671 -16.318 1.00 0.00 N ATOM 536 CA PRO A 158 20.695 -2.533 -15.421 1.00 0.00 C ATOM 537 C PRO A 158 19.711 -3.689 -15.559 1.00 0.00 C ATOM 538 O PRO A 158 19.162 -3.924 -16.635 1.00 0.00 O ATOM 539 CB PRO A 158 20.047 -1.222 -15.876 1.00 0.00 C ATOM 540 CG PRO A 158 20.457 -1.071 -17.300 1.00 0.00 C ATOM 541 CD PRO A 158 21.830 -1.675 -17.402 1.00 0.00 C ATOM 0 HA PRO A 158 20.992 -2.537 -14.372 1.00 0.00 H new ATOM 0 HB2 PRO A 158 18.962 -1.262 -15.779 1.00 0.00 H new ATOM 0 HB3 PRO A 158 20.390 -0.381 -15.274 1.00 0.00 H new ATOM 0 HG2 PRO A 158 19.757 -1.579 -17.964 1.00 0.00 H new ATOM 0 HG3 PRO A 158 20.470 -0.021 -17.593 1.00 0.00 H new ATOM 0 HD2 PRO A 158 21.994 -2.138 -18.375 1.00 0.00 H new ATOM 0 HD3 PRO A 158 22.610 -0.925 -17.270 1.00 0.00 H new ATOM 549 N ASN A 159 19.492 -4.408 -14.463 1.00 0.00 N ATOM 550 CA ASN A 159 18.573 -5.541 -14.463 1.00 0.00 C ATOM 551 C ASN A 159 17.376 -5.270 -13.557 1.00 0.00 C ATOM 552 O ASN A 159 16.897 -6.165 -12.861 1.00 0.00 O ATOM 553 CB ASN A 159 19.296 -6.810 -14.006 1.00 0.00 C ATOM 554 CG ASN A 159 18.935 -8.017 -14.850 1.00 0.00 C ATOM 555 OD1 ASN A 159 18.013 -7.965 -15.665 1.00 0.00 O ATOM 556 ND2 ASN A 159 19.661 -9.112 -14.658 1.00 0.00 N ATOM 0 H ASN A 159 19.938 -4.227 -13.564 1.00 0.00 H new ATOM 0 HA ASN A 159 18.211 -5.684 -15.481 1.00 0.00 H new ATOM 0 HB2 ASN A 159 20.373 -6.648 -14.051 1.00 0.00 H new ATOM 0 HB3 ASN A 159 19.047 -7.011 -12.964 1.00 0.00 H new ATOM 0 HD21 ASN A 159 19.464 -9.955 -15.197 1.00 0.00 H new ATOM 0 HD22 ASN A 159 20.416 -9.110 -13.972 1.00 0.00 H new ATOM 563 N GLN A 160 16.898 -4.030 -13.572 1.00 0.00 N ATOM 564 CA GLN A 160 15.756 -3.642 -12.752 1.00 0.00 C ATOM 565 C GLN A 160 15.342 -2.203 -13.042 1.00 0.00 C ATOM 566 O GLN A 160 16.185 -1.344 -13.302 1.00 0.00 O ATOM 567 CB GLN A 160 16.091 -3.800 -11.268 1.00 0.00 C ATOM 568 CG GLN A 160 14.872 -4.048 -10.393 1.00 0.00 C ATOM 569 CD GLN A 160 14.054 -5.237 -10.856 1.00 0.00 C ATOM 570 OE1 GLN A 160 12.827 -5.171 -10.928 1.00 0.00 O ATOM 571 NE2 GLN A 160 14.731 -6.335 -11.171 1.00 0.00 N ATOM 0 H GLN A 160 17.283 -3.277 -14.142 1.00 0.00 H new ATOM 0 HA GLN A 160 14.922 -4.298 -13.001 1.00 0.00 H new ATOM 0 HB2 GLN A 160 16.789 -4.628 -11.148 1.00 0.00 H new ATOM 0 HB3 GLN A 160 16.600 -2.901 -10.921 1.00 0.00 H new ATOM 0 HG2 GLN A 160 15.195 -4.212 -9.365 1.00 0.00 H new ATOM 0 HG3 GLN A 160 14.243 -3.158 -10.392 1.00 0.00 H new ATOM 0 HE21 GLN A 160 15.748 -6.346 -11.097 1.00 0.00 H new ATOM 0 HE22 GLN A 160 14.234 -7.168 -11.487 1.00 0.00 H new ATOM 580 N VAL A 161 14.039 -1.947 -12.996 1.00 0.00 N ATOM 581 CA VAL A 161 13.513 -0.611 -13.253 1.00 0.00 C ATOM 582 C VAL A 161 12.535 -0.187 -12.163 1.00 0.00 C ATOM 583 O VAL A 161 11.808 -1.013 -11.610 1.00 0.00 O ATOM 584 CB VAL A 161 12.804 -0.540 -14.619 1.00 0.00 C ATOM 585 CG1 VAL A 161 13.797 -0.775 -15.748 1.00 0.00 C ATOM 586 CG2 VAL A 161 11.666 -1.547 -14.681 1.00 0.00 C ATOM 0 H VAL A 161 13.328 -2.647 -12.783 1.00 0.00 H new ATOM 0 HA VAL A 161 14.365 0.069 -13.258 1.00 0.00 H new ATOM 0 HB VAL A 161 12.382 0.458 -14.739 1.00 0.00 H new ATOM 0 HG11 VAL A 161 13.279 -0.721 -16.705 1.00 0.00 H new ATOM 0 HG12 VAL A 161 14.575 -0.012 -15.713 1.00 0.00 H new ATOM 0 HG13 VAL A 161 14.250 -1.760 -15.635 1.00 0.00 H new ATOM 0 HG21 VAL A 161 11.176 -1.483 -15.653 1.00 0.00 H new ATOM 0 HG22 VAL A 161 12.062 -2.553 -14.540 1.00 0.00 H new ATOM 0 HG23 VAL A 161 10.943 -1.328 -13.895 1.00 0.00 H new ATOM 596 N TYR A 162 12.522 1.106 -11.859 1.00 0.00 N ATOM 597 CA TYR A 162 11.634 1.641 -10.833 1.00 0.00 C ATOM 598 C TYR A 162 10.717 2.714 -11.411 1.00 0.00 C ATOM 599 O TYR A 162 11.172 3.640 -12.082 1.00 0.00 O ATOM 600 CB TYR A 162 12.449 2.221 -9.676 1.00 0.00 C ATOM 601 CG TYR A 162 13.015 1.171 -8.747 1.00 0.00 C ATOM 602 CD1 TYR A 162 12.210 0.544 -7.803 1.00 0.00 C ATOM 603 CD2 TYR A 162 14.354 0.805 -8.812 1.00 0.00 C ATOM 604 CE1 TYR A 162 12.723 -0.416 -6.952 1.00 0.00 C ATOM 605 CE2 TYR A 162 14.875 -0.154 -7.966 1.00 0.00 C ATOM 606 CZ TYR A 162 14.055 -0.762 -7.038 1.00 0.00 C ATOM 607 OH TYR A 162 14.570 -1.718 -6.192 1.00 0.00 O ATOM 0 H TYR A 162 13.116 1.803 -12.308 1.00 0.00 H new ATOM 0 HA TYR A 162 11.017 0.823 -10.461 1.00 0.00 H new ATOM 0 HB2 TYR A 162 13.268 2.815 -10.082 1.00 0.00 H new ATOM 0 HB3 TYR A 162 11.818 2.899 -9.102 1.00 0.00 H new ATOM 0 HD1 TYR A 162 11.166 0.812 -7.734 1.00 0.00 H new ATOM 0 HD2 TYR A 162 14.999 1.279 -9.537 1.00 0.00 H new ATOM 0 HE1 TYR A 162 12.084 -0.893 -6.223 1.00 0.00 H new ATOM 0 HE2 TYR A 162 15.918 -0.426 -8.030 1.00 0.00 H new ATOM 0 HH TYR A 162 15.523 -1.845 -6.384 1.00 0.00 H new ATOM 797 N ASN A 174 7.416 10.399 -24.485 1.00 0.00 N ATOM 798 CA ASN A 174 8.248 11.200 -23.595 1.00 0.00 C ATOM 799 C ASN A 174 8.399 10.524 -22.236 1.00 0.00 C ATOM 800 O ASN A 174 9.425 10.667 -21.571 1.00 0.00 O ATOM 801 CB ASN A 174 7.645 12.596 -23.419 1.00 0.00 C ATOM 802 CG ASN A 174 8.703 13.681 -23.372 1.00 0.00 C ATOM 803 OD1 ASN A 174 9.050 14.271 -24.395 1.00 0.00 O ATOM 804 ND2 ASN A 174 9.222 13.949 -22.179 1.00 0.00 N ATOM 0 HA ASN A 174 9.236 11.292 -24.046 1.00 0.00 H new ATOM 0 HB2 ASN A 174 6.958 12.798 -24.240 1.00 0.00 H new ATOM 0 HB3 ASN A 174 7.060 12.623 -22.500 1.00 0.00 H new ATOM 0 HD21 ASN A 174 9.938 14.669 -22.085 1.00 0.00 H new ATOM 0 HD22 ASN A 174 8.904 13.435 -21.357 1.00 0.00 H new ATOM 811 N PHE A 175 7.371 9.787 -21.831 1.00 0.00 N ATOM 812 CA PHE A 175 7.389 9.088 -20.551 1.00 0.00 C ATOM 813 C PHE A 175 8.476 8.018 -20.530 1.00 0.00 C ATOM 814 O PHE A 175 9.082 7.752 -19.492 1.00 0.00 O ATOM 815 CB PHE A 175 6.025 8.451 -20.274 1.00 0.00 C ATOM 816 CG PHE A 175 5.785 8.156 -18.821 1.00 0.00 C ATOM 817 CD1 PHE A 175 5.712 9.184 -17.895 1.00 0.00 C