USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 617 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 183 ASN : amide:sc= -2.75! C(o=-3.3!,f=-7.1!) USER MOD Set 1.2: B 2 THR OG1 : rot -160:sc= -0.588 USER MOD Set 2.1: A 155 GLN : amide:sc= 1.5 K(o=1.4,f=-4.3!) USER MOD Set 2.2: A 195 ASN : amide:sc= -0.306 X(o=1.4,f=1.3) USER MOD Set 2.3: A 198 CYS SG : rot 140:sc= 0.219 USER MOD Single : A 158 LYS NZ :NH3+ -166:sc= -0.0227 (180deg=-0.235) USER MOD Single : A 164 TYR OH : rot -80:sc= 0.0835 USER MOD Single : A 169 TYR OH : rot 165:sc= 0.00681 USER MOD Single : A 170 LYS NZ :NH3+ -143:sc= 1.3 (180deg=1.1) USER MOD Single : A 171 THR OG1 : rot 101:sc= 1.26 USER MOD Single : A 176 GLN : amide:sc= -0.209 K(o=-0.21,f=-0.77) USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : A 179 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.53) USER MOD Single : A 182 LYS NZ :NH3+ -164:sc= 1.6 (180deg=1.43) USER MOD Single : A 186 THR OG1 : rot 77:sc= 0.0418 USER MOD Single : A 188 THR OG1 : rot -82:sc= 0.623 USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 193 ASN : amide:sc= 0.553 K(o=0.55,f=-1.7) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 THR OG1 : rot 64:sc= 1.23 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot 180:sc= -0.674 USER MOD Single : A 214 MET CE :methyl -115:sc= -3.78 (180deg=-4.94!) USER MOD Single : A 215 MET CE :methyl 174:sc= -1.39 (180deg=-1.43) USER MOD Single : A 216 THR OG1 : rot 83:sc= 0.147 USER MOD Single : A 218 CYS SG : rot 78:sc= 0.894 USER MOD Single : B 9 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N ILE A 150 9.291 9.440 4.756 1.00 0.00 N ATOM 171 CA ILE A 150 8.538 8.228 4.452 1.00 0.00 C ATOM 172 C ILE A 150 9.419 7.189 3.746 1.00 0.00 C ATOM 173 O ILE A 150 9.127 5.993 3.762 1.00 0.00 O ATOM 174 CB ILE A 150 7.300 8.555 3.578 1.00 0.00 C ATOM 175 CG1 ILE A 150 6.359 7.353 3.498 1.00 0.00 C ATOM 176 CG2 ILE A 150 7.715 8.998 2.182 1.00 0.00 C ATOM 177 CD1 ILE A 150 5.778 6.960 4.836 1.00 0.00 C ATOM 0 HA ILE A 150 8.200 7.805 5.398 1.00 0.00 H new ATOM 0 HB ILE A 150 6.768 9.380 4.052 1.00 0.00 H new ATOM 0 HG12 ILE A 150 5.546 7.582 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 150 6.900 6.504 3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 150 6.826 9.221 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 150 8.336 9.891 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 150 8.280 8.200 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 150 5.119 6.101 4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 150 6.585 6.700 5.521 1.00 0.00 H new ATOM 0 HD13 ILE A 150 5.210 7.795 5.245 1.00 0.00 H new ATOM 189 N LEU A 151 10.515 7.657 3.156 1.00 0.00 N ATOM 190 CA LEU A 151 11.426 6.796 2.402 1.00 0.00 C ATOM 191 C LEU A 151 12.049 5.707 3.279 1.00 0.00 C ATOM 192 O LEU A 151 12.400 4.629 2.789 1.00 0.00 O ATOM 193 CB LEU A 151 12.535 7.636 1.769 1.00 0.00 C ATOM 194 CG LEU A 151 12.057 8.717 0.797 1.00 0.00 C ATOM 195 CD1 LEU A 151 13.223 9.580 0.346 1.00 0.00 C ATOM 196 CD2 LEU A 151 11.360 8.091 -0.404 1.00 0.00 C ATOM 0 H LEU A 151 10.797 8.637 3.185 1.00 0.00 H new ATOM 0 HA LEU A 151 10.839 6.305 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 151 13.108 8.112 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 151 13.217 6.970 1.240 1.00 0.00 H new ATOM 0 HG LEU A 151 11.339 9.351 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 151 12.865 10.343 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 151 13.677 10.060 1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 151 13.965 8.957 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 151 11.028 8.877 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 151 12.054 7.432 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 151 10.498 7.516 -0.066 1.00 0.00 H new ATOM 208 N ASP A 152 12.183 5.982 4.570 1.00 0.00 N ATOM 209 CA ASP A 152 12.812 5.034 5.483 1.00 0.00 C ATOM 210 C ASP A 152 11.780 4.209 6.235 1.00 0.00 C ATOM 211 O ASP A 152 12.124 3.417 7.114 1.00 0.00 O ATOM 212 CB ASP A 152 13.737 5.751 6.466 1.00 0.00 C ATOM 213 CG ASP A 152 15.065 6.114 5.837 1.00 0.00 C ATOM 214 OD1 ASP A 152 15.306 7.311 5.581 1.00 0.00 O ATOM 215 OD2 ASP A 152 15.874 5.194 5.581 1.00 0.00 O ATOM 0 H ASP A 152 11.867 6.848 5.007 1.00 0.00 H new ATOM 0 HA ASP A 152 13.409 4.352 4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 152 13.249 6.656 6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 152 13.909 5.113 7.333 1.00 0.00 H new ATOM 221 N ILE A 153 10.514 4.387 5.890 1.00 0.00 N ATOM 222 CA ILE A 153 9.459 3.555 6.449 1.00 0.00 C ATOM 223 C ILE A 153 9.394 2.244 5.675 1.00 0.00 C ATOM 224 O ILE A 153 8.909 2.198 4.544 1.00 0.00 O ATOM 225 CB ILE A 153 8.084 4.255 6.411 1.00 0.00 C ATOM 226 CG1 ILE A 153 8.136 5.581 7.181 1.00 0.00 C ATOM 227 CG2 ILE A 153 7.010 3.344 6.989 1.00 0.00 C ATOM 228 CD1 ILE A 153 8.472 5.431 8.652 1.00 0.00 C ATOM 0 H ILE A 153 10.193 5.095 5.230 1.00 0.00 H new ATOM 0 HA ILE A 153 9.697 3.367 7.496 1.00 0.00 H new ATOM 0 HB ILE A 153 7.833 4.470 5.372 1.00 0.00 H new ATOM 0 HG12 ILE A 153 8.877 6.231 6.715 1.00 0.00 H new ATOM 0 HG13 ILE A 153 7.171 6.080 7.089 1.00 0.00 H new ATOM 0 HG21 ILE A 153 6.046 3.851 6.955 1.00 0.00 H new ATOM 0 HG22 ILE A 153 6.958 2.426 6.403 1.00 0.00 H new ATOM 0 HG23 ILE A 153 7.256 3.101 8.023 1.00 0.00 H new ATOM 0 HD11 ILE A 153 8.489 6.414 9.123 1.00 0.00 H new ATOM 0 HD12 ILE A 153 7.719 4.809 9.136 1.00 0.00 H new ATOM 0 HD13 ILE A 153 9.450 4.962 8.756 1.00 0.00 H new ATOM 240 N ARG A 154 9.913 1.184 6.276 1.00 0.00 N ATOM 241 CA ARG A 154 10.059 -0.092 5.589 1.00 0.00 C ATOM 242 C ARG A 154 9.559 -1.235 6.470 1.00 0.00 C ATOM 243 O ARG A 154 9.503 -1.105 7.691 1.00 0.00 O ATOM 244 CB ARG A 154 11.529 -0.280 5.195 1.00 0.00 C ATOM 245 CG ARG A 154 12.031 0.845 4.299 1.00 0.00 C ATOM 246 CD ARG A 154 13.541 0.867 4.158 1.00 0.00 C ATOM 247 NE ARG A 154 13.986 2.059 3.433 1.00 0.00 N ATOM 248 CZ ARG A 154 15.254 2.324 3.123 1.00 0.00 C ATOM 249 NH1 ARG A 154 16.216 1.462 3.430 1.00 0.00 N ATOM 250 NH2 ARG A 154 15.554 3.457 2.497 1.00 0.00 N ATOM 0 H ARG A 154 10.241 1.182 7.242 1.00 0.00 H new ATOM 0 HA ARG A 154 9.452 -0.098 4.684 1.00 0.00 H new ATOM 0 HB2 ARG A 154 12.142 -0.327 6.095 1.00 0.00 H new ATOM 0 HB3 ARG A 154 11.647 -1.233 4.680 1.00 0.00 H new ATOM 0 HG2 ARG A 154 11.582 0.742 3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 154 11.696 1.800 4.704 1.00 0.00 H new ATOM 0 HD2 ARG A 154 14.002 0.845 5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 154 13.873 -0.028 3.631 1.00 0.00 H new ATOM 0 HE ARG A 154 13.276 2.733 3.146 1.00 0.00 H new ATOM 0 HH11 ARG A 154 15.986 0.590 3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 154 17.185 1.672 3.189 1.00 0.00 H new ATOM 0 HH21 ARG A 154 14.815 4.118 2.257 1.00 0.00 H new ATOM 0 HH22 ARG A 154 16.523 3.666 2.257 1.00 0.00 H new ATOM 264 N GLN A 155 9.174 -2.334 5.837 1.00 0.00 N ATOM 265 CA GLN A 155 8.548 -3.453 6.537 1.00 0.00 C ATOM 266 C GLN A 155 9.588 -4.443 7.052 1.00 0.00 C ATOM 267 O GLN A 155 10.590 -4.707 6.389 1.00 0.00 O ATOM 268 CB GLN A 155 7.585 -4.174 5.590 1.00 0.00 C ATOM 269 CG GLN A 155 6.951 -5.418 6.191 1.00 0.00 C ATOM 270 CD GLN A 155 6.429 -6.372 5.140 1.00 0.00 C ATOM 271 OE1 GLN A 155 6.932 -6.406 4.013 1.00 0.00 O ATOM 272 NE2 GLN A 155 5.457 -7.183 5.510 1.00 0.00 N ATOM 0 H GLN A 155 9.284 -2.477 4.833 1.00 0.00 H new ATOM 0 HA GLN A 155 8.005 -3.054 7.394 1.00 0.00 H new ATOM 0 HB2 GLN A 155 6.796 -3.483 5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 155 8.122 -4.453 4.684 1.00 0.00 H new ATOM 0 HG2 GLN A 155 7.686 -5.933 6.810 1.00 0.00 H new ATOM 0 HG3 GLN A 155 6.132 -5.123 6.847 1.00 0.00 H new ATOM 0 HE21 GLN A 155 5.071 -7.120 6.452 1.00 0.00 H new ATOM 0 HE22 GLN A 155 5.092 -7.873 4.854 1.00 0.00 H new ATOM 281 N GLY A 156 9.339 -4.990 8.239 1.00 0.00 N ATOM 282 CA GLY A 156 10.183 -6.048 8.768 1.00 0.00 C ATOM 283 C GLY A 156 9.857 -7.390 8.132 1.00 0.00 C ATOM 284 O GLY A 156 8.725 -7.605 7.702 1.00 0.00 O ATOM 0 H GLY A 156 8.565 -4.718 8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 156 11.230 -5.804 8.589 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.052 -6.114 9.848 1.00 0.00 H new ATOM 288 N PRO A 157 10.826 -8.320 8.075 1.00 0.00 N ATOM 289 CA PRO A 157 10.671 -9.604 7.375 1.00 0.00 C ATOM 290 C PRO A 157 9.488 -10.426 7.884 1.00 0.00 C ATOM 291 O PRO A 157 8.826 -11.121 7.110 1.00 0.00 O ATOM 292 CB PRO A 157 11.990 -10.336 7.645 1.00 0.00 C ATOM 293 CG PRO A 157 12.618 -9.615 8.790 1.00 0.00 C ATOM 294 CD PRO A 157 12.145 -8.194 8.698 1.00 0.00 C ATOM 0 HA PRO A 157 10.465 -9.451 6.316 1.00 0.00 H new ATOM 0 HB2 PRO A 157 11.815 -11.384 7.889 1.00 0.00 H new ATOM 0 HB3 PRO A 157 12.636 -10.317 6.767 1.00 0.00 H new ATOM 0 HG2 PRO A 157 12.325 -10.062 9.740 1.00 0.00 H new ATOM 0 HG3 PRO A 157 13.705 -9.668 8.735 1.00 0.00 H new ATOM 0 HD2 PRO A 157 12.083 -7.726 9.680 1.00 0.00 H new ATOM 0 HD3 PRO A 157 12.818 -7.584 8.096 