ATOM 818 CD2 PHE A 175 5.634 6.851 -18.382 1.00 0.00 C ATOM 819 CE1 PHE A 175 5.491 8.915 -16.557 1.00 0.00 C ATOM 820 CE2 PHE A 175 5.412 6.577 -17.045 1.00 0.00 C ATOM 821 CZ PHE A 175 5.342 7.610 -16.132 1.00 0.00 C ATOM 0 H PHE A 175 6.515 9.658 -22.370 1.00 0.00 H new ATOM 0 HA PHE A 175 7.607 9.817 -19.771 1.00 0.00 H new ATOM 0 HB2 PHE A 175 5.242 9.117 -20.635 1.00 0.00 H new ATOM 0 HB3 PHE A 175 5.943 7.525 -20.843 1.00 0.00 H new ATOM 0 HD1 PHE A 175 5.829 10.207 -18.222 1.00 0.00 H new ATOM 0 HD2 PHE A 175 5.690 6.039 -19.092 1.00 0.00 H new ATOM 0 HE1 PHE A 175 5.435 9.725 -15.845 1.00 0.00 H new ATOM 0 HE2 PHE A 175 5.293 5.555 -16.715 1.00 0.00 H new ATOM 0 HZ PHE A 175 5.171 7.398 -15.087 1.00 0.00 H new ATOM 831 N VAL A 176 8.718 7.407 -21.686 1.00 0.00 N ATOM 832 CA VAL A 176 9.732 6.366 -21.802 1.00 0.00 C ATOM 833 C VAL A 176 11.111 6.898 -21.429 1.00 0.00 C ATOM 834 O VAL A 176 11.875 6.236 -20.725 1.00 0.00 O ATOM 835 CB VAL A 176 9.785 5.790 -23.230 1.00 0.00 C ATOM 836 CG1 VAL A 176 10.771 4.635 -23.304 1.00 0.00 C ATOM 837 CG2 VAL A 176 8.399 5.348 -23.677 1.00 0.00 C ATOM 0 H VAL A 176 8.226 7.615 -22.555 1.00 0.00 H new ATOM 0 HA VAL A 176 9.452 5.573 -21.109 1.00 0.00 H new ATOM 0 HB VAL A 176 10.128 6.573 -23.906 1.00 0.00 H new ATOM 0 HG11 VAL A 176 10.795 4.241 -24.320 1.00 0.00 H new ATOM 0 HG12 VAL A 176 11.765 4.987 -23.028 1.00 0.00 H new ATOM 0 HG13 VAL A 176 10.461 3.848 -22.617 1.00 0.00 H new ATOM 0 HG21 VAL A 176 8.454 4.944 -24.688 1.00 0.00 H new ATOM 0 HG22 VAL A 176 8.026 4.580 -22.999 1.00 0.00 H new ATOM 0 HG23 VAL A 176 7.723 6.203 -23.665 1.00 0.00 H new ATOM 847 N HIS A 177 11.425 8.098 -21.906 1.00 0.00 N ATOM 848 CA HIS A 177 12.713 8.721 -21.622 1.00 0.00 C ATOM 849 C HIS A 177 12.810 9.123 -20.153 1.00 0.00 C ATOM 850 O HIS A 177 13.871 9.017 -19.540 1.00 0.00 O ATOM 851 CB HIS A 177 12.918 9.947 -22.513 1.00 0.00 C ATOM 852 CG HIS A 177 13.140 9.609 -23.955 1.00 0.00 C ATOM 853 ND1 HIS A 177 14.371 9.253 -24.463 1.00 0.00 N ATOM 854 CD2 HIS A 177 12.279 9.574 -24.999 1.00 0.00 C ATOM 855 CE1 HIS A 177 14.258 9.014 -25.758 1.00 0.00 C ATOM 856 NE2 HIS A 177 12.998 9.201 -26.107 1.00 0.00 N ATOM 0 H HIS A 177 10.805 8.659 -22.491 1.00 0.00 H new ATOM 0 HA HIS A 177 13.496 7.992 -21.834 1.00 0.00 H new ATOM 0 HB2 HIS A 177 12.046 10.596 -22.430 1.00 0.00 H new ATOM 0 HB3 HIS A 177 13.773 10.514 -22.145 1.00 0.00 H new ATOM 0 HD2 HIS A 177 11.223 9.798 -24.966 1.00 0.00 H new ATOM 0 HE1 HIS A 177 15.059 8.717 -26.418 1.00 0.00 H new ATOM 0 HE2 HIS A 177 12.620 9.087 -27.048 1.00 0.00 H new ATOM 864 N ASN A 178 11.695 9.584 -19.596 1.00 0.00 N ATOM 865 CA ASN A 178 11.656 10.003 -18.200 1.00 0.00 C ATOM 866 C ASN A 178 11.827 8.807 -17.268 1.00 0.00 C ATOM 867 O ASN A 178 12.532 8.886 -16.261 1.00 0.00 O ATOM 868 CB ASN A 178 10.336 10.715 -17.896 1.00 0.00 C ATOM 869 CG ASN A 178 10.498 12.220 -17.807 1.00 0.00 C ATOM 870 OD1 ASN A 178 9.891 12.967 -18.574 1.00 0.00 O ATOM 871 ND2 ASN A 178 11.319 12.671 -16.866 1.00 0.00 N ATOM 0 H ASN A 178 10.807 9.677 -20.090 1.00 0.00 H new ATOM 0 HA ASN A 178 12.482 10.694 -18.031 1.00 0.00 H new ATOM 0 HB2 ASN A 178 9.610 10.476 -18.673 1.00 0.00 H new ATOM 0 HB3 ASN A 178 9.932 10.340 -16.956 1.00 0.00 H new ATOM 0 HD21 ASN A 178 11.467 13.674 -16.757 1.00 0.00 H new ATOM 0 HD22 ASN A 178 11.801 12.014 -16.252 1.00 0.00 H new ATOM 878 N CYS A 179 11.179 7.699 -17.611 1.00 0.00 N ATOM 879 CA CYS A 179 11.259 6.485 -16.807 1.00 0.00 C ATOM 880 C CYS A 179 12.697 5.979 -16.728 1.00 0.00 C ATOM 881 O CYS A 179 13.086 5.333 -15.755 1.00 0.00 O ATOM 882 CB CYS A 179 10.356 5.399 -17.394 1.00 0.00 C ATOM 883 SG CYS A 179 10.128 3.955 -16.308 1.00 0.00 S ATOM 0 H CYS A 179 10.592 7.617 -18.441 1.00 0.00 H new ATOM 0 HA CYS A 179 10.920 6.724 -15.799 1.00 0.00 H new ATOM 0 HB2 CYS A 179 9.380 5.832 -17.614 1.00 0.00 H new ATOM 0 HB3 CYS A 179 10.777 5.064 -18.342 1.00 0.00 H new ATOM 0 HG CYS A 179 9.348 3.093 -16.890 1.00 0.00 H new ATOM 888 N VAL A 180 13.481 6.279 -17.758 1.00 0.00 N ATOM 889 CA VAL A 180 14.876 5.856 -17.805 1.00 0.00 C ATOM 890 C VAL A 180 15.721 6.635 -16.804 1.00 0.00 C ATOM 891 O VAL A 180 16.626 6.085 -16.178 1.00 0.00 O ATOM 892 CB VAL A 180 15.471 6.038 -19.214 1.00 0.00 C ATOM 893 CG1 VAL A 180 16.932 5.616 -19.237 1.00 0.00 C ATOM 894 CG2 VAL A 180 14.664 5.254 -20.238 1.00 0.00 C ATOM 0 H VAL A 180 13.174 6.813 -18.571 1.00 0.00 H new ATOM 0 HA VAL A 180 14.894 4.798 -17.545 1.00 0.00 H new ATOM 0 HB VAL A 180 15.420 7.095 -19.477 1.00 0.00 H new ATOM 0 HG11 VAL A 180 17.334 5.752 -20.241 1.00 0.00 H new ATOM 0 HG12 VAL A 180 17.498 6.226 -18.533 1.00 0.00 H new ATOM 0 HG13 VAL A 180 17.012 4.567 -18.953 1.00 0.00 H new ATOM 0 HG21 VAL A 180 15.098 5.394 -21.228 1.00 0.00 H new ATOM 0 HG22 VAL A 180 14.681 4.195 -19.981 1.00 0.00 H new ATOM 0 HG23 VAL A 180 13.634 5.611 -20.240 1.00 0.00 H new ATOM 904 N ASN A 181 15.418 7.921 -16.657 1.00 0.00 N ATOM 905 CA ASN A 181 16.150 8.778 -15.731 1.00 0.00 C ATOM 906 C ASN A 181 15.964 8.308 -14.292 1.00 0.00 C ATOM 907 O ASN A 181 16.881 8.397 -13.475 1.00 0.00 O ATOM 908 CB ASN A 181 15.685 10.229 -15.870 1.00 0.00 C ATOM 909 CG ASN A 181 16.789 11.222 -15.562 1.00 0.00 C ATOM 910 OD1 ASN A 181 17.627 10.985 -14.693 1.00 0.00 O ATOM 911 ND2 ASN A 181 16.793 12.341 -16.277 1.00 0.00 N ATOM 0 H ASN A 181 14.671 8.392 -17.167 1.00 0.00 H new ATOM 0 HA ASN A 181 17.210 8.718 -15.980 1.00 0.00 H new ATOM 0 HB2 ASN A 181 15.323 10.396 -16.884 1.00 0.00 H new ATOM 0 HB3 ASN A 181 14.845 10.404 -15.198 1.00 0.00 H new ATOM 0 HD21 ASN A 181 17.511 13.047 -16.116 1.00 0.00 H new ATOM 0 HD22 ASN A 181 16.078 12.495 -16.988 1.00 0.00 H new ATOM 918 N ILE A 182 14.771 7.806 -13.989 1.00 0.00 N ATOM 919 CA ILE A 182 14.465 7.320 -12.649 1.00 0.00 C ATOM 920 C ILE A 182 15.367 6.151 -12.270 1.00 0.00 C ATOM 921 O ILE A 182 15.919 6.109 -11.169 1.00 0.00 O ATOM 922 CB ILE A 182 12.994 6.878 -12.533 1.00 0.00 C ATOM 923 CG1 ILE A 182 12.063 8.007 -12.981 1.00 0.00 C ATOM 924 CG2 ILE A 182 12.679 6.459 -11.105 1.00 0.00 C ATOM 925 CD1 ILE A 182 12.178 9.256 -12.136 1.00 0.00 C ATOM 0 H ILE A 182 14.001 7.725 -14.653 1.00 0.00 H new ATOM 0 HA ILE A 182 14.642 8.149 -11.964 1.00 0.00 H new ATOM 0 HB ILE A 182 12.834 6.020 -13.186 1.00 0.00 H new ATOM 0 HG12 ILE A 182 12.283 8.258 -14.018 1.00 0.00 H new ATOM 0 HG13 ILE A 182 11.033 7.651 -12.951 1.00 0.00 H new ATOM 0 HG21 ILE A 182 11.636 6.149 -11.038 1.00 0.00 H new ATOM 0 HG22 ILE A 182 13.323 5.628 -10.819 1.00 0.00 H new ATOM 0 HG23 ILE A 182 12.852 7.299 -10.433 1.00 0.00 H new ATOM 0 HD11 ILE A 182 11.490 10.014 -12.511 1.00 0.00 H new ATOM 0 HD12 ILE A 182 11.929 9.020 -11.102 1.00 0.00 H new ATOM 0 HD13 ILE A 182 13.198 9.636 -12.186 1.00 0.00 H new ATOM 937 N THR A 183 15.514 5.201 -13.188 1.00 0.00 N ATOM 938 CA THR A 183 16.350 4.031 -12.951 1.00 0.00 C ATOM 939 C THR A 183 17.770 4.436 -12.574 1.00 0.00 C ATOM 940 O THR A 183 18.380 3.840 -11.685 1.00 0.00 O ATOM 941 CB THR A 183 16.401 3.116 -14.189 1.00 0.00 C ATOM 942 OG1 THR A 183 15.077 2.885 -14.682 1.00 0.00 O ATOM 943 CG2 THR A 183 17.062 1.788 -13.854 1.00 0.00 C ATOM 0 H THR A 183 15.064 5.219 -14.103 1.00 0.00 H new ATOM 0 HA THR A 183 15.899 3.484 -12.123 1.00 0.00 H new ATOM 0 HB THR A 183 16.993 3.614 -14.957 1.00 0.00 H new ATOM 0 HG1 THR A 183 14.939 1.923 -14.812 1.00 0.00 H new ATOM 0 HG21 THR A 183 17.086 1.159 -14.744 1.00 0.00 H new ATOM 0 HG22 THR A 183 18.080 1.966 -13.507 1.00 0.00 H new ATOM 0 HG23 THR A 183 16.494 1.286 -13.071 1.00 0.00 H new ATOM 951 N ILE A 184 18.290 5.453 -13.253 1.00 0.00 N ATOM 952 CA ILE A 184 19.638 5.939 -12.987 1.00 0.00 C ATOM 953 C ILE A 184 19.705 6.672 -11.651 1.00 0.00 C ATOM 954 O ILE A 184 20.709 6.605 -10.942 1.00 0.00 O ATOM 955 CB ILE A 184 20.127 6.882 -14.102 1.00 0.00 C ATOM 956 CG1 ILE A 184 20.000 6.202 -15.467 1.00 0.00 C ATOM 957 CG2 ILE A 184 21.566 7.304 -13.845 1.00 0.00 C ATOM 958 CD1 ILE A 184 20.825 4.940 -15.592 1.00 0.00 C ATOM 0 H ILE A 184 17.798 5.956 -13.991 1.00 0.00 H new ATOM 0 HA ILE A 184 20.287 5.064 -12.952 1.00 0.00 H new ATOM 0 HB ILE A 184 19.502 7.775 -14.103 1.00 0.00 H new ATOM 0 HG12 ILE A 184 18.952 5.961 -15.648 1.00 0.00 H new ATOM 0 HG13 ILE A 184 20.304 6.904 -16.243 1.00 0.00 H new ATOM 0 HG21 ILE A 184 21.898 7.970 -14.641 1.00 0.00 H new ATOM 0 HG22 ILE A 184 21.628 7.823 -12.889 1.00 0.00 H new ATOM 0 HG23 ILE A 184 22.205 6.421 -13.821 1.00 0.00 H new ATOM 0 HD11 ILE A 184 20.687 4.512 -16.585 1.00 0.00 H new ATOM 0 HD12 ILE A 184 21.878 5.178 -15.443 1.00 0.00 H new ATOM 0 HD13 ILE A 184 20.505 4.220 -14.838 1.00 0.00 H new ATOM 970 N LYS A 185 18.627 7.370 -11.312 1.00 0.00 N ATOM 971 CA LYS A 185 18.559 8.114 -10.059 1.00 0.00 C ATOM 972 C LYS A 185 18.875 7.210 -8.872 1.00 0.00 C ATOM 973 O LYS A 185 19.873 7.406 -8.180 1.00 0.00 O ATOM 974 CB LYS A 185 17.172 8.737 -9.886 1.00 0.00 C ATOM 975 CG LYS A 185 17.059 9.641 -8.670 1.00 0.00 C ATOM 976 CD LYS A 185 15.864 9.269 -7.809 1.00 0.00 C ATOM 977 CE LYS A 185 15.226 10.499 -7.180 1.00 0.00 C ATOM 978 NZ LYS A 185 13.902 10.808 -7.788 1.00 0.00 N ATOM 0 H LYS A 185 17.787 7.436 -11.888 1.00 0.00 H new ATOM 0 HA LYS A 185 19.304 8.909 -10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 185 16.927 9.311 -10.779 1.00 0.00 H new ATOM 0 HB3 LYS A 185 16.432 7.940 -9.806 1.00 0.00 H new ATOM 0 HG2 LYS A 185 17.971 9.571 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 185 16.967 10.678 -8.993 1.00 0.00 H new ATOM 0 HD2 LYS A 185 15.126 8.745 -8.416 1.00 0.00 H new ATOM 0 HD3 LYS A 185 16.179 8.580 -7.025 1.00 0.00 H new ATOM 0 HE2 LYS A 185 15.105 10.338 -6.109 1.00 0.00 H new ATOM 0 HE3 LYS A 185 15.890 11.355 -7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 13.500 11.652 -7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 14.020 10.986 -8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 13.260 10.001 -7.650 1.00 0.00 H new ATOM 992 N GLN A 186 18.017 6.220 -8.644 1.00 0.00 N ATOM 993 CA GLN A 186 18.206 5.286 -7.540 1.00 0.00 C ATOM 994 C GLN A 186 19.554 4.580 -7.649 1.00 0.00 C ATOM 995 O GLN A 186 20.120 4.142 -6.647 1.00 0.00 O ATOM 996 CB GLN A 186 17.077 4.255 -7.518 1.00 0.00 C ATOM 997 CG GLN A 186 15.987 4.567 -6.505 1.00 0.00 C ATOM 998 CD GLN A 186 14.907 5.468 -7.069 1.00 0.00 C ATOM 999 OE1 GLN A 186 15.192 6.418 -7.799 1.00 0.00 O ATOM 1000 NE2 GLN A 186 13.656 5.175 -6.732 1.00 0.00 N ATOM 0 H GLN A 186 17.186 6.044 -9.208 1.00 0.00 H new ATOM 0 HA GLN A 186 18.188 5.854 -6.610 1.00 0.00 H new ATOM 0 HB2 GLN A 186 16.632 4.195 -8.511 1.00 0.00 H new ATOM 0 HB3 GLN A 186 17.497 3.274 -7.297 1.00 0.00 H new ATOM 0 HG2 GLN A 186 15.536 3.635 -6.164 1.00 0.00 H new ATOM 0 HG3 GLN A 186 16.433 5.044 -5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 186 13.465 4.378 -6.124 1.00 0.00 H new ATOM 0 HE22 GLN A 186 12.887 5.747 -7.081 1.00 0.00 H new ATOM 1009 N HIS A 187 20.062 4.472 -8.873 1.00 0.00 N ATOM 1010 CA HIS A 187 21.344 3.818 -9.113 1.00 0.00 C ATOM 1011 C HIS A 187 22.446 4.459 -8.273 1.00 0.00 C ATOM 1012 O HIS A 187 23.445 3.817 -7.948 1.00 0.00 O ATOM 1013 CB HIS A 187 21.708 3.892 -10.596 1.00 0.00 C ATOM 1014 CG HIS A 187 22.210 2.597 -11.155 1.00 0.00 C ATOM 1015 ND1 HIS A 187 21.853 2.126 -12.401 1.00 0.00 N ATOM 1016 CD2 HIS A 187 23.048 1.672 -10.631 1.00 0.00 C ATOM 1017 CE1 HIS A 187 22.448 0.967 -12.618 1.00 0.00 C ATOM 1018 NE2 HIS A 187 23.180 0.669 -11.559 1.00 0.00 N ATOM 0 H HIS A 187 19.606 