1.00 0.00 H new ATOM 302 N LYS A 158 9.230 -10.356 9.183 1.00 0.00 N ATOM 303 CA LYS A 158 8.101 -11.066 9.773 1.00 0.00 C ATOM 304 C LYS A 158 7.122 -10.080 10.398 1.00 0.00 C ATOM 305 O LYS A 158 6.351 -10.433 11.292 1.00 0.00 O ATOM 306 CB LYS A 158 8.590 -12.064 10.827 1.00 0.00 C ATOM 307 CG LYS A 158 9.451 -13.180 10.262 1.00 0.00 C ATOM 308 CD LYS A 158 10.011 -14.053 11.370 1.00 0.00 C ATOM 309 CE LYS A 158 10.785 -15.240 10.818 1.00 0.00 C ATOM 310 NZ LYS A 158 9.911 -16.162 10.048 1.00 0.00 N ATOM 0 H LYS A 158 9.785 -9.817 9.848 1.00 0.00 H new ATOM 0 HA LYS A 158 7.588 -11.615 8.983 1.00 0.00 H new ATOM 0 HB2 LYS A 158 9.160 -11.527 11.586 1.00 0.00 H new ATOM 0 HB3 LYS A 158 7.726 -12.502 11.327 1.00 0.00 H new ATOM 0 HG2 LYS A 158 8.859 -13.789 9.579 1.00 0.00 H new ATOM 0 HG3 LYS A 158 10.269 -12.754 9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 158 10.665 -13.457 12.007 1.00 0.00 H new ATOM 0 HD3 LYS A 158 9.195 -14.411 11.998 1.00 0.00 H new ATOM 0 HE2 LYS A 158 11.590 -14.882 10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 158 11.251 -15.783 11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 10.408 -17.062 9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 9.036 -16.337 10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 9.677 -15.733 9.130 1.00 0.00 H new ATOM 324 N GLU A 159 7.162 -8.841 9.929 1.00 0.00 N ATOM 325 CA GLU A 159 6.296 -7.800 10.457 1.00 0.00 C ATOM 326 C GLU A 159 5.012 -7.687 9.636 1.00 0.00 C ATOM 327 O GLU A 159 5.052 -7.505 8.416 1.00 0.00 O ATOM 328 CB GLU A 159 7.041 -6.468 10.480 1.00 0.00 C ATOM 329 CG GLU A 159 6.203 -5.307 10.976 1.00 0.00 C ATOM 330 CD GLU A 159 7.031 -4.074 11.243 1.00 0.00 C ATOM 331 OE1 GLU A 159 7.641 -3.537 10.294 1.00 0.00 O ATOM 332 OE2 GLU A 159 7.066 -3.627 12.407 1.00 0.00 O ATOM 0 H GLU A 159 7.786 -8.533 9.183 1.00 0.00 H new ATOM 0 HA GLU A 159 6.015 -8.065 11.476 1.00 0.00 H new ATOM 0 HB2 GLU A 159 7.922 -6.566 11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 159 7.397 -6.244 9.474 1.00 0.00 H new ATOM 0 HG2 GLU A 159 5.436 -5.074 10.237 1.00 0.00 H new ATOM 0 HG3 GLU A 159 5.686 -5.600 11.890 1.00 0.00 H new ATOM 340 N PRO A 160 3.851 -7.816 10.306 1.00 0.00 N ATOM 341 CA PRO A 160 2.536 -7.696 9.672 1.00 0.00 C ATOM 342 C PRO A 160 2.374 -6.390 8.901 1.00 0.00 C ATOM 343 O PRO A 160 2.777 -5.318 9.361 1.00 0.00 O ATOM 344 CB PRO A 160 1.547 -7.740 10.846 1.00 0.00 C ATOM 345 CG PRO A 160 2.373 -7.583 12.077 1.00 0.00 C ATOM 346 CD PRO A 160 3.735 -8.106 11.739 1.00 0.00 C ATOM 0 HA PRO A 160 2.380 -8.487 8.938 1.00 0.00 H new ATOM 0 HB2 PRO A 160 0.809 -6.942 10.766 1.00 0.00 H new ATOM 0 HB3 PRO A 160 0.998 -8.682 10.860 1.00 0.00 H new ATOM 0 HG2 PRO A 160 2.422 -6.537 12.381 1.00 0.00 H new ATOM 0 HG3 PRO A 160 1.939 -8.137 12.909 1.00 0.00 H new ATOM 0 HD2 PRO A 160 4.514 -7.608 12.316 1.00 0.00 H new ATOM 0 HD3 PRO A 160 3.820 -9.173 11.943 1.00 0.00 H new ATOM 354 N PHE A 161 1.760 -6.504 7.730 1.00 0.00 N ATOM 355 CA PHE A 161 1.612 -5.385 6.806 1.00 0.00 C ATOM 356 C PHE A 161 0.789 -4.252 7.423 1.00 0.00 C ATOM 357 O PHE A 161 0.975 -3.089 7.077 1.00 0.00 O ATOM 358 CB PHE A 161 0.962 -5.879 5.509 1.00 0.00 C ATOM 359 CG PHE A 161 1.004 -4.890 4.381 1.00 0.00 C ATOM 360 CD1 PHE A 161 2.137 -4.763 3.594 1.00 0.00 C ATOM 361 CD2 PHE A 161 -0.095 -4.099 4.097 1.00 0.00 C ATOM 362 CE1 PHE A 161 2.172 -3.863 2.545 1.00 0.00 C ATOM 363 CE2 PHE A 161 -0.067 -3.198 3.054 1.00 0.00 C ATOM 364 CZ PHE A 161 1.066 -3.080 2.276 1.00 0.00 C ATOM 0 H PHE A 161 1.350 -7.375 7.393 1.00 0.00 H new ATOM 0 HA PHE A 161 2.601 -4.984 6.587 1.00 0.00 H new ATOM 0 HB2 PHE A 161 1.461 -6.795 5.192 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.077 -6.136 5.712 1.00 0.00 H new ATOM 0 HD1 PHE A 161 3.003 -5.374 3.802 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -0.986 -4.189 4.700 1.00 0.00 H new ATOM 0 HE1 PHE A 161 3.061 -3.772 1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -0.932 -2.585 2.846 1.00 0.00 H new ATOM 0 HZ PHE A 161 1.088 -2.376 1.457 1.00 0.00 H new ATOM 374 N ARG A 162 -0.110 -4.595 8.343 1.00 0.00 N ATOM 375 CA ARG A 162 -0.936 -3.593 9.016 1.00 0.00 C ATOM 376 C ARG A 162 -0.074 -2.641 9.845 1.00 0.00 C ATOM 377 O ARG A 162 -0.276 -1.428 9.820 1.00 0.00 O ATOM 378 CB ARG A 162 -1.976 -4.263 9.918 1.00 0.00 C ATOM 379 CG ARG A 162 -1.361 -5.092 11.033 1.00 0.00 C ATOM 380 CD ARG A 162 -2.393 -5.528 12.049 1.00 0.00 C ATOM 381 NE ARG A 162 -1.768 -6.169 13.201 1.00 0.00 N ATOM 382 CZ ARG A 162 -2.340 -7.128 13.922 1.00 0.00 C ATOM 383 NH1 ARG A 162 -3.544 -7.582 13.593 1.00 0.00 N ATOM 384 NH2 ARG A 162 -1.703 -7.641 14.968 1.00 0.00 N ATOM 0 H ARG A 162 -0.285 -5.555 8.639 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.452 -3.019 8.246 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.615 -3.496 10.355 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -2.616 -4.903 9.310 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -0.878 -5.971 10.607 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -0.585 -4.511 11.531 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -2.968 -4.663 12.380 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -3.095 -6.219 11.583 1.00 0.00 H new ATOM 0 HE ARG A 162 -0.833 -5.862 13.470 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.032 -7.195 12.785 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -3.981 -8.318 14.148 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -0.775 -7.299 15.218 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -2.142 -8.377 15.522 1.00 0.00 H new ATOM 398 N ASP A 163 0.896 -3.201 10.564 1.00 0.00 N ATOM 399 CA ASP A 163 1.760 -2.408 11.431 1.00 0.00 C ATOM 400 C ASP A 163 2.672 -1.528 10.595 1.00 0.00 C ATOM 401 O ASP A 163 3.034 -0.421 10.997 1.00 0.00 O ATOM 402 CB ASP A 163 2.586 -3.317 12.349 1.00 0.00 C ATOM 403 CG ASP A 163 1.752 -3.965 13.440 1.00 0.00 C ATOM 404 OD1 ASP A 163 1.769 -3.462 14.581 1.00 0.00 O ATOM 405 OD2 ASP A 163 1.072 -4.977 13.165 1.00 0.00 O ATOM 0 H ASP A 163 1.102 -4.200 10.563 1.00 0.00 H new ATOM 0 HA ASP A 163 1.134 -1.771 12.056 1.00 0.00 H new ATOM 0 HB2 ASP A 163 3.061 -4.095 11.751 1.00 0.00 H new ATOM 0 HB3 ASP A 163 3.385 -2.734 12.807 1.00 0.00 H new ATOM 411 N TYR A 164 3.020 -2.026 9.419 1.00 0.00 N ATOM 412 CA TYR A 164 3.811 -1.267 8.469 1.00 0.00 C ATOM 413 C TYR A 164 2.990 -0.101 7.920 1.00 0.00 C ATOM 414 O TYR A 164 3.465 1.034 7.866 1.00 0.00 O ATOM 415 CB TYR A 164 4.285 -2.183 7.336 1.00 0.00 C ATOM 416 CG TYR A 164 4.852 -1.442 6.148 1.00 0.00 C ATOM 417 CD1 TYR A 164 5.965 -0.622 6.276 1.00 0.00 C ATOM 418 CD2 TYR A 164 4.263 -1.559 4.896 1.00 0.00 C ATOM 419 CE1 TYR A 164 6.472 0.063 5.191 1.00 0.00 C ATOM 420 CE2 TYR A 164 4.764 -0.876 3.808 1.00 0.00 C ATOM 421 CZ TYR A 164 5.868 -0.069 3.960 1.00 0.00 C ATOM 422 OH TYR A 164 6.365 0.617 2.879 1.00 0.00 O ATOM 0 H TYR A 164 2.764 -2.960 9.100 1.00 0.00 H new ATOM 0 HA TYR A 164 4.688 -0.861 8.973 1.00 0.00 H new ATOM 0 HB2 TYR A 164 5.044 -2.862 7.724 1.00 0.00 H new ATOM 0 HB3 TYR A 164 3.448 -2.797 7.004 1.00 0.00 H new ATOM 0 HD1 TYR A 164 6.441 -0.519 7.240 1.00 0.00 H new ATOM 0 HD2 TYR A 164 3.399 -2.195 4.772 1.00 0.00 H new ATOM 0 HE1 TYR A 164 7.337 0.699 5.306 1.00 0.00 H new ATOM 0 HE2 TYR A 164 4.292 -0.974 2.841 1.00 0.00 H new ATOM 0 HH TYR A 164 6.046 1.543 2.904 1.00 0.00 H new ATOM 432 N VAL A 165 1.749 -0.387 7.537 1.00 0.00 N ATOM 433 CA VAL A 165 0.853 0.631 6.999 1.00 0.00 C ATOM 434 C VAL A 165 0.545 1.714 8.023 1.00 0.00 C ATOM 435 O VAL A 165 0.492 2.891 7.676 1.00 0.00 O ATOM 436 CB VAL A 165 -0.462 0.007 6.474 1.00 0.00 C ATOM 437 CG1 VAL A 165 -1.626 0.989 6.543 1.00 0.00 C ATOM 438 CG2 VAL A 165 -0.270 -0.455 5.045 1.00 0.00 C ATOM 0 H VAL A 165 1.340 -1.320 7.590 1.00 0.00 H new ATOM 0 HA VAL A 165 1.375 1.095 6.162 1.00 0.00 H new ATOM 0 HB VAL A 165 -0.706 -0.842 7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -2.529 0.510 6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -1.783 1.295 7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -1.399 1.866 5.936 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -1.197 -0.894 4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 165 0.001 0.396 4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 165 0.525 -1.200 5.007 1.00 0.00 H new ATOM 448 N ASP A 166 0.347 1.324 9.280 1.00 0.00 N ATOM 449 CA ASP A 166 0.011 2.287 10.327 1.00 0.00 C ATOM 450 C ASP A 166 1.044 3.403 10.390 1.00 0.00 C ATOM 451 O ASP A 166 0.694 4.582 10.348 1.00 0.00 O ATOM 452 CB ASP A 166 -0.089 1.604 11.693 1.00 0.00 C ATOM 453 CG ASP A 166 -0.378 2.595 12.809 1.00 0.00 C ATOM 454 OD1 ASP A 166 -1.560 2.926 13.026 1.00 0.00 O ATOM 455 OD2 ASP A 166 0.576 3.045 13.477 1.00 0.00 O ATOM 0 H ASP A 166 0.412 0.357 9.597 1.00 0.00 H new ATOM 0 HA ASP A 166 -0.960 2.715 10.077 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -0.877 0.851 11.664 1.00 0.00 H new ATOM 0 HB3 ASP A 166 0.844 1.081 11.906 1.00 0.00 H new