4.828 -9.713 1.00 0.00 H new ATOM 0 HA HIS A 187 21.251 2.772 -8.822 1.00 0.00 H new ATOM 0 HB2 HIS A 187 20.831 4.207 -11.162 1.00 0.00 H new ATOM 0 HB3 HIS A 187 22.470 4.659 -10.737 1.00 0.00 H new ATOM 0 HD2 HIS A 187 23.524 1.715 -9.663 1.00 0.00 H new ATOM 0 HE1 HIS A 187 22.352 0.365 -13.510 1.00 0.00 H new ATOM 0 HE2 HIS A 187 23.750 -0.170 -11.449 1.00 0.00 H new ATOM 1026 N THR A 188 22.257 5.728 -7.927 1.00 0.00 N ATOM 1027 CA THR A 188 23.235 6.456 -7.128 1.00 0.00 C ATOM 1028 C THR A 188 23.538 5.721 -5.827 1.00 0.00 C ATOM 1029 O THR A 188 24.627 5.853 -5.267 1.00 0.00 O ATOM 1030 CB THR A 188 22.745 7.878 -6.798 1.00 0.00 C ATOM 1031 OG1 THR A 188 23.804 8.636 -6.203 1.00 0.00 O ATOM 1032 CG2 THR A 188 21.553 7.834 -5.854 1.00 0.00 C ATOM 0 H THR A 188 21.435 6.273 -8.188 1.00 0.00 H new ATOM 0 HA THR A 188 24.144 6.523 -7.726 1.00 0.00 H new ATOM 0 HB THR A 188 22.435 8.356 -7.727 1.00 0.00 H new ATOM 0 HG1 THR A 188 23.484 9.539 -5.998 1.00 0.00 H new ATOM 0 HG21 THR A 188 21.224 8.850 -5.635 1.00 0.00 H new ATOM 0 HG22 THR A 188 20.738 7.282 -6.322 1.00 0.00 H new ATOM 0 HG23 THR A 188 21.841 7.338 -4.927 1.00 0.00 H new ATOM 1040 N VAL A 189 22.569 4.945 -5.351 1.00 0.00 N ATOM 1041 CA VAL A 189 22.734 4.187 -4.117 1.00 0.00 C ATOM 1042 C VAL A 189 23.752 3.066 -4.291 1.00 0.00 C ATOM 1043 O VAL A 189 24.692 2.937 -3.507 1.00 0.00 O ATOM 1044 CB VAL A 189 21.397 3.583 -3.646 1.00 0.00 C ATOM 1045 CG1 VAL A 189 21.580 2.837 -2.334 1.00 0.00 C ATOM 1046 CG2 VAL A 189 20.341 4.670 -3.509 1.00 0.00 C ATOM 0 H VAL A 189 21.662 4.825 -5.802 1.00 0.00 H new ATOM 0 HA VAL A 189 23.094 4.886 -3.363 1.00 0.00 H new ATOM 0 HB VAL A 189 21.056 2.869 -4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 189 20.625 2.418 -2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 189 22.302 2.032 -2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 189 21.944 3.526 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 189 19.403 4.226 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 189 20.672 5.409 -2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 189 20.190 5.155 -4.474 1.00 0.00 H new ATOM 1056 N THR A 190 23.559 2.254 -5.327 1.00 0.00 N ATOM 1057 CA THR A 190 24.459 1.143 -5.605 1.00 0.00 C ATOM 1058 C THR A 190 25.840 1.643 -6.013 1.00 0.00 C ATOM 1059 O THR A 190 26.847 0.971 -5.787 1.00 0.00 O ATOM 1060 CB THR A 190 23.904 0.236 -6.720 1.00 0.00 C ATOM 1061 OG1 THR A 190 22.638 -0.306 -6.326 1.00 0.00 O ATOM 1062 CG2 THR A 190 24.872 -0.897 -7.028 1.00 0.00 C ATOM 0 H THR A 190 22.787 2.346 -5.987 1.00 0.00 H new ATOM 0 HA THR A 190 24.542 0.565 -4.684 1.00 0.00 H new ATOM 0 HB THR A 190 23.777 0.839 -7.619 1.00 0.00 H new ATOM 0 HG1 THR A 190 22.291 -0.880 -7.041 1.00 0.00 H new ATOM 0 HG21 THR A 190 24.459 -1.524 -7.818 1.00 0.00 H new ATOM 0 HG22 THR A 190 25.825 -0.482 -7.355 1.00 0.00 H new ATOM 0 HG23 THR A 190 25.026 -1.498 -6.132 1.00 0.00 H new ATOM 1070 N THR A 191 25.882 2.828 -6.615 1.00 0.00 N ATOM 1071 CA THR A 191 27.139 3.418 -7.055 1.00 0.00 C ATOM 1072 C THR A 191 28.127 3.531 -5.899 1.00 0.00 C ATOM 1073 O THR A 191 29.341 3.556 -6.106 1.00 0.00 O ATOM 1074 CB THR A 191 26.921 4.814 -7.668 1.00 0.00 C ATOM 1075 OG1 THR A 191 26.039 4.722 -8.792 1.00 0.00 O ATOM 1076 CG2 THR A 191 28.244 5.427 -8.103 1.00 0.00 C ATOM 0 H THR A 191 25.058 3.398 -6.809 1.00 0.00 H new ATOM 0 HA THR A 191 27.549 2.756 -7.817 1.00 0.00 H new ATOM 0 HB THR A 191 26.475 5.455 -6.908 1.00 0.00 H new ATOM 0 HG1 THR A 191 25.155 4.427 -8.490 1.00 0.00 H new ATOM 0 HG21 THR A 191 28.065 6.412 -8.533 1.00 0.00 H new ATOM 0 HG22 THR A 191 28.902 5.522 -7.239 1.00 0.00 H new ATOM 0 HG23 THR A 191 28.714 4.786 -8.849 1.00 0.00 H new ATOM 1084 N THR A 192 27.600 3.600 -4.681 1.00 0.00 N ATOM 1085 CA THR A 192 28.436 3.711 -3.492 1.00 0.00 C ATOM 1086 C THR A 192 29.140 2.394 -3.190 1.00 0.00 C ATOM 1087 O THR A 192 30.235 2.377 -2.625 1.00 0.00 O ATOM 1088 CB THR A 192 27.609 4.132 -2.262 1.00 0.00 C ATOM 1089 OG1 THR A 192 26.497 4.936 -2.671 1.00 0.00 O ATOM 1090 CG2 THR A 192 28.467 4.909 -1.274 1.00 0.00 C ATOM 0 H THR A 192 26.598 3.581 -4.492 1.00 0.00 H new ATOM 0 HA THR A 192 29.181 4.479 -3.700 1.00 0.00 H new ATOM 0 HB THR A 192 27.243 3.230 -1.771 1.00 0.00 H new ATOM 0 HG1 THR A 192 25.742 4.356 -2.905 1.00 0.00 H new ATOM 0 HG21 THR A 192 27.862 5.196 -0.414 1.00 0.00 H new ATOM 0 HG22 THR A 192 29.296 4.284 -0.942 1.00 0.00 H new ATOM 0 HG23 THR A 192 28.858 5.804 -1.757 1.00 0.00 H new ATOM 1098 N THR A 193 28.507 1.288 -3.569 1.00 0.00 N ATOM 1099 CA THR A 193 29.073 -0.035 -3.338 1.00 0.00 C ATOM 1100 C THR A 193 30.476 -0.142 -3.923 1.00 0.00 C ATOM 1101 O THR A 193 31.341 -0.820 -3.369 1.00 0.00 O ATOM 1102 CB THR A 193 28.189 -1.139 -3.948 1.00 0.00 C ATOM 1103 OG1 THR A 193 26.858 -1.044 -3.428 1.00 0.00 O ATOM 1104 CG2 THR A 193 28.759 -2.517 -3.649 1.00 0.00 C ATOM 0 H THR A 193 27.601 1.283 -4.038 1.00 0.00 H new ATOM 0 HA THR A 193 29.121 -0.174 -2.258 1.00 0.00 H new ATOM 0 HB THR A 193 28.167 -1.000 -5.029 1.00 0.00 H new ATOM 0 HG1 THR A 193 26.348 -0.390 -3.951 1.00 0.00 H new ATOM 0 HG21 THR A 193 28.117 -3.280 -4.090 1.00 0.00 H new ATOM 0 HG22 THR A 193 29.760 -2.596 -4.072 1.00 0.00 H new ATOM 0 HG23 THR A 193 28.808 -2.664 -2.570 1.00 0.00 H new ATOM 1112 N LYS A 194 30.697 0.532 -5.047 1.00 0.00 N ATOM 1113 CA LYS A 194 31.997 0.515 -5.707 1.00 0.00 C ATOM 1114 C LYS A 194 32.717 1.847 -5.526 1.00 0.00 C ATOM 1115 O LYS A 194 33.912 1.959 -5.794 1.00 0.00 O ATOM 1116 CB LYS A 194 31.830 0.211 -7.198 1.00 0.00 C ATOM 1117 CG LYS A 194 31.791 -1.274 -7.515 1.00 0.00 C ATOM 1118 CD LYS A 194 30.421 -1.868 -7.236 1.00 0.00 C ATOM 1119 CE LYS A 194 30.178 -3.121 -8.062 1.00 0.00 C ATOM 1120 NZ LYS A 194 29.220 -2.875 -9.176 1.00 0.00 N ATOM 0 H LYS A 194 29.992 1.097 -5.520 1.00 0.00 H new ATOM 0 HA LYS A 194 32.600 -0.268 -5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 194 30.910 0.674 -7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 194 32.651 0.670 -7.748 1.00 0.00 H new ATOM 0 HG2 LYS A 194 32.050 -1.430 -8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 194 32.542 -1.794 -6.920 1.00 0.00 H new ATOM 0 HD2 LYS A 194 30.336 -2.108 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 194 29.651 -1.129 -7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 194 31.125 -3.477 -8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 194 29.791 -3.911 -7.