ATOM 461 N ARG A 167 2.316 3.030 10.428 1.00 0.00 N ATOM 462 CA ARG A 167 3.379 4.015 10.539 1.00 0.00 C ATOM 463 C ARG A 167 3.619 4.700 9.197 1.00 0.00 C ATOM 464 O ARG A 167 3.902 5.893 9.152 1.00 0.00 O ATOM 465 CB ARG A 167 4.672 3.384 11.061 1.00 0.00 C ATOM 466 CG ARG A 167 5.377 2.488 10.060 1.00 0.00 C ATOM 467 CD ARG A 167 6.597 1.831 10.670 1.00 0.00 C ATOM 468 NE ARG A 167 6.229 0.888 11.719 1.00 0.00 N ATOM 469 CZ ARG A 167 6.486 -0.412 11.666 1.00 0.00 C ATOM 470 NH1 ARG A 167 7.182 -0.912 10.653 1.00 0.00 N ATOM 471 NH2 ARG A 167 6.069 -1.208 12.636 1.00 0.00 N ATOM 0 H ARG A 167 2.633 2.062 10.384 1.00 0.00 H new ATOM 0 HA ARG A 167 3.061 4.767 11.261 1.00 0.00 H new ATOM 0 HB2 ARG A 167 5.354 4.179 11.363 1.00 0.00 H new ATOM 0 HB3 ARG A 167 4.444 2.802 11.954 1.00 0.00 H new ATOM 0 HG2 ARG A 167 4.687 1.721 9.707 1.00 0.00 H new ATOM 0 HG3 ARG A 167 5.674 3.074 9.191 1.00 0.00 H new ATOM 0 HD2 ARG A 167 7.158 1.312 9.893 1.00 0.00 H new ATOM 0 HD3 ARG A 167 7.256 2.596 11.082 1.00 0.00 H new ATOM 0 HE ARG A 167 5.746 1.249 12.542 1.00 0.00 H new ATOM 0 HH11 ARG A 167 7.520 -0.296 9.914 1.00 0.00 H new ATOM 0 HH12 ARG A 167 7.379 -1.912 10.614 1.00 0.00 H new ATOM 0 HH21 ARG A 167 5.550 -0.822 13.425 1.00 0.00 H new ATOM 0 HH22 ARG A 167 6.266 -2.208 12.596 1.00 0.00 H new ATOM 485 N PHE A 168 3.490 3.946 8.108 1.00 0.00 N ATOM 486 CA PHE A 168 3.650 4.500 6.768 1.00 0.00 C ATOM 487 C PHE A 168 2.630 5.610 6.558 1.00 0.00 C ATOM 488 O PHE A 168 2.980 6.745 6.249 1.00 0.00 O ATOM 489 CB PHE A 168 3.465 3.397 5.716 1.00 0.00 C ATOM 490 CG PHE A 168 3.741 3.831 4.302 1.00 0.00 C ATOM 491 CD1 PHE A 168 2.762 4.460 3.552 1.00 0.00 C ATOM 492 CD2 PHE A 168 4.978 3.599 3.723 1.00 0.00 C ATOM 493 CE1 PHE A 168 3.010 4.852 2.252 1.00 0.00 C ATOM 494 CE2 PHE A 168 5.231 3.986 2.420 1.00 0.00 C ATOM 495 CZ PHE A 168 4.245 4.614 1.685 1.00 0.00 C ATOM 0 H PHE A 168 3.275 2.949 8.128 1.00 0.00 H new ATOM 0 HA PHE A 168 4.654 4.911 6.662 1.00 0.00 H new ATOM 0 HB2 PHE A 168 4.123 2.564 5.962 1.00 0.00 H new ATOM 0 HB3 PHE A 168 2.443 3.024 5.775 1.00 0.00 H new ATOM 0 HD1 PHE A 168 1.792 4.646 3.989 1.00 0.00 H new ATOM 0 HD2 PHE A 168 5.753 3.111 4.295 1.00 0.00 H new ATOM 0 HE1 PHE A 168 2.238 5.345 1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 168 6.198 3.797 1.978 1.00 0.00 H new ATOM 0 HZ PHE A 168 4.440 4.919 0.667 1.00 0.00 H new ATOM 505 N TYR A 169 1.373 5.273 6.776 1.00 0.00 N ATOM 506 CA TYR A 169 0.279 6.207 6.596 1.00 0.00 C ATOM 507 C TYR A 169 0.415 7.420 7.515 1.00 0.00 C ATOM 508 O TYR A 169 0.335 8.554 7.054 1.00 0.00 O ATOM 509 CB TYR A 169 -1.046 5.477 6.830 1.00 0.00 C ATOM 510 CG TYR A 169 -2.233 6.367 7.115 1.00 0.00 C ATOM 511 CD1 TYR A 169 -2.800 7.147 6.118 1.00 0.00 C ATOM 512 CD2 TYR A 169 -2.799 6.407 8.383 1.00 0.00 C ATOM 513 CE1 TYR A 169 -3.894 7.946 6.377 1.00 0.00 C ATOM 514 CE2 TYR A 169 -3.891 7.205 8.651 1.00 0.00 C ATOM 515 CZ TYR A 169 -4.438 7.972 7.645 1.00 0.00 C ATOM 516 OH TYR A 169 -5.528 8.770 7.908 1.00 0.00 O ATOM 0 H TYR A 169 1.082 4.345 7.083 1.00 0.00 H new ATOM 0 HA TYR A 169 0.304 6.587 5.575 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.269 4.873 5.951 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -0.920 4.789 7.666 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -2.378 7.128 5.124 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -2.377 5.803 9.172 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -4.323 8.549 5.591 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -4.315 7.229 9.644 1.00 0.00 H new ATOM 0 HH TYR A 169 -5.931 8.503 8.761 1.00 0.00 H new ATOM 526 N LYS A 170 0.649 7.187 8.803 1.00 0.00 N ATOM 527 CA LYS A 170 0.671 8.280 9.774 1.00 0.00 C ATOM 528 C LYS A 170 1.873 9.205 9.547 1.00 0.00 C ATOM 529 O LYS A 170 1.773 10.413 9.745 1.00 0.00 O ATOM 530 CB LYS A 170 0.655 7.733 11.210 1.00 0.00 C ATOM 531 CG LYS A 170 1.997 7.219 11.715 1.00 0.00 C ATOM 532 CD LYS A 170 1.822 6.129 12.764 1.00 0.00 C ATOM 533 CE LYS A 170 0.834 6.528 13.850 1.00 0.00 C ATOM 534 NZ LYS A 170 0.518 5.392 14.754 1.00 0.00 N ATOM 0 H LYS A 170 0.824 6.263 9.197 1.00 0.00 H new ATOM 0 HA LYS A 170 -0.231 8.875 9.629 1.00 0.00 H new ATOM 0 HB2 LYS A 170 0.309 8.520 11.879 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -0.073 6.923 11.267 1.00 0.00 H new ATOM 0 HG2 LYS A 170 2.576 6.829 10.878 1.00 0.00 H new ATOM 0 HG3 LYS A 170 2.567 8.045 12.140 1.00 0.00 H new ATOM 0 HD2 LYS A 170 1.478 5.214 12.281 1.00 0.00 H new ATOM 0 HD3 LYS A 170 2.788 5.906 13.218 1.00 0.00 H new ATOM 0 HE2 LYS A 170 1.247 7.352 14.432 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -0.084 6.892 13.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -0.485 5.433 15.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 0.708 4.495 14.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 1.110 5.452 15.607 1.00 0.00 H new ATOM 548 N THR A 171 2.997 8.639 9.111 1.00 0.00 N ATOM 549 CA THR A 171 4.177 9.437 8.792 1.00 0.00 C ATOM 550 C THR A 171 3.945 10.218 7.508 1.00 0.00 C ATOM 551 O THR A 171 4.386 11.356 7.362 1.00 0.00 O ATOM 552 CB THR A 171 5.428 8.548 8.621 1.00 0.00 C ATOM 553 OG1 THR A 171 5.614 7.741 9.788 1.00 0.00 O ATOM 554 CG2 THR A 171 6.677 9.384 8.381 1.00 0.00 C ATOM 0 H THR A 171 3.114 7.635 8.971 1.00 0.00 H new ATOM 0 HA THR A 171 4.347 10.123 9.622 1.00 0.00 H new ATOM 0 HB THR A 171 5.269 7.912 7.750 1.00 0.00 H new ATOM 0 HG1 THR A 171 5.280 6.836 9.617 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.538 8.726 8.265 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.549 9.977 7.476 1.00 0.00 H new ATOM 0 HG23 THR A 171 6.839 10.048 9.230 1.00 0.00 H new ATOM 562 N LEU A 172 3.221 9.601 6.587 1.00 0.00 N ATOM 563 CA LEU A 172 2.947 10.200 5.295 1.00 0.00 C ATOM 564 C LEU A 172 1.969 11.369 5.435 1.00 0.00 C ATOM 565 O LEU A 172 1.945 12.272 4.599 1.00 0.00 O ATOM 566 CB LEU A 172 2.397 9.136 4.346 1.00 0.00 C ATOM 567 CG LEU A 172 2.341 9.527 2.875 1.00 0.00 C ATOM 568 CD1 LEU A 172 3.680 10.078 2.413 1.00 0.00 C ATOM 569 CD2 LEU A 172 1.959 8.323 2.039 1.00 0.00 C ATOM 0 H LEU A 172 2.810 8.676 6.715 1.00 0.00 H new ATOM 0 HA LEU A 172 3.875 10.596 4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 172 3.009 8.239 4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 172 1.391 8.871 4.671 1.00 0.00 H new ATOM 0 HG LEU A 172 1.589 10.306 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 172 3.617 10.351 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 172 3.933 10.960 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 172 4.451 9.319 2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 172 1.920 8.608 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 172 2.701 7.536 2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 172 0.981 7.958 2.352 1.00 0.00 H new ATOM 581 N ARG A 173 1.159 11.352 6.492 1.00 0.00 N ATOM 582 CA ARG A 173 0.293 12.489 6.798 1.00 0.00 C ATOM 583 C ARG A 173 1.144 13.666 7.273 1.00 0.00 C ATOM 584 O ARG A 173 0.767 14.827 7.119 1.00 0.00 O ATOM 585 CB ARG A 173 -0.729 12.149 7.884 1.00 0.00 C ATOM 586 CG ARG A 173 -1.389 10.797 7.730 1.00 0.00 C ATOM 587 CD ARG A 173 -2.629 10.688 8.590 1.00 0.00 C ATOM 588 NE ARG A 173 -2.371 11.026 9.991 1.00 0.00 N ATOM 589 CZ ARG A 173 -3.159 10.664 11.002 1.00 0.00 C ATOM 590 NH1 ARG A 173 -4.247 9.938 10.778 1.00 0.00 N ATOM 591 NH2 ARG A 173 -2.867 11.048 12.236 1.00 0.00 N ATOM 0 H ARG A 173 1.084 10.572 7.145 1.00 0.00 H new ATOM 0 HA ARG A 173 -0.247 12.747 5.887 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -0.234 12.188 8.854 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -1.502 12.917 7.889 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -1.654 10.636 6.685 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -0.684 10.013 8.004 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -3.400 11.350 8.196 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -3.020 9.672 8.531 1.00 0.00 H new ATOM 0 HE ARG A 173 -1.537 11.572 10.206 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -4.484 9.654 9.827 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -4.846 9.664 11.556 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -2.040 11.620 12.410 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -3.469 10.772 13.012 1.00 0.00 H new ATOM 605 N ALA A 174 2.295 13.346 7.861 1.00 0.00 N ATOM 606 CA ALA A 174 3.206 14.360 8.375 1.00 0.00 C ATOM 607 C ALA A 174 4.094 14.903 7.264 1.00 0.00 C ATOM 608 O ALA A 174 4.536 16.050 7.321 1.00 0.00 O ATOM 609 CB ALA A 174 4.053 13.791 9.504 1.00 0.00 C ATOM 0 H ALA A 174 2.618 12.387 7.992 1.00 0.00 H new ATOM 0 HA ALA A 174 2.611 15.184 8.769 1.00 0.00 H new ATOM 0 HB1 ALA A 174 4.728 14.562 9.876 1.00 0.00 H new ATOM 0 HB2 ALA A 174 3.404 13.456 10.313 1.00 0.00 H new ATOM 0 HB3 ALA A 174 4.635 12.948 9.133 1.00 0.00 H new ATOM 615 N GLU A 175 4.363 14.062 6.265 1.00 0.00 N ATOM 616 CA GLU A 175 5.096 14.487 5.078 1.00 0.00 C ATOM 617 C GLU A 175 4.429 15.712 4.466 1.00 0.00 C ATOM 618 O GLU A 175 3.246 15.674 4.115 1.00 0.00 O ATOM 619 CB GLU A 175 5.153 13.351 4.052 1.00 0.00 C ATOM 620 CG GLU A 175 6.044 12.187 4.466 1.00 0.00 C ATOM 621 CD GLU A 175 7.520 12.532 4.404 1.00 0.00 C ATOM 622 OE1 GLU A 175 8.270 11.835 3.691 1.00 0.00 O ATOM 623 OE2 GLU A 175 7.931 13.515 5.045 1.00 0.00 O ATOM 0 H GLU A 175 4.083 13.081 6.257 1.00 0.00 H new ATOM 0 HA GLU A 175 6.114 14.745 5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 175 4.143 12.979 3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 175 5.511 13.750 3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 175 5.788 11.881 5.481 1.00 0.00 H new ATOM 0 HG3 GLU A 175 5.846 11.334 3.817 1.00 0.00 H new ATOM 631 N GLN A 176 5.193 16.790 4.331 1.00 0.00 N ATOM 632 CA GLN A 176 4.640 18.081 3.934 1.00 0.00 C ATOM 633 C GLN A 176 4.505 18.222 2.423 1.00 0.00 C ATOM 634 O GLN A 176 4.387 19.335 1.906 1.00 0.00 O ATOM 635 CB GLN A 176 5.484 19.218 4.500 1.00 0.00 C ATOM 636 CG GLN A 176 5.296 19.407 5.994 1.00 0.00 C ATOM 637 CD GLN A 176 3.868 19.772 6.354 1.00 0.00 C ATOM 638 OE1 GLN A 176 3.163 20.429 5.581 1.00 0.00 O ATOM 639 NE2 GLN A 176 3.426 19.340 7.522 1.00 0.00 N ATOM 0 H GLN A 176 6.200 16.796 4.491 1.00 0.00 H new ATOM 0 HA GLN A 176 3.634 18.136 4.350 1.00 0.00 H new ATOM 0 HB2 GLN A 176 6.536 19.020 4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 176 5.227 20.145 3.987 1.00 0.00 H new ATOM 0 HG2 GLN A 176 5.576 18.490 6.512 1.00 0.00 H new ATOM 0 HG3 GLN A 176 5.968 20.189 6.346 1.00 0.00 H new ATOM 0 HE21 GLN A 176 4.040 18.800 8.132 1.00 0.00 H new ATOM 0 HE22 GLN A 176 2.471 19.546 7.814 1.00 0.00 H new ATOM 648 N ALA A 177 4.518 17.104 1.720 1.00 0.00 N ATOM 649 CA ALA A 177 4.202 17.108 0.302 1.00 0.00 C ATOM 650 C ALA A 177 2.692 17.218 0.127 1.00 0.00 C ATOM 651 O ALA A 177 1.937 17.017 1.081 1.00 0.00 O ATOM 652 CB ALA A 177 4.732 15.851 -0.381 1.00 0.00 C ATOM 0 H ALA A 177 4.743 16.186 2.104 1.00 0.00 H new ATOM 0 HA ALA A 177 4.685 17.965 -0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 177 4.482 15.880 -1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 177 5.815 15.803 -0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 177 4.279 14.971 0.075 1.00 0.00 H new ATOM 658 N SER A 178 2.250 17.552 -1.070 1.00 0.00 N ATOM 659 CA SER A 178 0.827 17.641 -1.360 1.00 0.00 C ATOM 660 C SER A 178 0.240 16.241 -1.575 1.00 0.00 C ATOM 661 O SER A 178 0.933 15.239 -1.385 1.00 0.00 O ATOM 662 CB SER A 178 0.612 18.524 -2.584 1.00 0.00 C ATOM 663 OG SER A 178 1.263 19.775 -2.417 1.00 0.00 O ATOM 0 H SER A 178 2.856 17.767 -1.862 1.00 0.00 H new ATOM 0 HA SER A 178 0.310 18.091 -0.513 1.00 0.00 H new ATOM 0 HB2 SER A 178 0.996 18.023 -3.473 1.00 0.00 H new ATOM 0 HB3 SER A 178 -0.455 18.681 -2.743 1.00 0.00 H new ATOM 0 HG SER A 178 1.116 20.329 -3.212 1.00 0.00 H new ATOM 669 N GLN A 179 -1.027 16.160 -1.963 1.00 0.00 N ATOM 670 CA GLN A 179 -1.694 14.867 -2.087 1.00 0.00 C ATOM 671 C GLN A 179 -1.106 14.032 -3.221 1.00 0.00 C ATOM 672 O GLN A 179 -0.592 12.941 -2.987 1.00 0.00 O ATOM 673 CB GLN A 179 -3.201 15.047 -2.310 1.00 0.00 C ATOM 674 CG GLN A 179 -3.984 15.419 -1.057 1.00 0.00 C ATOM 675 CD GLN A 179 -3.610 16.777 -0.492 1.00 0.00 C ATOM 676 OE1 GLN A 179 -2.748 16.890 0.379 1.00 0.00 O ATOM 677 NE2 GLN A 179 -4.245 17.818 -1.000 1.00 0.00 N ATOM 0 H GLN A 179 -1.609 16.965 -2.195 1.00 0.00 H new ATOM 0 HA GLN A 179 -1.530 14.335 -1.150 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -3.354 15.821 -3.062 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -3.609 14.122 -2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -5.049 15.411 -1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -3.817 14.658 -0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -4.953 17.681 -1.721 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -4.027 18.759 -0.671 1.00 0.00 H new ATOM 686 N GLU A 180 -1.143 14.570 -4.434 1.00 0.00 N ATOM 687 CA GLU A 180 -0.778 13.815 -5.632 1.00 0.00 C ATOM 688 C GLU A 180 0.661 13.313 -5.573 1.00 0.00 C ATOM 689 O GLU A 180 0.945 12.177 -5.960 1.00 0.00 O ATOM 690 CB GLU A 180 -0.976 14.660 -6.891 1.00 0.00 C ATOM 691 CG GLU A 180 -2.339 15.330 -6.976 1.00 0.00 C ATOM 692 CD GLU A 180 -2.336 16.739 -6.417 1.00 0.00 C ATOM 693 OE1 GLU A 180 -2.651 17.677 -7.174 1.00 0.00 O ATOM 694 OE2 GLU A 180 -1.995 16.918 -5.229 1.00 0.00 O ATOM 0 H GLU A 180 -1.424 15.533 -4.617 1.00 0.00 H new ATOM 0 HA GLU A 180 -1.439 12.949 -5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -0.202 15.427 -6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -0.838 14.026 -7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -2.661 15.358 -8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -3.069 14.730 -6.432 1.00 0.00 H new ATOM 702 N VAL A 181 1.569 14.157 -5.098 1.00 0.00 N ATOM 703 CA VAL A 181 2.967 13.762 -4.965 1.00 0.00 C ATOM 704 C VAL A 181 3.112 12.595 -3.987 1.00 0.00 C ATOM 705 O VAL A 181 3.814 11.619 -4.267 1.00 0.00 O ATOM 706 CB VAL A 181 3.864 14.937 -4.506 1.00 0.00 C ATOM 707 CG1 VAL A 181 3.309 15.593 -3.269 1.00 0.00 C ATOM 708 CG2 VAL A 181 5.291 14.464 -4.279 1.00 0.00 C ATOM 0 H VAL A 181 1.366 15.111 -4.801 1.00 0.00 H new ATOM 0 HA VAL A 181 3.300 13.449 -5.955 1.00 0.00 H new ATOM 0 HB VAL A 181 3.875 15.684 -5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 181 3.960 16.415 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 181 2.311 15.978 -3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 181 3.254 14.862 -2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 181 5.906 15.304 -3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 181 5.300 13.692 -3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 181 5.691 14.056 -5.207 1.00 0.00 H new ATOM 718 N LYS A 182 2.432 12.688 -2.850 1.00 0.00 N ATOM 719 CA LYS A 182 2.499 11.641 -1.843 1.00 0.00 C ATOM 720 C LYS A 182 1.789 10.377 -2.319 1.00 0.00 C ATOM 721 O LYS A 182 2.238 9.270 -2.032 1.00 0.00 O ATOM 722 CB LYS A 182 1.917 12.119 -0.509 1.00 0.00 C ATOM 723 CG LYS A 182 2.833 13.091 0.217 1.00 0.00 C ATOM 724 CD LYS A 182 2.407 13.321 1.658 1.00 0.00 C ATOM 725 CE LYS A 182 1.161 14.180 1.767 1.00 0.00 C ATOM 726 NZ LYS A 182 0.823 14.480 3.186 1.00 0.00 N ATOM 0 H LYS A 182 1.831 13.475 -2.605 1.00 0.00 H new ATOM 0 HA LYS A 182 3.550 11.401 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 182 0.955 12.598 -0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 182 1.729 11.257 0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 182 3.853 12.707 0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 182 2.841 14.043 -0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 182 2.224 12.359 2.137 1.00 0.00 H new ATOM 0 HD3 LYS A 182 3.222 13.798 2.202 1.00 0.00 H new ATOM 0 HE2 LYS A 182 1.313 15.113 1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 182 0.323 13.668 1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 -0.156 14.826 3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 0.919 13.615 3.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 1.470 15.209 3.550 1.00 0.00 H new ATOM 740 N ASN A 183 0.695 10.545 -3.054 1.00 0.00 N ATOM 741 CA ASN A 183 -0.038 9.403 -3.595 1.00 0.00 C ATOM 742 C ASN A 183 0.851 8.579 -4.511 1.00 0.00 C ATOM 743 O ASN A 183 0.928 7.357 -4.377 1.00 0.00 O ATOM 744 CB ASN A 183 -1.282 9.833 -4.378 1.00 0.00 C ATOM 745 CG ASN A 183 -2.327 10.541 -3.531 1.00 0.00 C ATOM 746 OD1 ASN A 183 -2.421 10.321 -2.329 1.00 0.00 O ATOM 747 ND2 ASN A 183 -3.139 11.374 -4.165 1.00 0.00 N ATOM 0 H ASN A 183 0.297 11.454 -3.289 1.00 0.00 H new ATOM 0 HA ASN A 183 -0.354 8.805 -2.740 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -0.978 10.493 -5.190 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -1.734 8.953 -4.835 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -3.875 11.859 -3.651 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -3.028 11.530 -5.167 1.00 0.00 H new ATOM 754 N ALA A 184 1.535 9.259 -5.429 1.00 0.00 N ATOM 755 CA ALA A 184 2.401 8.587 -6.392 1.00 0.00 C ATOM 756 C ALA A 184 3.552 7.894 -5.681 1.00 0.00 C ATOM 757 O ALA A 184 3.997 6.816 -6.086 1.00 0.00 O ATOM 758 CB ALA A 184 2.923 9.583 -7.416 1.00 0.00 C ATOM 0 H ALA A 184 1.506 10.274 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 184 1.818 7.829 -6.915 1.00 0.00 H new ATOM 0 HB1 ALA A 184 3.568 9.068 -8.128 1.00 0.00 H new ATOM 0 HB2 ALA A 184 2.084 10.034 -7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 184 3.492 10.362 -6.909 1.00 0.00 H new ATOM 764 N ALA A 185 4.020 8.521 -4.612 1.00 0.00 N ATOM 765 CA ALA A 185 5.060 7.943 -3.785 1.00 0.00 C ATOM 766 C ALA A 185 4.542 6.693 -3.084 1.00 0.00 C ATOM 767 O ALA A 185 5.228 5.682 -3.023 1.00 0.00 O ATOM 768 CB ALA A 185 5.555 8.961 -2.768 1.00 0.00 C ATOM 0 H ALA A 185 3.692 9.435 -4.299 1.00 0.00 H new ATOM 0 HA ALA A 185 5.897 7.660 -4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.336 8.512 -2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 185 