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 29.081 -3.754 -9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 28.308 -2.560 -8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 29.601 -2.139 -9.805 1.00 0.00 H new ATOM 1134 N GLY A 195 31.980 2.856 -5.068 1.00 0.00 N ATOM 1135 CA GLY A 195 32.566 4.167 -4.858 1.00 0.00 C ATOM 1136 C GLY A 195 33.127 4.762 -6.135 1.00 0.00 C ATOM 1137 O GLY A 195 34.185 5.391 -6.120 1.00 0.00 O ATOM 0 H GLY A 195 30.988 2.788 -4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 195 31.811 4.838 -4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 195 33.361 4.092 -4.116 1.00 0.00 H new ATOM 1141 N GLU A 196 32.417 4.563 -7.241 1.00 0.00 N ATOM 1142 CA GLU A 196 32.853 5.083 -8.531 1.00 0.00 C ATOM 1143 C GLU A 196 31.929 6.200 -9.008 1.00 0.00 C ATOM 1144 O GLU A 196 30.945 6.529 -8.348 1.00 0.00 O ATOM 1145 CB GLU A 196 32.894 3.961 -9.571 1.00 0.00 C ATOM 1146 CG GLU A 196 34.291 3.659 -10.086 1.00 0.00 C ATOM 1147 CD GLU A 196 34.285 2.699 -11.260 1.00 0.00 C ATOM 1148 OE1 GLU A 196 33.580 1.672 -11.184 1.00 0.00 O ATOM 1149 OE2 GLU A 196 34.986 2.977 -12.256 1.00 0.00 O ATOM 0 H GLU A 196 31.538 4.046 -7.269 1.00 0.00 H new ATOM 0 HA GLU A 196 33.856 5.492 -8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 196 32.474 3.056 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 196 32.257 4.233 -10.412 1.00 0.00 H new ATOM 0 HG2 GLU A 196 34.773 4.590 -10.385 1.00 0.00 H new ATOM 0 HG3 GLU A 196 34.888 3.236 -9.278 1.00 0.00 H new ATOM 1156 N ASN A 197 32.255 6.779 -10.159 1.00 0.00 N ATOM 1157 CA ASN A 197 31.455 7.860 -10.724 1.00 0.00 C ATOM 1158 C ASN A 197 31.032 7.534 -12.153 1.00 0.00 C ATOM 1159 O ASN A 197 31.684 6.748 -12.841 1.00 0.00 O ATOM 1160 CB ASN A 197 32.243 9.171 -10.700 1.00 0.00 C ATOM 1161 CG ASN A 197 32.624 9.592 -9.294 1.00 0.00 C ATOM 1162 OD1 ASN A 197 33.785 9.889 -9.016 1.00 0.00 O ATOM 1163 ND2 ASN A 197 31.643 9.619 -8.399 1.00 0.00 N ATOM 0 H ASN A 197 33.067 6.518 -10.718 1.00 0.00 H new ATOM 0 HA ASN A 197 30.558 7.972 -10.115 1.00 0.00 H new ATOM 0 HB2 ASN A 197 33.146 9.060 -11.300 1.00 0.00 H new ATOM 0 HB3 ASN A 197 31.648 9.958 -11.163 1.00 0.00 H new ATOM 0 HD21 ASN A 197 31.838 9.894 -7.436 1.00 0.00 H new ATOM 0 HD22 ASN A 197 30.694 9.365 -8.674 1.00 0.00 H new ATOM 1170 N PHE A 198 29.936 8.142 -12.593 1.00 0.00 N ATOM 1171 CA PHE A 198 29.424 7.916 -13.940 1.00 0.00 C ATOM 1172 C PHE A 198 29.556 9.177 -14.790 1.00 0.00 C ATOM 1173 O PHE A 198 29.227 10.277 -14.346 1.00 0.00 O ATOM 1174 CB PHE A 198 27.960 7.476 -13.885 1.00 0.00 C ATOM 1175 CG PHE A 198 27.115 8.315 -12.970 1.00 0.00 C ATOM 1176 CD1 PHE A 198 26.464 9.442 -13.446 1.00 0.00 C ATOM 1177 CD2 PHE A 198 26.972 7.978 -11.634 1.00 0.00 C ATOM 1178 CE1 PHE A 198 25.686 10.217 -12.606 1.00 0.00 C ATOM 1179 CE2 PHE A 198 26.194 8.748 -10.790 1.00 0.00 C ATOM 1180 CZ PHE A 198 25.552 9.870 -11.276 1.00 0.00 C ATOM 0 H PHE A 198 29.385 8.795 -12.037 1.00 0.00 H new ATOM 0 HA PHE A 198 30.017 7.125 -14.399 1.00 0.00 H new ATOM 0 HB2 PHE A 198 27.540 7.513 -14.890 1.00 0.00 H new ATOM 0 HB3 PHE A 198 27.913 6.437 -13.558 1.00 0.00 H new ATOM 0 HD1 PHE A 198 26.566 9.718 -14.485 1.00 0.00 H new ATOM 0 HD2 PHE A 198 27.474 7.104 -11.247 1.00 0.00 H new ATOM 0 HE1 PHE A 198 25.184 11.093 -12.989 1.00 0.00 H new ATOM 0 HE2 PHE A 198 26.088 8.472 -9.751 1.00 0.00 H new ATOM 0 HZ PHE A 198 24.946 10.475 -10.617 1.00 0.00 H new ATOM 1190 N THR A 199 30.041 9.008 -16.016 1.00 0.00 N ATOM 1191 CA THR A 199 30.219 10.130 -16.929 1.00 0.00 C ATOM 1192 C THR A 199 29.056 10.232 -17.909 1.00 0.00 C ATOM 1193 O THR A 199 28.329 9.264 -18.124 1.00 0.00 O ATOM 1194 CB THR A 199 31.534 10.007 -17.721 1.00 0.00 C ATOM 1195 OG1 THR A 199 31.584 8.743 -18.393 1.00 0.00 O ATOM 1196 CG2 THR A 199 32.737 10.145 -16.800 1.00 0.00 C ATOM 0 H THR A 199 30.318 8.104 -16.400 1.00 0.00 H new ATOM 0 HA THR A 199 30.255 11.032 -16.318 1.00 0.00 H new ATOM 0 HB THR A 199 31.566 10.811 -18.456 1.00 0.00 H new ATOM 0 HG1 THR A 199 32.422 8.673 -18.896 1.00 0.00 H new ATOM 0 HG21 THR A 199 33.654 10.055 -17.383 1.00 0.00 H new ATOM 0 HG22 THR A 199 32.712 11.119 -16.312 1.00 0.00 H new ATOM 0 HG23 THR A 199 32.709 9.360 -16.044 1.00 0.00 H new ATOM 1204 N GLU A 200 28.888 11.411 -18.500 1.00 0.00 N ATOM 1205 CA GLU A 200 27.812 11.637 -19.457 1.00 0.00 C ATOM 1206 C GLU A 200 27.892 10.643 -20.612 1.00 0.00 C ATOM 1207 O GLU A 200 26.884 10.322 -21.243 1.00 0.00 O ATOM 1208 CB GLU A 200 27.872 13.068 -19.997 1.00 0.00 C ATOM 1209 CG GLU A 200 29.103 13.349 -20.842 1.00 0.00 C ATOM 1210 CD GLU A 200 29.365 14.832 -21.017 1.00 0.00 C ATOM 1211 OE1 GLU A 200 29.019 15.607 -20.101 1.00 0.00 O ATOM 1212 OE2 GLU A 200 29.915 15.218 -22.069 1.00 0.00 O ATOM 0 H GLU A 200 29.482 12.223 -18.333 1.00 0.00 H new ATOM 0 HA GLU A 200 26.864 11.490 -18.939 1.00 0.00 H new ATOM 0 HB2 GLU A 200 26.980 13.260 -20.594 1.00 0.00 H new ATOM 0 HB3 GLU A 200 27.850 13.765 -19.159 1.00 0.00 H new ATOM 0 HG2 GLU A 200 29.972 12.883 -20.378 1.00 0.00 H new ATOM 0 HG3 GLU A 200 28.979 12.888 -21.822 1.00 0.00 H new ATOM 1219 N THR A 201 29.100 10.159 -20.885 1.00 0.00 N ATOM 1220 CA THR A 201 29.314 9.203 -21.964 1.00 0.00 C ATOM 1221 C THR A 201 28.919 7.794 -21.537 1.00 0.00 C ATOM 1222 O THR A 201 28.278 7.063 -22.293 1.00 0.00 O ATOM 1223 CB THR A 201 30.785 9.194 -22.423 1.00 0.00 C ATOM 1224 OG1 THR A 201 31.221 10.531 -22.695 1.00 0.00 O ATOM 1225 CG2 THR A 201 30.958 8.336 -23.667 1.00 0.00 C ATOM 0 H THR A 201 29.945 10.414 -20.373 1.00 0.00 H new ATOM 0 HA THR A 201 28.683 9.518 -22.795 1.00 0.00 H new ATOM 0 HB THR A 201 31.391 8.771 -21.622 1.00 0.00 H new ATOM 0 HG1 THR A 201 32.157 10.517 -22.984 1.00 0.00 H new ATOM 0 HG21 THR A 201 32.004 8.345 -23.972 1.00 0.00 H new ATOM 0 HG22 THR A 201 30.652 7.313 -23.449 1.00 0.00 H new ATOM 0 HG23 THR A 201 30.342 8.735 -24.473 1.00 0.00 H new ATOM 1233 N ASP A 202 29.304 7.419 -20.323 1.00 0.00 N ATOM 1234 CA ASP A 202 28.988 6.097 -19.794 1.00 0.00 C ATOM 1235 C ASP A 202 27.488 5.952 -19.555 1.00 0.00 C ATOM 1236 O ASP A 202 26.866 4.993 -20.010 1.00 0.00 O ATOM 1237 CB ASP A 202 29.751 5.849 -18.492 1.00 0.00 C ATOM 1238 CG ASP A 202 29.358 4.542 -17.831 1.00 0.00 C ATOM 1239 OD1 ASP A 202 29.557 3.478 -18.454 1.00 0.00 O ATOM 1240 OD2 ASP A 202 28.853 4.584 -16.690 1.00 0.00 O ATOM 0 H ASP A 202 29.836 8.012 -19.686 1.00 0.00 H new ATOM 0 HA ASP A 202 29.294 5.355 -20.532 1.00 0.00 H new ATOM 0 HB2 ASP A 202 30.821 5.842 -18.697 1.00 0.00 H new ATOM 0 HB3 ASP A 202 29.564 6.672 -17.802 1.00 0.00 H new ATOM 1245 N VAL A 203 26.913 6.912 -18.836 1.00 0.00 N ATOM 1246 CA VAL A 203 25.487 6.891 -18.536 1.00 0.00 C ATOM 1247 C VAL A 203 24.659 6.763 -19.809 1.00 0.00 C ATOM 1248 O VAL A 203 23.601 6.132 -19.815 1.00 0.00 O ATOM 1249 CB VAL A 203 25.054 8.162 -17.781 1.00 0.00 C ATOM 1250 CG1 VAL A 203 25.340 9.402 -18.614 1.00 0.00 C ATOM 1251 CG2 VAL A 203 23.580 8.086 -17.412 1.00 0.00 C ATOM 0 H VAL A 203 27.413 7.713 -18.451 1.00 0.00 H new ATOM 0 HA VAL A 203 25.310 6.022 -17.902 1.00 0.00 H new ATOM 0 HB VAL A 203 25.633 8.231 -16.860 1.00 0.00 H new ATOM 0 HG11 VAL A 203 25.027 10.290 -18.064 1.00 0.00 H new ATOM 0 HG12 VAL A 203 26.408 9.462 -18.823 1.00 0.00 H new ATOM 0 HG13 VAL A 203 24.790 9.344 -19.553 1.00 0.00 H new ATOM 0 HG21 VAL A 203 23.291 8.992 -16.879 1.00 0.00 H new ATOM 0 HG22 VAL A 203 22.982 7.992 -18.319 1.00 0.00 H new ATOM 0 HG23 VAL A 203 23.409 7.219 -16.773 1.00 0.00 H new ATOM 1261 N LYS A 204 25.146 7.366 -20.888 1.00 0.00 N ATOM 1262 CA LYS A 204 24.453 7.318 -22.170 1.00 0.00 C ATOM 1263 C LYS A 204 24.248 5.877 -22.625 1.00 0.00 C ATOM 1264 O LYS A 204 23.138 5.479 -22.976 1.00 0.00 O ATOM 1265 CB LYS A 204 25.243 8.091 -23.229 1.00 0.00 C ATOM 1266 CG LYS A 204 24.403 8.524 -24.419 1.00 0.00 C ATOM 1267 CD LYS A 204 24.335 7.437 -25.478 1.00 0.00 C ATOM 1268 CE LYS A 204 24.889 7.920 -26.809 1.00 0.00 C ATOM 1269 NZ LYS A 204 24.168 7.314 -27.963 1.00 0.00 N ATOM 0 H LYS A 204 26.019 7.894 -20.900 1.00 0.00 H new ATOM 0 HA LYS A 204 23.475 7.782 -22.043 1.00 0.00 H new ATOM 0 HB2 LYS A 204 25.686 8.973 -22.767 1.00 0.00 H new ATOM 0 HB3 LYS A 204 26.065 7.469 -23.583 1.00 0.00 H new ATOM 0 HG2 LYS A 204 23.395 8.770 -24.084 1.00 0.00 H new ATOM 0 HG3 LYS A 204 24.825 9.430 -24.853 1.00 0.00 H new ATOM 0 HD2 LYS A 204 24.898 6.566 -25.143 1.00 0.00 H new ATOM 0 HD3 LYS A 204 23.301 7.118 -25.607 1.00 0.00 H new ATOM 0 HE2 LYS A 204 24.811 9.006 -26.862 1.00 0.00 H new ATOM 0 HE3 LYS A 204 25.949 7.673 -26.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 204 24.575 7.668 -28.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 204 24.263 6.279 -27.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 204 23.161 7.571 -27.917 1.00 0.00 H new ATOM 1283 N MET A 205 25.326 5.099 -22.616 1.00 0.00 N ATOM 1284 CA MET A 205 25.263 3.701 -23.026 1.00 0.00 C ATOM 1285 C MET A 205 24.341 2.907 -22.106 1.00 0.00 C ATOM 1286 O MET A 205 23.676 1.966 -22.540 1.00 0.00 O ATOM 1287 CB MET A 205 26.662 3.083 -23.022 1.00 0.00 C ATOM 1288 CG MET A 205 27.694 3.909 -23.773 1.00 0.00 C ATOM 1289 SD MET A 205 28.424 3.016 -25.159 1.00 0.00 S ATOM 1290 CE MET A 205 30.162 3.095 -24.734 1.00 0.00 C ATOM 0 H MET A 205 26.253 5.413 -22.329 1.00 0.00 H new ATOM 0 HA MET A 205 24.860 3.662 -24.038 1.00 0.00 H new ATOM 0 HB2 MET A 205 26.991 2.956 -21.991 1.00 0.00 H new ATOM 0 HB3 MET A 205 26.612 2.089 -23.465 1.00 0.00 H new ATOM 0 HG2 MET A 205 27.225 4.822 -24.141 1.00 0.00 H new ATOM 0 HG3 MET A 205 28.483 4.211 -23.084 1.00 0.00 H new ATOM 0 HE1 MET A 205 30.726 2.426 -25.384 1.00 0.00 H new ATOM 0 HE2 MET A 205 30.522 4.116 -24.864 1.00 0.00 H new ATOM 0 HE3 MET A 205 30.297 2.792 -23.696 1.00 0.00 H new ATOM 1300 N MET A 206 24.306 3.291 -20.834 1.00 0.00 N ATOM 1301 CA MET A 206 23.465 2.614 -19.855 1.00 0.00 C ATOM 1302 C MET A 206 21.992 2.938 -20.087 1.00 0.00 C ATOM 1303 O MET A 206 21.139 2.052 -20.040 1.00 0.00 O ATOM 1304 CB MET A 206 23.870 3.018 -18.436 1.00 0.00 C ATOM 1305 CG MET A 206 22.891 2.556 -17.369 1.00 0.00 C ATOM 1306 SD MET A 206 23.714 2.036 -15.851 1.00 0.00 S ATOM 1307 CE MET A 206 24.720 3.476 -15.500 1.00 0.00 C ATOM 0 H MET A 206 24.850 4.067 -20.458 1.00 0.00 H new ATOM 0 HA MET A 206 23.606 1.540 -19.973 1.00 0.00 H new ATOM 0 HB2 MET A 206 24.855 2.605 -18.217 1.00 0.00 H new ATOM 0 HB3 MET A 206 23.961 4.103 -18.388 1.00 0.00 H new ATOM 0 HG2 MET A 206 22.197 3.366 -17.143 1.00 0.00 H new ATOM 0 HG3 MET A 206 22.299 1.728 -17.759 1.00 0.00 H new ATOM 0 HE1 MET A 206 25.094 3.418 -14.478 1.00 0.00 H new ATOM 0 HE2 MET A 206 25.561 3.510 -16.193 1.00 0.00 H new ATOM 0 HE3 MET A 206 24.118 4.377 -15.616 1.00 0.00 H new ATOM 1317 N GLU A 207 21.703 4.211 -20.336 1.00 0.00 N ATOM 