5.957 9.830 -3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.727 9.272 -2.131 1.00 0.00 H new ATOM 774 N THR A 186 3.314 6.761 -2.587 1.00 0.00 N ATOM 775 CA THR A 186 2.715 5.653 -1.852 1.00 0.00 C ATOM 776 C THR A 186 2.656 4.389 -2.691 1.00 0.00 C ATOM 777 O THR A 186 3.146 3.339 -2.275 1.00 0.00 O ATOM 778 CB THR A 186 1.289 5.994 -1.392 1.00 0.00 C ATOM 779 OG1 THR A 186 1.283 7.215 -0.651 1.00 0.00 O ATOM 780 CG2 THR A 186 0.706 4.874 -0.540 1.00 0.00 C ATOM 0 H THR A 186 2.709 7.577 -2.680 1.00 0.00 H new ATOM 0 HA THR A 186 3.352 5.482 -0.984 1.00 0.00 H new ATOM 0 HB THR A 186 0.671 6.111 -2.282 1.00 0.00 H new ATOM 0 HG1 THR A 186 1.350 7.973 -1.269 1.00 0.00 H new ATOM 0 HG21 THR A 186 -0.304 5.142 -0.228 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.674 3.953 -1.122 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.330 4.725 0.341 1.00 0.00 H new ATOM 788 N GLU A 187 2.074 4.508 -3.879 1.00 0.00 N ATOM 789 CA GLU A 187 1.846 3.361 -4.745 1.00 0.00 C ATOM 790 C GLU A 187 3.147 2.605 -5.027 1.00 0.00 C ATOM 791 O GLU A 187 3.144 1.386 -5.195 1.00 0.00 O ATOM 792 CB GLU A 187 1.218 3.805 -6.063 1.00 0.00 C ATOM 793 CG GLU A 187 -0.044 4.649 -5.915 1.00 0.00 C ATOM 794 CD GLU A 187 -1.105 4.260 -6.923 1.00 0.00 C ATOM 795 OE1 GLU A 187 -1.169 4.884 -8.004 1.00 0.00 O ATOM 796 OE2 GLU A 187 -1.884 3.323 -6.638 1.00 0.00 O ATOM 0 H GLU A 187 1.750 5.395 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 187 1.163 2.689 -4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 187 1.956 4.375 -6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 187 0.980 2.920 -6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 187 -0.442 4.534 -4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 187 0.207 5.702 -6.040 1.00 0.00 H new ATOM 804 N THR A 188 4.253 3.333 -5.061 1.00 0.00 N ATOM 805 CA THR A 188 5.548 2.742 -5.351 1.00 0.00 C ATOM 806 C THR A 188 6.266 2.299 -4.073 1.00 0.00 C ATOM 807 O THR A 188 6.708 1.155 -3.968 1.00 0.00 O ATOM 808 CB THR A 188 6.431 3.735 -6.131 1.00 0.00 C ATOM 809 OG1 THR A 188 6.231 5.063 -5.627 1.00 0.00 O ATOM 810 CG2 THR A 188 6.110 3.703 -7.615 1.00 0.00 C ATOM 0 H THR A 188 4.278 4.338 -4.890 1.00 0.00 H new ATOM 0 HA THR A 188 5.373 1.858 -5.964 1.00 0.00 H new ATOM 0 HB THR A 188 7.472 3.442 -5.996 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.425 5.448 -6.030 1.00 0.00 H new ATOM 0 HG21 THR A 188 6.748 4.413 -8.141 1.00 0.00 H new ATOM 0 HG22 THR A 188 6.286 2.700 -8.004 1.00 0.00 H new ATOM 0 HG23 THR A 188 5.065 3.972 -7.767 1.00 0.00 H new ATOM 818 N LEU A 189 6.351 3.202 -3.100 1.00 0.00 N ATOM 819 CA LEU A 189 7.073 2.946 -1.853 1.00 0.00 C ATOM 820 C LEU A 189 6.472 1.786 -1.074 1.00 0.00 C ATOM 821 O LEU A 189 7.201 0.968 -0.527 1.00 0.00 O ATOM 822 CB LEU A 189 7.072 4.194 -0.973 1.00 0.00 C ATOM 823 CG LEU A 189 7.814 5.399 -1.546 1.00 0.00 C ATOM 824 CD1 LEU A 189 7.497 6.642 -0.729 1.00 0.00 C ATOM 825 CD2 LEU A 189 9.315 5.139 -1.572 1.00 0.00 C ATOM 0 H LEU A 189 5.925 4.127 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 189 8.095 2.682 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 189 6.038 4.482 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 189 7.515 3.940 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 189 7.481 5.562 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 189 8.031 7.497 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 189 6.424 6.834 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 189 7.808 6.488 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 189 9.828 6.008 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 189 9.670 4.955 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 189 9.523 4.268 -2.193 1.00 0.00 H new ATOM 837 N LEU A 190 5.147 1.712 -1.040 1.00 0.00 N ATOM 838 CA LEU A 190 4.455 0.678 -0.275 1.00 0.00 C ATOM 839 C LEU A 190 4.877 -0.709 -0.754 1.00 0.00 C ATOM 840 O LEU A 190 5.063 -1.630 0.040 1.00 0.00 O ATOM 841 CB LEU A 190 2.938 0.839 -0.418 1.00 0.00 C ATOM 842 CG LEU A 190 2.099 0.010 0.553 1.00 0.00 C ATOM 843 CD1 LEU A 190 2.293 0.505 1.976 1.00 0.00 C ATOM 844 CD2 LEU A 190 0.634 0.068 0.168 1.00 0.00 C ATOM 0 H LEU A 190 4.528 2.356 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 190 4.726 0.786 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 190 2.687 1.891 -0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 190 2.655 0.572 -1.436 1.00 0.00 H new ATOM 0 HG LEU A 190 2.430 -1.027 0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 190 1.689 -0.096 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.344 0.418 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 190 1.986 1.549 2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.050 -0.528 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.291 1.102 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 190 0.506 -0.329 -0.839 1.00 0.00 H new ATOM 856 N VAL A 191 5.025 -0.841 -2.065 1.00 0.00 N ATOM 857 CA VAL A 191 5.451 -2.094 -2.668 1.00 0.00 C ATOM 858 C VAL A 191 6.967 -2.271 -2.556 1.00 0.00 C ATOM 859 O VAL A 191 7.454 -3.351 -2.225 1.00 0.00 O ATOM 860 CB VAL A 191 5.032 -2.169 -4.153 1.00 0.00 C ATOM 861 CG1 VAL A 191 5.422 -3.506 -4.761 1.00 0.00 C ATOM 862 CG2 VAL A 191 3.534 -1.933 -4.296 1.00 0.00 C ATOM 0 H VAL A 191 4.855 -0.090 -2.734 1.00 0.00 H new ATOM 0 HA VAL A 191 4.959 -2.899 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 191 5.560 -1.385 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.116 -3.533 -5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 191 6.502 -3.634 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.928 -4.311 -4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 191 3.256 -1.989 -5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 191 2.991 -2.694 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.282 -0.947 -3.906 1.00 0.00 H new ATOM 872 N GLN A 192 7.698 -1.196 -2.819 1.00 0.00 N ATOM 873 CA GLN A 192 9.152 -1.223 -2.853 1.00 0.00 C ATOM 874 C GLN A 192 9.753 -1.460 -1.469 1.00 0.00 C ATOM 875 O GLN A 192 10.698 -2.235 -1.315 1.00 0.00 O ATOM 876 CB GLN A 192 9.660 0.100 -3.419 1.00 0.00 C ATOM 877 CG GLN A 192 11.162 0.147 -3.576 1.00 0.00 C ATOM 878 CD GLN A 192 11.663 1.497 -4.045 1.00 0.00 C ATOM 879 OE1 GLN A 192 10.969 2.223 -4.753 1.00 0.00 O ATOM 880 NE2 GLN A 192 12.877 1.841 -3.654 1.00 0.00 N ATOM 0 H GLN A 192 7.297 -0.279 -3.015 1.00 0.00 H new ATOM 0 HA GLN A 192 9.462 -2.053 -3.488 1.00 0.00 H new ATOM 0 HB2 GLN A 192 9.195 0.274 -4.389 1.00 0.00 H new ATOM 0 HB3 GLN A 192 9.345 0.912 -2.764 1.00 0.00 H new ATOM 0 HG2 GLN A 192 11.630 -0.097 -2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 192 11.472 -0.618 -4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 192 13.421 1.210 -3.066 1.00 0.00 H new ATOM 0 HE22 GLN A 192 13.270 2.738 -3.940 1.00 0.00 H new ATOM 889 N ASN A 193 9.200 -0.786 -0.471 1.00 0.00 N ATOM 890 CA ASN A 193 9.717 -0.852 0.892 1.00 0.00 C ATOM 891 C ASN A 193 9.190 -2.082 1.620 1.00 0.00 C ATOM 892 O ASN A 193 9.487 -2.296 2.800 1.00 0.00 O ATOM 893 CB ASN A 193 9.350 0.423 1.656 1.00 0.00 C ATOM 894 CG ASN A 193 10.216 1.611 1.270 1.00 0.00 C ATOM 895 OD1 ASN A 193 10.808 1.646 0.190 1.00 0.00 O ATOM 896 ND2 ASN A 193 10.274 2.606 2.143 1.00 0.00 N ATOM 0 H ASN A 193 8.386 -0.181 -0.580 1.00 0.00 H new ATOM 0 HA ASN A 193 10.803 -0.934 0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 193 8.304 0.665 1.468 1.00 0.00 H new ATOM 0 HB3 ASN A 193 9.448 0.241 2.726 1.00 0.00 H new ATOM 0 HD21 ASN A 193 10.823 3.439 1.931 1.00 0.00 H new ATOM 0 HD22 ASN A 193 9.769 2.539 3.027 1.00 0.00 H new ATOM 903 N ALA A 194 8.396 -2.874 0.917 1.00 0.00 N ATOM 904 CA ALA A 194 7.939 -4.155 1.428 1.00 0.00 C ATOM 905 C ALA A 194 8.963 -5.236 1.100 1.00 0.00 C ATOM 906 O ALA A 194 9.763 -5.084 0.172 1.00 0.00 O ATOM 907 CB ALA A 194 6.582 -4.507 0.834 1.00 0.00 C ATOM 0 H ALA A 194 8.053 -2.649 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 194 7.832 -4.089 2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 194 6.252 -5.469 1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 194 5.857 -3.738 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 194 6.664 -4.566 -0.251 1.00 0.00 H new ATOM 913 N ASN A 195 8.940 -6.318 1.862 1.00 0.00 N ATOM 914 CA ASN A 195 9.885 -7.414 1.665 1.00 0.00 C ATOM 915 C ASN A 195 9.589 -8.156 0.368 1.00 0.00 C ATOM 916 O ASN A 195 8.430 -8.242 -0.025 1.00 0.00 O ATOM 917 CB ASN A 195 9.832 -8.387 2.845 1.00 0.00 C ATOM 918 CG ASN A 195 10.435 -7.804 4.106 1.00 0.00 C ATOM 919 OD1 ASN A 195 11.622 -7.975 4.377 1.00 0.00 O ATOM 920 ND2 ASN A 195 9.622 -7.112 4.881 1.00 0.00 N ATOM 0 H ASN A 195 8.278 -6.464 2.624 1.00 0.00 H new ATOM 0 HA ASN A 195 10.886 -6.988 1.603 1.00 0.00 H new ATOM 0 HB2 ASN A 195 8.795 -8.664 3.037 1.00 0.00 H new ATOM 0 HB3 ASN A 195 10.363 -9.302 2.582 1.00 0.00 H new ATOM 0 HD21 ASN A 195 9.972 -6.694 5.743 1.00 0.00 H new ATOM 0 HD22 ASN A 195 8.644 -6.995 4.618 1.00 0.00 H new ATOM 927 N PRO A 196 10.615 -8.695 -0.314 1.00 0.00 N ATOM 928 CA PRO A 196 10.457 -9.325 -1.634 1.00 0.00 C ATOM 929 C PRO A 196 9.306 -10.329 -1.673 1.00 0.00 C ATOM 930 O PRO A 196 8.497 -10.333 -2.609 1.00 0.00 O ATOM 931 CB PRO A 196 11.799 -10.036 -1.869 1.00 0.00 C ATOM 932 CG PRO A 196 12.535 -9.958 -0.570 1.00 0.00 C ATOM 933 CD PRO A 196 12.006 -8.748 0.141 1.00 0.00 C ATOM 0 HA PRO A 196 10.215 -8.588 -2.400 1.00 0.00 H new ATOM 0 HB2 PRO A 196 11.645 -11.072 -2.169 1.00 0.00 H new ATOM 0 HB3 PRO A 196 12.363 -9.553 -2.667 1.00 0.00 H new ATOM 0 HG2 PRO A 196 12.374 -10.859 0.023 1.00 0.00 H new ATOM 0 HG3 PRO A 196 13.609 -9.873 -0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 196 12.075 -8.851 1.224 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.556 -7.846 -0.129 1.00 0.00 H new ATOM 941 N ASP A 197 9.222 -11.154 -0.638 1.00 0.00 N ATOM 942 CA ASP A 197 8.173 -12.169 -0.541 1.00 0.00 C ATOM 943 C ASP A 197 6.791 -11.523 -0.450 1.00 0.00 C ATOM 944 O ASP A 197 5.845 -11.967 -1.098 1.00 0.00 O ATOM 945 CB ASP A 197 8.413 -13.072 0.670 1.00 0.00 C ATOM 946 CG ASP A 197 7.309 -14.088 0.859 1.00 0.00 C ATOM 947 OD1 ASP A 197 7.294 -15.100 0.127 1.00 0.00 O ATOM 948 OD2 ASP A 197 6.456 -13.883 1.745 1.00 0.00 O ATOM 0 H ASP A 197 9.869 -11.143 0.151 1.00 0.00 H new ATOM 0 HA ASP A 197 8.208 -12.776 -1.446 1.00 0.00 H new ATOM 0 HB2 ASP A 197 9.364 -13.591 0.550 1.00 0.00 H new ATOM 0 HB3 ASP A 197 8.496 -12.458 1.567 1.00 0.00 H new ATOM 954 N CYS A 198 6.687 -10.461 0.337 1.00 0.00 N ATOM 955 CA CYS A 198 5.429 -9.742 0.480 1.00 0.00 C ATOM 956 C CYS A 198 5.124 -8.956 -0.790 1.00 0.00 C ATOM 957 O CYS A 198 3.972 -8.847 -1.201 1.00 0.00 O ATOM 958 CB CYS A 198 5.490 -8.811 1.688 1.00 0.00 C ATOM 959 SG CYS A 198 5.939 -9.649 3.228 1.00 0.00 S ATOM 0 H CYS A 198 7.457 -10.079 0.885 1.00 0.00 H new ATOM 0 HA CYS A 198 4.627 -10.462 0.640 1.00 0.00 H new ATOM 0 HB2 CYS A 198 6.214 -8.020 1.490 1.00 0.00 H new ATOM 0 HB3 CYS A 198 4.520 -8.331 1.815 1.00 0.00 H new ATOM 0 HG CYS A 198 6.749 -8.896 3.912 1.00 0.00 H new ATOM 965 N LYS A 199 6.173 -8.426 -1.412 1.00 0.00 N ATOM 966 CA LYS A 199 6.051 -7.732 -2.689 1.00 0.00 C ATOM 967 C LYS A 199 5.486 -8.681 -3.739 1.00 0.00 C ATOM 968 O LYS A 199 4.722 -8.279 -4.615 1.00 0.00 O ATOM 969 CB LYS A 199 7.418 -7.205 -3.135 1.00 0.00 C ATOM 970 CG LYS A 199 7.370 -6.369 -4.404 1.00 0.00 C ATOM 971 CD LYS A 199 8.757 -5.932 -4.853 1.00 0.00 C ATOM 972 CE LYS A 199 9.499 -5.175 -3.760 1.00 0.00 C ATOM 973 NZ LYS A 199 10.795 -4.633 -4.244 1.00 0.00 N ATOM 0 H LYS A 199 7.125 -8.465 -1.048 1.00 0.00 H new ATOM 0 HA LYS A 199 5.373 -6.887 -2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 199 7.845 -6.605 -2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 199 8.089 -8.050 -3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 199 6.896 -6.945 -5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 199 6.750 -5.489 -4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 199 9.336 -6.808 -5.144 1.00 0.00 H new ATOM 0 HD3 LYS A 199 8.669 -5.300 -5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 199 8.876 -4.357 -3.398 1.00 0.00 H new ATOM 0 HE3 LYS A 199 9.676 -5.839 -2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 11.269 -4.125 -3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 11.400 -5.415 -4.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 10.624 -3.979 -5.034 1.00 0.00 H new ATOM 987 N THR A 200 5.866 -9.947 -3.632 1.00 0.00 N ATOM 988 CA THR A 200 5.346 -10.984 -4.506 1.00 0.00 C ATOM 989 C THR A 200 3.835 -11.134 -4.317 1.00 0.00 C ATOM 990 O THR A 200 3.087 -11.283 -5.283 1.00 0.00 O ATOM 991 CB THR A 200 6.050 -12.328 -4.230 1.00 0.00 C ATOM 992 OG1 THR A 200 7.471 -12.168 -4.383 1.00 0.00 O ATOM 993 CG2 THR A 200 5.550 -13.417 -5.169 1.00 0.00 C ATOM 0 H THR A 200 6.539 -10.280 -2.941 1.00 0.00 H new ATOM 0 HA THR A 200 5.543 -10.692 -5.538 1.00 0.00 H new ATOM 0 HB THR A 200 5.820 -12.631 -3.208 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.805 -11.543 -3.706 1.00 0.00 H new ATOM 0 HG21 THR A 200 6.065 -14.352 -4.949 1.00 0.00 H new ATOM 0 HG22 THR A 200 4.477 -13.553 -5.030 1.00 0.00 H new ATOM 0 HG23 THR A 200 5.749 -13.127 -6.201 1.00 0.00 H new ATOM 1001 N ILE A 201 3.397 -11.059 -3.066 1.00 0.00 N ATOM 1002 CA ILE A 201 1.983 -11.152 -2.738 1.00 0.00 C ATOM 1003 C ILE A 201 1.246 -9.899 -3.206 1.00 0.00 C ATOM 1004 O ILE A 201 0.110 -9.967 -3.676 1.00 0.00 O ATOM 1005 CB ILE A 201 1.772 -11.337 -1.219 1.00 0.00 C ATOM 1006 CG1 ILE A 201 2.532 -12.573 -0.727 1.00 0.00 C ATOM 1007 CG2 ILE A 201 0.290 -11.458 -0.896 1.00 0.00 C ATOM 1008 CD1 ILE A 201 2.440 -12.794 0.769 1.00 0.00 C ATOM 0 H ILE A 201 4.007 -10.933 -2.258 1.00 0.00 H new ATOM 0 HA ILE A 201 1.580 -12.024 -3.253 1.00 0.00 H new ATOM 0 HB ILE A 201 2.163 -10.459 -0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 201 2.144 -13.454 -1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 201 3.581 -12.478 -1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 201 0.161 -11.588 0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 201 -0.227 -10.554 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 201 -0.127 -12.319 -1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 201 3.003 -13.687 1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 201 2.855 -11.931 1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 201 1.396 -12.923 1.054 1.00 0.00 H new ATOM 1020 N LEU A 202 1.911 -8.757 -3.088 1.00 0.00 N ATOM 1021 CA LEU A 202 1.344 -7.484 -3.524 1.00 0.00 C ATOM 1022 C LEU A 202 1.056 -7.500 -5.023 1.00 0.00 C ATOM 1023 O LEU A 202 0.066 -6.929 -5.484 1.00 0.00 O ATOM 1024 CB LEU A 202 2.303 -6.340 -3.187 1.00 0.00 C ATOM 1025 CG LEU A 202 2.639 -6.196 -1.701 1.00 0.00 C ATOM 1026 CD1 LEU A 202 3.687 -5.119 -1.490 1.00 0.00 C ATOM 1027 CD2 LEU A 202 1.388 -5.884 -0.899 1.00 0.00 C ATOM 0 H LEU A 202 2.848 -8.685 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 202 0.403 -7.330 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 202 3.230 -6.487 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 202 1.867 -5.405 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 202 3.046 -7.144 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.911 -5.033 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.595 -5.384 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 202 3.309 -4.166 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 202 1.647 -5.785 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 202 0.951 -4.951 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.667 -6.692 -1.021 1.00 0.00 H new ATOM 1039 N LYS A 203 1.928 -8.158 -5.779 1.00 0.00 N ATOM 1040 CA LYS A 203 1.735 -8.309 -7.216 1.00 0.00 C ATOM 1041 C LYS A 203 0.610 -9.296 -7.506 1.00 0.00 C ATOM 1042 O LYS A 203 -0.049 -9.213 -8.540 1.00 0.00 O ATOM 1043 CB LYS A 203 3.033 -8.772 -7.887 1.00 0.00 C ATOM 1044 CG LYS A 203 4.149 -7.741 -7.832 1.00 0.00 C ATOM 1045 CD LYS A 203 5.412 -8.235 -8.528 1.00 0.00 C ATOM 1046 CE LYS A 203 5.992 -9.463 -7.844 1.00 0.00 C ATOM 1047 NZ LYS A 203 7.260 -9.914 -8.481 1.00 0.00 N ATOM 0 H LYS A 203 2.776 -8.596 -5.420 1.00 0.00 H new ATOM 0 HA LYS A 203 1.458 -7.338 -7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.373 -9.689 -7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 203 2.826 -9.016 -8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 203 3.813 -6.817 -8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 203 4.376 -7.506 -6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 203 5.185 -8.472 -9.568 1.00 0.00 H new ATOM 0 HD3 LYS A 203 6.156 -7.439 -8.538 1.00 0.00 H new ATOM 0 HE2 LYS A 203 6.175 -9.239 -6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 203 5.263 -10.273 -7.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 7.620 -10.753 -7.