1318 CA GLU A 207 20.333 4.650 -20.574 1.00 0.00 C ATOM 1319 C GLU A 207 19.691 3.845 -21.701 1.00 0.00 C ATOM 1320 O GLU A 207 18.473 3.670 -21.738 1.00 0.00 O ATOM 1321 CB GLU A 207 20.303 6.140 -20.917 1.00 0.00 C ATOM 1322 CG GLU A 207 20.815 7.033 -19.799 1.00 0.00 C ATOM 1323 CD GLU A 207 19.767 8.012 -19.308 1.00 0.00 C ATOM 1324 OE1 GLU A 207 18.965 8.488 -20.139 1.00 0.00 O ATOM 1325 OE2 GLU A 207 19.748 8.303 -18.094 1.00 0.00 O ATOM 0 H GLU A 207 22.398 4.956 -20.378 1.00 0.00 H new ATOM 0 HA GLU A 207 19.762 4.483 -19.660 1.00 0.00 H new ATOM 0 HB2 GLU A 207 20.903 6.311 -21.811 1.00 0.00 H new ATOM 0 HB3 GLU A 207 19.280 6.428 -21.161 1.00 0.00 H new ATOM 0 HG2 GLU A 207 21.146 6.413 -18.966 1.00 0.00 H new ATOM 0 HG3 GLU A 207 21.686 7.585 -20.151 1.00 0.00 H new ATOM 1332 N ARG A 208 20.521 3.357 -22.618 1.00 0.00 N ATOM 1333 CA ARG A 208 20.036 2.572 -23.746 1.00 0.00 C ATOM 1334 C ARG A 208 19.416 1.261 -23.271 1.00 0.00 C ATOM 1335 O ARG A 208 18.375 0.836 -23.772 1.00 0.00 O ATOM 1336 CB ARG A 208 21.178 2.284 -24.723 1.00 0.00 C ATOM 1337 CG ARG A 208 21.010 2.962 -26.073 1.00 0.00 C ATOM 1338 CD ARG A 208 22.054 2.483 -27.070 1.00 0.00 C ATOM 1339 NE ARG A 208 21.614 2.663 -28.451 1.00 0.00 N ATOM 1340 CZ ARG A 208 21.514 3.848 -29.042 1.00 0.00 C ATOM 1341 NH1 ARG A 208 21.821 4.953 -28.376 1.00 0.00 N ATOM 1342 NH2 ARG A 208 21.106 3.930 -30.302 1.00 0.00 N ATOM 0 H ARG A 208 21.532 3.492 -22.601 1.00 0.00 H new ATOM 0 HA ARG A 208 19.268 3.153 -24.256 1.00 0.00 H new ATOM 0 HB2 ARG A 208 22.118 2.610 -24.277 1.00 0.00 H new ATOM 0 HB3 ARG A 208 21.253 1.207 -24.874 1.00 0.00 H new ATOM 0 HG2 ARG A 208 20.013 2.758 -26.462 1.00 0.00 H new ATOM 0 HG3 ARG A 208 21.090 4.042 -25.951 1.00 0.00 H new ATOM 0 HD2 ARG A 208 22.984 3.029 -26.912 1.00 0.00 H new ATOM 0 HD3 ARG A 208 22.269 1.429 -26.892 1.00 0.00 H new ATOM 0 HE ARG A 208 21.370 1.833 -28.991 1.00 0.00 H new ATOM 0 HH11 ARG A 208 22.135 4.894 -27.407 1.00 0.00 H new ATOM 0 HH12 ARG A 208 21.743 5.862 -28.833 1.00 0.00 H new ATOM 0 HH21 ARG A 208 20.869 3.082 -30.817 1.00 0.00 H new ATOM 0 HH22 ARG A 208 21.029 4.841 -30.755 1.00 0.00 H new ATOM 1356 N VAL A 209 20.064 0.624 -22.300 1.00 0.00 N ATOM 1357 CA VAL A 209 19.577 -0.638 -21.757 1.00 0.00 C ATOM 1358 C VAL A 209 18.351 -0.421 -20.876 1.00 0.00 C ATOM 1359 O VAL A 209 17.450 -1.258 -20.830 1.00 0.00 O ATOM 1360 CB VAL A 209 20.666 -1.353 -20.934 1.00 0.00 C ATOM 1361 CG1 VAL A 209 20.205 -2.746 -20.535 1.00 0.00 C ATOM 1362 CG2 VAL A 209 21.968 -1.417 -21.718 1.00 0.00 C ATOM 0 H VAL A 209 20.927 0.962 -21.874 1.00 0.00 H new ATOM 0 HA VAL A 209 19.304 -1.264 -22.607 1.00 0.00 H new ATOM 0 HB VAL A 209 20.844 -0.781 -20.023 1.00 0.00 H new ATOM 0 HG11 VAL A 209 20.987 -3.236 -19.955 1.00 0.00 H new ATOM 0 HG12 VAL A 209 19.299 -2.671 -19.933 1.00 0.00 H new ATOM 0 HG13 VAL A 209 19.998 -3.331 -21.431 1.00 0.00 H new ATOM 0 HG21 VAL A 209 22.727 -1.925 -21.123 1.00 0.00 H new ATOM 0 HG22 VAL A 209 21.807 -1.966 -22.646 1.00 0.00 H new ATOM 0 HG23 VAL A 209 22.304 -0.406 -21.948 1.00 0.00 H new ATOM 1372 N VAL A 210 18.324 0.711 -20.178 1.00 0.00 N ATOM 1373 CA VAL A 210 17.208 1.040 -19.300 1.00 0.00 C ATOM 1374 C VAL A 210 15.943 1.324 -20.101 1.00 0.00 C ATOM 1375 O VAL A 210 14.834 1.033 -19.653 1.00 0.00 O ATOM 1376 CB VAL A 210 17.529 2.262 -18.419 1.00 0.00 C ATOM 1377 CG1 VAL A 210 16.361 2.577 -17.496 1.00 0.00 C ATOM 1378 CG2 VAL A 210 18.801 2.023 -17.620 1.00 0.00 C ATOM 0 H VAL A 210 19.062 1.415 -20.204 1.00 0.00 H new ATOM 0 HA VAL A 210 17.042 0.173 -18.661 1.00 0.00 H new ATOM 0 HB VAL A 210 17.691 3.123 -19.067 1.00 0.00 H new ATOM 0 HG11 VAL A 210 16.606 3.443 -16.881 1.00 0.00 H new ATOM 0 HG12 VAL A 210 15.475 2.794 -18.092 1.00 0.00 H new ATOM 0 HG13 VAL A 210 16.164 1.720 -16.852 1.00 0.00 H new ATOM 0 HG21 VAL A 210 19.013 2.896 -17.003 1.00 0.00 H new ATOM 0 HG22 VAL A 210 18.670 1.150 -16.980 1.00 0.00 H new ATOM 0 HG23 VAL A 210 19.633 1.851 -18.303 1.00 0.00 H new ATOM 1388 N GLU A 211 16.117 1.893 -21.290 1.00 0.00 N ATOM 1389 CA GLU A 211 14.988 2.216 -22.155 1.00 0.00 C ATOM 1390 C GLU A 211 14.303 0.946 -22.652 1.00 0.00 C ATOM 1391 O GLU A 211 13.091 0.787 -22.510 1.00 0.00 O ATOM 1392 CB GLU A 211 15.452 3.058 -23.345 1.00 0.00 C ATOM 1393 CG GLU A 211 14.367 3.299 -24.380 1.00 0.00 C ATOM 1394 CD GLU A 211 14.777 4.314 -25.430 1.00 0.00 C ATOM 1395 OE1 GLU A 211 14.969 5.495 -25.071 1.00 0.00 O ATOM 1396 OE2 GLU A 211 14.906 3.927 -26.610 1.00 0.00 O ATOM 0 H GLU A 211 17.028 2.140 -21.676 1.00 0.00 H new ATOM 0 HA GLU A 211 14.269 2.791 -21.571 1.00 0.00 H new ATOM 0 HB2 GLU A 211 15.814 4.019 -22.980 1.00 0.00 H new ATOM 0 HB3 GLU A 211 16.295 2.561 -23.824 1.00 0.00 H new ATOM 0 HG2 GLU A 211 14.120 2.356 -24.868 1.00 0.00 H new ATOM 0 HG3 GLU A 211 13.463 3.645 -23.879 1.00 0.00 H new ATOM 1403 N GLN A 212 15.088 0.048 -23.237 1.00 0.00 N ATOM 1404 CA GLN A 212 14.557 -1.207 -23.757 1.00 0.00 C ATOM 1405 C GLN A 212 13.758 -1.944 -22.688 1.00 0.00 C ATOM 1406 O GLN A 212 12.756 -2.594 -22.986 1.00 0.00 O ATOM 1407 CB GLN A 212 15.695 -2.095 -24.264 1.00 0.00 C ATOM 1408 CG GLN A 212 15.563 -2.475 -25.730 1.00 0.00 C ATOM 1409 CD GLN A 212 14.445 -3.468 -25.978 1.00 0.00 C ATOM 1410 OE1 GLN A 212 13.713 -3.838 -25.060 1.00 0.00 O ATOM 1411 NE2 GLN A 212 14.307 -3.905 -27.224 1.00 0.00 N ATOM 0 H GLN A 212 16.093 0.165 -23.363 1.00 0.00 H new ATOM 0 HA GLN A 212 13.890 -0.975 -24.587 1.00 0.00 H new ATOM 0 HB2 GLN A 212 16.643 -1.577 -24.115 1.00 0.00 H new ATOM 0 HB3 GLN A 212 15.731 -3.004 -23.663 1.00 0.00 H new ATOM 0 HG2 GLN A 212 15.382 -1.576 -26.319 1.00 0.00 H new ATOM 0 HG3 GLN A 212 16.505 -2.900 -26.077 1.00 0.00 H new ATOM 0 HE21 GLN A 212 14.936 -3.571 -27.954 1.00 0.00 H new ATOM 0 HE22 GLN A 212 13.572 -4.574 -27.451 1.00 0.00 H new ATOM 1420 N MET A 213 14.208 -1.840 -21.442 1.00 0.00 N ATOM 1421 CA MET A 213 13.534 -2.497 -20.328 1.00 0.00 C ATOM 1422 C MET A 213 12.097 -2.002 -20.194 1.00 0.00 C ATOM 1423 O MET A 213 11.177 -2.789 -19.969 1.00 0.00 O ATOM 1424 CB MET A 213 14.295 -2.248 -19.025 1.00 0.00 C ATOM 1425 CG MET A 213 14.728 -3.524 -18.321 1.00 0.00 C ATOM 1426 SD MET A 213 16.521 -3.700 -18.244 1.00 0.00 S ATOM 1427 CE MET A 213 16.975 -2.184 -17.406 1.00 0.00 C ATOM 0 H MET A 213 15.037 -1.307 -21.178 1.00 0.00 H new ATOM 0 HA MET A 213 13.514 -3.568 -20.529 1.00 0.00 H new ATOM 0 HB2 MET A 213 15.176 -1.643 -19.238 1.00 0.00 H new ATOM 0 HB3 MET A 213 13.665 -1.667 -18.351 1.00 0.00 H new ATOM 0 HG2 MET A 213 14.322 -3.532 -17.309 1.00 0.00 H new ATOM 0 HG3 MET A 213 14.304 -4.383 -18.841 1.00 0.00 H new ATOM 0 HE1 MET A 213 17.793 -1.703 -17.942 1.00 0.00 H new ATOM 0 HE2 MET A 213 16.116 -1.513 -17.377 1.00 0.00 H new ATOM 0 HE3 MET A 213 17.292 -2.412 -16.388 1.00 0.00 H new ATOM 1437 N CYS A 214 11.911 -0.694 -20.334 1.00 0.00 N ATOM 1438 CA CYS A 214 10.587 -0.093 -20.228 1.00 0.00 C ATOM 1439 C CYS A 214 9.607 -0.766 -21.185 1.00 0.00 C ATOM 1440 O CYS A 214 8.463 -1.044 -20.823 1.00 0.00 O ATOM 1441 CB CYS A 214 10.659 1.406 -20.525 1.00 0.00 C ATOM 1442 SG CYS A 214 11.793 2.326 -19.436 1.00 0.00 S ATOM 0 H CYS A 214 12.662 -0.029 -20.521 1.00 0.00 H new ATOM 0 HA CYS A 214 10.230 -0.237 -19.208 1.00 0.00 H new ATOM 0 HB2 CYS A 214 10.972 1.546 -21.560 1.00 0.00 H new ATOM 0 HB3 CYS A 214 9.660 1.832 -20.434 1.00 0.00 H new ATOM 0 HG CYS A 214 12.986 1.816 -19.521 1.00 0.00 H new ATOM 1447 N ILE A 215 10.063 -1.023 -22.406 1.00 0.00 N ATOM 1448 CA ILE A 215 9.227 -1.664 -23.414 1.00 0.00 C ATOM 1449 C ILE A 215 9.029 -3.144 -23.104 1.00 0.00 C ATOM 1450 O ILE A 215 7.941 -3.690 -23.292 1.00 0.00 O ATOM 1451 CB ILE A 215 9.835 -1.523 -24.822 1.00 0.00 C ATOM 1452 CG1 ILE A 215 10.120 -0.052 -25.133 1.00 0.00 C ATOM 1453 CG2 ILE A 215 8.900 -2.119 -25.864 1.00 0.00 C ATOM 1454 CD1 ILE A 215 11.577 0.326 -24.982 1.00 0.00 C ATOM 0 H ILE A 215 11.006 -0.797 -22.721 1.00 0.00 H new ATOM 0 HA ILE A 215 8.262 -1.158 -23.391 1.00 0.00 H new ATOM 0 HB ILE A 215 10.777 -2.070 -24.852 1.00 0.00 H new ATOM 0 HG12 ILE A 215 9.801 0.164 -26.153 1.00 0.00 H new ATOM 0 HG13 ILE A 215 9.520 0.574 -24.472 1.00 0.00 H new ATOM 0 HG21 ILE A 215 9.343 -2.012 -26.854 1.00 0.00 H new ATOM 0 HG22 ILE A 215 8.742 -3.176 -25.649 1.00 0.00 H new ATOM 0 HG23 ILE A 215 7.944 -1.597 -25.836 1.00 0.00 H new ATOM 0 HD11 ILE A 215 11.705 1.382 -25.218 1.00 0.00 H new ATOM 0 HD12 ILE A 215 11.896 0.142 -23.956 1.00 0.00 H new ATOM 0 HD13 ILE A 215 12.181 -0.274 -25.663 1.00 0.00 H new ATOM 1466 N THR A 216 10.088 -3.790 -22.625 1.00 0.00 N ATOM 1467 CA THR A 216 10.032 -5.206 -22.287 1.00 0.00 C ATOM 1468 C THR A 216 8.953 -5.481 -21.246 1.00 0.00 C ATOM 1469 O THR A 216 8.287 -6.515 -21.287 1.00 0.00 O ATOM 1470 CB THR A 216 11.385 -5.711 -21.753 1.00 0.00 C ATOM 1471 OG1 THR A 216 12.445 -5.274 -22.611 1.00 0.00 O ATOM 1472 CG2 THR A 216 11.397 -7.229 -21.657 1.00 0.00 C ATOM 0 H THR A 216 10.996 -3.354 -22.463 1.00 0.00 H new ATOM 0 HA THR A 216 9.791 -5.740 -23.206 1.00 0.00 H new ATOM 0 HB THR A 216 11.533 -5.299 -20.755 1.00 0.00 H new ATOM 0 HG1 THR A 216 12.547 -4.302 -22.536 1.00 0.00 H new ATOM 0 HG21 THR A 216 12.363 -7.562 -21.277 1.00 0.00 H new ATOM 0 HG22 THR A 216 10.608 -7.557 -20.980 1.00 0.00 H new ATOM 0 HG23 THR A 216 11.228 -7.657 -22.645 1.00 0.00 H new ATOM 1480 N GLN A 217 8.785 -4.548 -20.314 1.00 0.00 N ATOM 1481 CA GLN A 217 7.786 -4.691 -19.262 1.00 0.00 C ATOM 1482 C GLN A 217 6.406 -4.956 -19.855 1.00 0.00 C ATOM 1483 O GLN A 217 5.562 -5.597 -19.227 1.00 0.00 O ATOM 1484 CB GLN A 217 7.747 -3.433 -18.392 1.00 0.00 C ATOM 1485 CG GLN A 217 7.295 -3.695 -16.965 1.00 0.00 C ATOM 1486 CD GLN A 217 8.426 -4.159 -16.070 1.00 0.00 C ATOM 1487 OE1 GLN A 217 9.468 -3.509 -15.979 1.00 0.00 O ATOM 1488 NE2 GLN A 217 8.227 -5.290 -15.402 1.00 0.00 N ATOM 0 H GLN A 217 9.328 -3.686 -20.266 1.00 0.00 H new ATOM 0 HA GLN A 217 8.066 -5.544 -18.643 1.00 0.00 H new ATOM 0 HB2 GLN A 217 8.740 -2.983 -18.373 1.00 0.00 H new ATOM 0 HB3 GLN A 217 7.076 -2.706 -18.849 1.00 0.00 H new ATOM 0 HG2 GLN A 217 6.861 -2.784 -16.553 1.00 0.00 H new ATOM 0 HG3 GLN A 217 6.508 -4.449 -16.970 1.00 0.00 H new ATOM 0 HE21 GLN A 217 7.348 -5.797 -15.507 1.00 0.00 H new ATOM 0 HE22 GLN A 217 8.953 -5.652 -14.784 1.00 0.00 H new ATOM 1497 N TYR A 218 6.182 -4.459 -21.066 1.00 0.00 N ATOM 1498 CA TYR A 218 4.903 -4.640 -21.742 1.00 0.00 C ATOM 1499 C TYR A 218 5.059 -5.525 -22.975 1.00 0.00 C ATOM 1500 O TYR A 218 5.684 -5.131 -23.959 1.00 0.00 O ATOM 1501 CB TYR A 218 4.318 -3.285 -22.143 1.00 0.00 C ATOM 1502 CG TYR A 218 4.158 -2.328 -20.984 1.00 0.00 C ATOM 1503 CD1 TYR A 218 3.018 -2.351 -20.190 1.00 0.00 C ATOM 1504 CD2 TYR A 218 5.147 -1.399 -20.682 1.00 0.00 C ATOM 1505 CE1 TYR A 218 2.867 -1.478 -19.130 1.00 0.00 C ATOM 1506 CE2 TYR A 218 5.006 -0.523 -19.624 1.00 0.00 C ATOM 1507 CZ TYR A 218 3.864 -0.566 -18.851 1.00 0.00 C ATOM 1508 OH TYR A 218 3.719 0.306 -17.796 1.00 0.00 O ATOM 0 H TYR A 218 6.870 -3.927 -21.600 1.00 0.00 H new ATOM 0 HA TYR A 218 4.221 -5.132 -21.049 1.00 0.00 H new ATOM 0 HB2 TYR A 218 4.963 -2.828 -22.894 1.00 0.00 H new ATOM 0 HB3 TYR A 218 3.346 -3.442 -22.610 1.00 0.00 H new ATOM 0 HD1 TYR A 218 2.236 -3.064 -20.405 1.00 0.00 H new ATOM 0 HD2 TYR A 218 6.042 -1.362 -21.286 1.00 0.00 H new ATOM 0 HE1 TYR A 218 1.974 -1.509 -18.523 1.00 0.00 H new ATOM 0 HE2 TYR A 218 5.785 0.192 -19.403 1.00 0.00 H new ATOM 0 HH TYR A 218 4.510 0.881 -17.735 1.00 0.00 H new