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 7.082 -10.153 -9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 7.965 -9.151 -8.428 1.00 0.00 H new ATOM 1061 N ALA A 204 0.390 -10.221 -6.577 1.00 0.00 N ATOM 1062 CA ALA A 204 -0.658 -11.221 -6.722 1.00 0.00 C ATOM 1063 C ALA A 204 -2.042 -10.584 -6.614 1.00 0.00 C ATOM 1064 O ALA A 204 -2.991 -11.036 -7.256 1.00 0.00 O ATOM 1065 CB ALA A 204 -0.493 -12.326 -5.690 1.00 0.00 C ATOM 0 H ALA A 204 0.927 -10.297 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 204 -0.567 -11.662 -7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -1.286 -13.063 -5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 204 0.475 -12.808 -5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 204 -0.549 -11.900 -4.688 1.00 0.00 H new ATOM 1071 N LEU A 205 -2.156 -9.541 -5.796 1.00 0.00 N ATOM 1072 CA LEU A 205 -3.403 -8.787 -5.703 1.00 0.00 C ATOM 1073 C LEU A 205 -3.639 -7.993 -6.975 1.00 0.00 C ATOM 1074 O LEU A 205 -4.701 -8.081 -7.590 1.00 0.00 O ATOM 1075 CB LEU A 205 -3.398 -7.818 -4.515 1.00 0.00 C ATOM 1076 CG LEU A 205 -3.895 -8.368 -3.175 1.00 0.00 C ATOM 1077 CD1 LEU A 205 -5.168 -9.177 -3.349 1.00 0.00 C ATOM 1078 CD2 LEU A 205 -2.825 -9.189 -2.486 1.00 0.00 C ATOM 0 H LEU A 205 -1.407 -9.201 -5.193 1.00 0.00 H new ATOM 0 HA LEU A 205 -4.202 -9.514 -5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 205 -2.380 -7.455 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 205 -4.011 -6.956 -4.777 1.00 0.00 H new ATOM 0 HG LEU A 205 -4.125 -7.514 -2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 205 -5.495 -9.554 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 205 -5.947 -8.543 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 205 -4.977 -10.016 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 205 -3.209 -9.565 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 205 -2.544 -10.028 -3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 205 -1.950 -8.565 -2.301 1.00 0.00 H new ATOM 1090 N GLY A 206 -2.637 -7.221 -7.361 1.00 0.00 N ATOM 1091 CA GLY A 206 -2.766 -6.355 -8.509 1.00 0.00 C ATOM 1092 C GLY A 206 -3.150 -4.943 -8.108 1.00 0.00 C ATOM 1093 O GLY A 206 -3.650 -4.725 -7.005 1.00 0.00 O ATOM 0 H GLY A 206 -1.731 -7.180 -6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -1.824 -6.334 -9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -3.519 -6.758 -9.186 1.00 0.00 H new ATOM 1097 N PRO A 207 -2.931 -3.958 -8.990 1.00 0.00 N ATOM 1098 CA PRO A 207 -3.242 -2.551 -8.708 1.00 0.00 C ATOM 1099 C PRO A 207 -4.740 -2.259 -8.762 1.00 0.00 C ATOM 1100 O PRO A 207 -5.172 -1.127 -8.548 1.00 0.00 O ATOM 1101 CB PRO A 207 -2.514 -1.805 -9.824 1.00 0.00 C ATOM 1102 CG PRO A 207 -2.472 -2.771 -10.956 1.00 0.00 C ATOM 1103 CD PRO A 207 -2.352 -4.136 -10.337 1.00 0.00 C ATOM 0 HA PRO A 207 -2.936 -2.259 -7.704 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -3.042 -0.893 -10.101 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -1.511 -1.512 -9.516 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.373 -2.697 -11.565 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -1.626 -2.565 -11.612 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -2.896 -4.886 -10.911 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -1.314 -4.464 -10.287 1.00 0.00 H new ATOM 1111 N ALA A 208 -5.524 -3.285 -9.063 1.00 0.00 N ATOM 1112 CA ALA A 208 -6.972 -3.145 -9.151 1.00 0.00 C ATOM 1113 C ALA A 208 -7.652 -3.542 -7.842 1.00 0.00 C ATOM 1114 O ALA A 208 -8.877 -3.640 -7.767 1.00 0.00 O ATOM 1115 CB ALA A 208 -7.507 -3.981 -10.301 1.00 0.00 C ATOM 0 H ALA A 208 -5.181 -4.227 -9.251 1.00 0.00 H new ATOM 0 HA ALA A 208 -7.199 -2.095 -9.337 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -8.590 -3.870 -10.359 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -7.057 -3.645 -11.235 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -7.258 -5.029 -10.135 1.00 0.00 H new ATOM 1121 N ALA A 209 -6.853 -3.766 -6.811 1.00 0.00 N ATOM 1122 CA ALA A 209 -7.377 -4.144 -5.506 1.00 0.00 C ATOM 1123 C ALA A 209 -7.301 -2.967 -4.538 1.00 0.00 C ATOM 1124 O ALA A 209 -6.885 -1.870 -4.920 1.00 0.00 O ATOM 1125 CB ALA A 209 -6.609 -5.343 -4.968 1.00 0.00 C ATOM 0 H ALA A 209 -5.836 -3.693 -6.852 1.00 0.00 H new ATOM 0 HA ALA A 209 -8.425 -4.423 -5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 209 -7.006 -5.621 -3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 209 -6.716 -6.182 -5.655 1.00 0.00 H new ATOM 0 HB3 ALA A 209 -5.554 -5.086 -4.871 1.00 0.00 H new ATOM 1131 N THR A 210 -7.717 -3.189 -3.298 1.00 0.00 N ATOM 1132 CA THR A 210 -7.681 -2.147 -2.281 1.00 0.00 C ATOM 1133 C THR A 210 -6.543 -2.396 -1.305 1.00 0.00 C ATOM 1134 O THR A 210 -6.045 -3.521 -1.227 1.00 0.00 O ATOM 1135 CB THR A 210 -9.003 -2.083 -1.489 1.00 0.00 C ATOM 1136 OG1 THR A 210 -9.226 -3.325 -0.803 1.00 0.00 O ATOM 1137 CG2 THR A 210 -10.176 -1.801 -2.410 1.00 0.00 C ATOM 0 H THR A 210 -8.084 -4.083 -2.972 1.00 0.00 H new ATOM 0 HA THR A 210 -7.531 -1.199 -2.798 1.00 0.00 H new ATOM 0 HB THR A 210 -8.923 -1.272 -0.765 1.00 0.00 H new ATOM 0 HG1 THR A 210 -10.066 -3.275 -0.301 1.00 0.00 H new ATOM 0 HG21 THR A 210 -11.096 -1.761 -1.826 1.00 0.00 H new ATOM 0 HG22 THR A 210 -10.023 -0.846 -2.912 1.00 0.00 H new ATOM 0 HG23 THR A 210 -10.253 -2.594 -3.154 1.00 0.00 H new ATOM 1145 N LEU A 211 -6.139 -1.368 -0.565 1.00 0.00 N ATOM 1146 CA LEU A 211 -5.087 -1.510 0.441 1.00 0.00 C ATOM 1147 C LEU A 211 -5.354 -2.713 1.345 1.00 0.00 C ATOM 1148 O LEU A 211 -4.448 -3.495 1.649 1.00 0.00 O ATOM 1149 CB LEU A 211 -5.007 -0.251 1.299 1.00 0.00 C ATOM 1150 CG LEU A 211 -4.021 -0.324 2.466 1.00 0.00 C ATOM 1151 CD1 LEU A 211 -2.589 -0.235 1.966 1.00 0.00 C ATOM 1152 CD2 LEU A 211 -4.320 0.768 3.475 1.00 0.00 C ATOM 0 H LEU A 211 -6.523 -0.426 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 211 -4.143 -1.662 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -4.730 0.588 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.000 -0.036 1.695 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.138 -1.287 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -1.904 -0.289 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.390 -1.062 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.445 0.710 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -3.611 0.705 4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -4.231 1.742 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -5.333 0.643 3.857 1.00 0.00 H new ATOM 1164 N GLU A 212 -6.614 -2.861 1.740 1.00 0.00 N ATOM 1165 CA GLU A 212 -7.029 -3.903 2.667 1.00 0.00 C ATOM 1166 C GLU A 212 -6.693 -5.296 2.129 1.00 0.00 C ATOM 1167 O GLU A 212 -6.409 -6.215 2.902 1.00 0.00 O ATOM 1168 CB GLU A 212 -8.530 -3.780 2.928 1.00 0.00 C ATOM 1169 CG GLU A 212 -9.032 -4.664 4.051 1.00 0.00 C ATOM 1170 CD GLU A 212 -10.518 -4.507 4.283 1.00 0.00 C ATOM 1171 OE1 GLU A 212 -11.305 -5.127 3.538 1.00 0.00 O ATOM 1172 OE2 GLU A 212 -10.906 -3.751 5.198 1.00 0.00 O ATOM 0 H GLU A 212 -7.376 -2.260 1.425 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.483 -3.773 3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -8.764 -2.742 3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -9.069 -4.029 2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -8.811 -5.705 3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -8.496 -4.422 4.969 1.00 0.00 H new ATOM 1180 N GLU A 213 -6.697 -5.443 0.806 1.00 0.00 N ATOM 1181 CA GLU A 213 -6.378 -6.719 0.190 1.00 0.00 C ATOM 1182 C GLU A 213 -4.901 -7.043 0.381 1.00 0.00 C ATOM 1183 O GLU A 213 -4.542 -8.189 0.643 1.00 0.00 O ATOM 1184 CB GLU A 213 -6.736 -6.702 -1.296 1.00 0.00 C ATOM 1185 CG GLU A 213 -8.209 -6.444 -1.569 1.00 0.00 C ATOM 1186 CD GLU A 213 -9.114 -7.492 -0.951 1.00 0.00 C ATOM 1187 OE1 GLU A 213 -9.492 -8.449 -1.655 1.00 0.00 O ATOM 1188 OE2 GLU A 213 -9.464 -7.358 0.239 1.00 0.00 O ATOM 0 H GLU A 213 -6.917 -4.696 0.147 1.00 0.00 H new ATOM 0 HA GLU A 213 -6.969 -7.496 0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -6.144 -5.934 -1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -6.456 -7.658 -1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -8.479 -5.462 -1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -8.375 -6.417 -2.646 1.00 0.00 H new ATOM 1196 N MET A 214 -4.048 -6.024 0.267 1.00 0.00 N ATOM 1197 CA MET A 214 -2.618 -6.197 0.509 1.00 0.00 C ATOM 1198 C MET A 214 -2.369 -6.579 1.957 1.00 0.00 C ATOM 1199 O MET A 214 -1.577 -7.478 2.246 1.00 0.00 O ATOM 1200 CB MET A 214 -1.820 -4.918 0.216 1.00 0.00 C ATOM 1201 CG MET A 214 -1.696 -4.556 -1.253 1.00 0.00 C ATOM 1202 SD MET A 214 -3.102 -3.629 -1.868 1.00 0.00 S ATOM 1203 CE MET A 214 -3.735 -4.791 -3.063 1.00 0.00 C ATOM 0 H MET A 214 -4.322 -5.076 0.010 1.00 0.00 H new ATOM 0 HA MET A 214 -2.285 -6.986 -0.165 1.00 0.00 H new ATOM 0 HB2 MET A 214 -2.291 -4.087 0.740 1.00 0.00 H new ATOM 0 HB3 MET A 214 -0.819 -5.030 0.632 1.00 0.00 H new ATOM 0 HG2 MET A 214 -0.789 -3.970 -1.402 1.00 0.00 H new ATOM 0 HG3 MET A 214 -1.586 -5.469 -1.838 1.00 0.00 H new ATOM 0 HE1 MET A 214 -3.644 -4.369 -4.064 1.00 0.00 H new ATOM 0 HE2 MET A 214 -3.165 -5.718 -3.007 1.00 0.00 H new ATOM 0 HE3 MET A 214 -4.784 -4.997 -2.850 1.00 0.00 H new ATOM 1213 N MET A 215 -3.062 -5.891 2.855 1.00 0.00 N ATOM 1214 CA MET A 215 -2.826 -6.032 4.285 1.00 0.00 C ATOM 1215 C MET A 215 -3.068 -7.460 4.747 1.00 0.00 C ATOM 1216 O MET A 215 -2.185 -8.090 5.320 1.00 0.00 O ATOM 1217 CB MET A 215 -3.731 -5.083 5.072 1.00 0.00 C ATOM 1218 CG MET A 215 -3.647 -3.640 4.606 1.00 0.00 C ATOM 1219 SD MET A 215 -4.686 -2.526 5.569 1.00 0.00 S ATOM 1220 CE MET A 215 -3.835 -2.558 7.143 1.00 0.00 C ATOM 0 H MET A 215 -3.797 -5.225 2.615 1.00 0.00 H new ATOM 0 HA MET A 215 -1.783 -5.778 4.472 1.00 0.00 H new ATOM 0 HB2 MET A 215 -4.763 -5.424 4.988 1.00 0.00 H new ATOM 0 HB3 MET A 215 -3.464 -5.132 6.128 1.00 0.00 H new ATOM 0 HG2 MET A 215 -2.612 -3.305 4.666 1.00 0.00 H new ATOM 0 HG3 MET A 215 -3.940 -3.585 3.557 1.00 0.00 H new ATOM 0 HE1 MET A 215 -4.292 -1.835 7.819 1.00 0.00 H new ATOM 0 HE2 MET A 215 -3.908 -3.556 7.576 1.00 0.00 H new ATOM 0 HE3 MET A 215 -2.786 -2.303 6.995 1.00 0.00 H new ATOM 1230 N THR A 216 -4.247 -7.979 4.456 1.00 0.00 N ATOM 1231 CA THR A 216 -4.635 -9.299 4.929 1.00 0.00 C ATOM 1232 C THR A 216 -3.863 -10.398 4.200 1.00 0.00 C ATOM 1233 O THR A 216 -3.564 -11.449 4.776 1.00 0.00 O ATOM 1234 CB THR A 216 -6.148 -9.511 4.739 1.00 0.00 C ATOM 1235 OG1 THR A 216 -6.855 -8.346 5.187 1.00 0.00 O ATOM 1236 CG2 THR A 216 -6.636 -10.725 5.512 1.00 0.00 C ATOM 0 H THR A 216 -4.955 -7.507 3.893 1.00 0.00 H new ATOM 0 HA THR A 216 -4.393 -9.357 5.990 1.00 0.00 H new ATOM 0 HB THR A 216 -6.337 -9.680 3.679 1.00 0.00 H new ATOM 0 HG1 THR A 216 -6.856 -7.671 4.477 1.00 0.00 H new ATOM 0 HG21 THR A 216 -7.708 -10.848 5.358 1.00 0.00 H new ATOM 0 HG22 THR A 216 -6.114 -11.615 5.159 1.00 0.00 H new ATOM 0 HG23 THR A 216 -6.436 -10.584 6.574 1.00 0.00 H new ATOM 1244 N ALA A 217 -3.528 -10.147 2.941 1.00 0.00 N ATOM 1245 CA ALA A 217 -2.796 -11.115 2.139 1.00 0.00 C ATOM 1246 C ALA A 217 -1.398 -11.344 2.704 1.00 0.00 C ATOM 1247 O ALA A 217 -0.978 -12.482 2.910 1.00 0.00 O ATOM 1248 CB ALA A 217 -2.718 -10.646 0.694 1.00 0.00 C ATOM 0 H ALA A 217 -3.753 -9.279 2.454 1.00 0.00 H new ATOM 0 HA ALA A 217 -3.331 -12.064 2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -2.168 -11.378 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -3.725 -10.538 0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -2.205 -9.685 0.650 1.00 0.00 H new ATOM 1254 N CYS A 218 -0.697 -10.252 2.990 1.00 0.00 N ATOM 1255 CA CYS A 218 0.677 -10.332 3.476 1.00 0.00 C ATOM 1256 C CYS A 218 0.724 -10.810 4.925 1.00 0.00 C ATOM 1257 O CYS A 218 1.768 -11.244 5.410 1.00 0.00 O ATOM 1258 CB CYS A 218 1.363 -8.971 3.349 1.00 0.00 C ATOM 1259 SG CYS A 218 1.288 -8.266 1.689 1.00 0.00 S ATOM 0 H CYS A 218 -1.056 -9.302 2.894 1.00 0.00 H new ATOM 0 HA CYS A 218 1.209 -11.059 2.862 1.00 0.00 H new ATOM 0 HB2 CYS A 218 0.901 -8.275 4.050 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.408 -9.073 3.643 1.00 0.00 H new ATOM 0 HG CYS A 218 0.106 -7.766 1.483 1.00 0.00 H new ATOM 1472 N THR B 2 -2.778 4.360 -3.442 1.00 0.00 N ATOM 1473 CA THR B 2 -2.095 5.609 -3.172 1.00 0.00 C ATOM 1474 C THR B 2 -2.394 6.065 -1.741 1.00 0.00 C ATOM 1475 O THR B 2 -3.108 5.372 -1.017 1.00 0.00 O ATOM 1476 CB THR B 2 -2.497 6.691 -4.205 1.00 0.00 C ATOM 1477 OG1 THR B 2 -3.295 7.709 -3.599 1.00 0.00 O ATOM 1478 CG2 THR B 2 -3.282 6.095 -5.362 1.00 0.00 C ATOM 0 HA THR B 2 -1.020 5.453 -3.266 1.00 0.00 H new ATOM 0 HB THR B 2 -1.569 7.121 -4.581 1.00 0.00 H new ATOM 0 HG1 THR B 2 -3.792 8.191 -4.292 1.00 0.00 H new ATOM 0 HG21 THR B 2 -3.547 6.883 -6.066 1.00 0.00 H new ATOM 0 HG22 THR B 2 -2.672 5.346 -5.868 1.00 0.00 H new ATOM 0 HG23 THR B 2 -4.191 5.627 -4.983 1.00 0.00 H new ATOM 1486 N PHE B 3 -1.838 7.196 -1.317 1.00 0.00 N ATOM 1487 CA PHE B 3 -2.159 7.763 -0.007 1.00 0.00 C ATOM 1488 C PHE B 3 -3.667 8.001 0.086 1.00 0.00 C ATOM 1489 O PHE B 3 -4.261 7.874 1.157 1.00 0.00 O ATOM 1490 CB PHE B 3 -1.376 9.065 0.212 1.00 0.00 C ATOM 1491 CG PHE B 3 -1.507 9.660 1.588 1.00 0.00 C ATOM 1492 CD1 PHE B 3 -1.331 8.882 2.723 1.00 0.00 C ATOM 1493 CD2 PHE B 3 -1.774 11.010 1.743 1.00 0.00 C ATOM 1494 CE1 PHE B 3 -1.418 9.442 3.984 1.00 0.00 C ATOM 1495 CE2 PHE B 3 -1.868 11.573 3.001 1.00 0.00 C ATOM 1496 CZ PHE B 3 -1.689 10.791 4.125 1.00 0.00 C ATOM 0 H PHE B 3 -1.165 7.738 -1.858 1.00 0.00 H new ATOM 0 HA PHE B 3 -1.868 7.064 0.777 1.00 0.00 H new ATOM 0 HB2 PHE B 3 -0.321 8.875 0.013 1.00 0.00 H new ATOM 0 HB3 PHE B 3 -1.711 9.801 -0.519 1.00 0.00 H new ATOM 0 HD1 PHE B 3 -1.124 7.827 2.620 1.00 0.00 H new ATOM 0 HD2 PHE B 3 -1.910 11.630 0.870 1.00 0.00 H new ATOM 0 HE1 PHE B 3 -1.274 8.826 4.859 1.00 0.00 H new ATOM 0 HE2 PHE B 3 -2.082 12.626 3.106 1.00 0.00 H new ATOM 0 HZ PHE B 3 -1.760 11.230 5.109 1.00 0.00 H new ATOM 1526 N ASP B 5 -5.834 6.040 -1.155 1.00 0.00 N ATOM 1527 CA ASP B 5 -6.373 4.721 -0.801 1.00 0.00 C ATOM 1528 C ASP B 5 -6.274 4.535 0.705 1.00 0.00 C ATOM 1529 O ASP B 5 -7.175 3.998 1.347 1.00 0.00 O ATOM 1530 CB ASP B 5 -5.591 3.610 -1.510 1.00 0.00 C ATOM 1531 CG ASP B 5 -6.428 2.373 -1.790 1.00 0.00 C ATOM 1532 OD1 ASP B 5 -6.529 1.490 -0.914 1.00 0.00 O ATOM 1533 OD2 ASP B 5 -6.971 2.273 -2.915 1.00 0.00 O ATOM 0 HA ASP B 5 -7.414 4.665 -1.118 1.00 0.00 H new ATOM 0 HB2 ASP B 5 -5.198 3.995 -2.451 1.00 0.00 H new ATOM 0 HB3 ASP B 5 -4.734 3.330 -0.897 1.00 0.00 H new ATOM 1539 N LEU B 6 -5.165 5.018 1.255 1.00 0.00 N ATOM 1540 CA LEU B 6 -4.914 4.972 2.687 1.00 0.00 C ATOM 1541 C LEU B 6 -5.925 5.816 3.454 1.00 0.00 C ATOM 1542 O LEU B 6 -6.534 5.352 4.420 1.00 0.00 O ATOM 1543 CB LEU B 6 -3.501 5.477 2.989 1.00 0.00 C ATOM 1544 CG LEU B 6 -2.546 4.439 3.567 1.00 0.00 C ATOM 1545 CD1 LEU B 6 -3.200 3.727 4.737 1.00 0.00 C ATOM 1546 CD2 LEU B 6 -2.109 3.450 2.497 1.00 0.00 C ATOM 0 H LEU B 6 -4.415 5.453 0.718 1.00 0.00 H new ATOM 0 HA LEU B 6 -5.013 3.935 3.009 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -3.069 5.870 2.069 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -3.573 6.310 3.689 1.00 0.00 H new ATOM 0 HG LEU B 6 -1.652 4.948 3.929 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -2.511 2.987 5.144 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -3.451 4.453 5.510 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -4.108 3.229 4.398 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -1.428 2.719 2.933 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -2.984 2.937 2.097 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -1.602 3.984 1.693 1.00 0.00 H new ATOM 1558 N LEU B 7 -6.091 7.062 3.026 1.00 0.00 N ATOM 1559 CA LEU B 7 -7.001 7.982 3.692 1.00 0.00 C ATOM 1560 C LEU B 7 -8.432 7.466 3.644 1.00 0.00 C ATOM 1561 O LEU B 7 -9.100 7.415 4.671 1.00 0.00 O ATOM 1562 CB LEU B 7 -6.931 9.383 3.071 1.00 0.00 C ATOM 1563 CG LEU B 7 -5.669 10.186 3.403 1.00 0.00 C ATOM 1564 CD1 LEU B 7 -5.614 11.460 2.575 1.00 0.00 C ATOM 1565 CD2 LEU B 7 -5.625 10.532 4.884 1.00 0.00 C ATOM 0 H LEU B 7 -5.606 7.457 2.220 1.00 0.00 H new ATOM 0 HA LEU B 7 -6.687 8.049 4.734 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -7.005 9.286 1.988 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -7.800 9.952 3.400 1.00 0.00 H new ATOM 0 HG LEU B 7 -4.804 9.569 3.161 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -4.711 12.017 2.824 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -5.602 11.205 1.515 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -6.489 12.072 2.791 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.721 11.102 5.098 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -6.500 11.128 5.145 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -5.623 9.614 5.472 1.00 0.00 H new ATOM 1597 N TYR B 9 -9.441 4.555 3.245 1.00 0.00 N ATOM 1598 CA TYR B 9 -9.533 3.319 4.016 1.00 0.00 C ATOM 1599 C TYR B 9 -9.925 3.628 5.459 1.00 0.00 C ATOM 1600 O TYR B 9 -10.913 3.103 5.970 1.00 0.00 O ATOM 1601 CB TYR B 9 -8.196 2.567 3.967 1.00 0.00 C ATOM 1602 CG TYR B 9 -8.124 1.350 4.868 1.00 0.00 C ATOM 1603 CD1 TYR B 9 -8.844 0.197 4.583 1.00 0.00 C ATOM 1604 CD2 TYR B 9 -7.329 1.360 6.008 1.00 0.00 C ATOM 1605 CE1 TYR B 9 -8.775 -0.909 5.408 1.00 0.00 C ATOM 1606 CE2 TYR B 9 -7.255 0.258 6.837 1.00 0.00 C ATOM 1607 CZ TYR B 9 -7.977 -0.873 6.532 1.00 0.00 C ATOM 1608 OH TYR B 9 -7.904 -1.975 7.355 1.00 0.00 O ATOM 0 HA TYR B 9 -10.303 2.683 3.579 1.00 0.00 H new ATOM 0 HB2 TYR B 9 -8.007 2.254 2.940 1.00 0.00 H new ATOM 0 HB3 TYR B 9 -7.397 3.255 4.243 1.00 0.00 H new ATOM 0 HD1 TYR B 9 -9.468 0.165 3.702 1.00 0.00 H new ATOM 0 HD2 TYR B 9 -6.759 2.245 6.250 1.00 0.00 H new ATOM 0 HE1 TYR B 9 -9.343 -1.797 5.174 1.00 0.00 H new ATOM 0 HE2 TYR B 9 -6.634 0.284 7.720 1.00 0.00 H new ATOM 0 HH TYR B 9 -7.298 -1.786 8.102 1.00 0.00 H new ATOM 1618 N TYR B 10 -9.142 4.482 6.105 1.00 0.00 N ATOM 1619 CA TYR B 10 -9.426 4.896 7.472 1.00 0.00 C ATOM 1620 C TYR B 10 -10.637 5.828 7.524 1.00 0.00 C ATOM 1621 O TYR B 10 -11.608 5.546 8.230 1.00 0.00 O ATOM 1622 CB TYR B 10 -8.192 5.576 8.081 1.00 0.00 C ATOM 1623 CG TYR B 10 -7.052 4.619 8.354 1.00 0.00 C ATOM 1624 CD1 TYR B 10 -7.055 3.826 9.493 1.00 0.00 C ATOM 1625 CD2 TYR B 10 -5.973 4.503 7.478 1.00 0.00 C ATOM 1626 CE1 TYR B 10 -6.025 2.946 9.757 1.00 0.00 C ATOM 1627 CE2 TYR B 10 -4.939 3.625 7.737 1.00 0.00 C ATOM 1628 CZ TYR B 10 -4.970 2.848 8.875 1.00 0.00 C ATOM 1629 OH TYR B 10 -3.939 1.974 9.134 1.00 0.00 O ATOM 0 H TYR B 10 -8.304 4.902 5.703 1.00 0.00 H new ATOM 0 HA TYR B 10 -9.665 4.009 8.059 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -7.846 6.358 7.405 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -8.478 6.064 9.013 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -7.880 3.899 10.187 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -5.946 5.109 6.584 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -6.045 2.338 10.649 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -4.109 3.547 7.050 1.00 0.00 H new ATOM 0 HH TYR B 10 -4.279 1.208 9.643 1.00 0.00 H new