USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 604 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 319 ASN : amide:sc= -2.25! C(o=-4.5!,f=-6.1!) USER MOD Set 1.2: A 320 ASN :FLIP amide:sc= -2.44! F(o=-5.1,f=-4.5!) USER MOD Set 1.3: A 322 THR OG1 : rot -125:sc= 0.194 USER MOD Set 2.1: A 318 HIS : no HD1:sc= 0.136 K(o=1.5,f=-4.8!) USER MOD Set 2.2: B 211 TYR OH : rot 176:sc= 1.32 USER MOD Set 3.1: A 271 HIS :FLIP no HE2:sc= -3.63 F(o=-6.3!,f=-4.4) USER MOD Set 3.2: A 273 GLN :FLIP amide:sc= -0.787 F(o=-10,f=-4.4) USER MOD Set 3.3: A 274 THR OG1 : rot 180:sc=-0.00491 USER MOD Set 4.1: A 262 THR OG1 : rot -159:sc= -1.48! USER MOD Set 4.2: A 266 GLN : amide:sc= -1.63! C(o=-2.6!,f=-7.8!) USER MOD Set 4.3: B 206 SER OG : rot 180:sc= 0.461 USER MOD Single : A 257 TYR OH : rot 180:sc= 0 USER MOD Single : A 259 GLN :FLIP amide:sc= -0.257 F(o=-0.9,f=-0.26) USER MOD Single : A 261 THR OG1 : rot 180:sc= 0 USER MOD Single : A 263 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.19) USER MOD Single : A 264 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 268 TYR OH : rot 180:sc= 0 USER MOD Single : A 272 THR OG1 : rot 180:sc= 0 USER MOD Single : A 277 SER OG : rot 40:sc= 0.108 USER MOD Single : A 278 THR OG1 : rot 180:sc= -0.0173 USER MOD Single : A 280 HIS :FLIP no HD1:sc= -1.01 F(o=-2.8!,f=-1) USER MOD Single : A 290 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 292 ASN :FLIP amide:sc= -0.965 F(o=-2.1!,f=-0.97) USER MOD Single : A 293 CYS SG : rot 140:sc= -0.0122 USER MOD Single : A 307 ASN : amide:sc= -0.504 K(o=-0.5,f=-3!) USER MOD Single : A 308 THR OG1 : rot 163:sc= -3.01! USER MOD Single : A 310 THR OG1 : rot 7:sc= 0.582! USER MOD Single : A 314 TYR OH : rot 180:sc= -0.0021 USER MOD Single : A 323 THR OG1 : rot -173:sc= 0.00549 USER MOD Single : A 324 GLN : amide:sc= -2.48 K(o=-2.5,f=-6.9!) USER MOD Single : A 326 THR OG1 : rot -140:sc= 0 USER MOD Single : A 331 SER OG : rot -80:sc= -0.346 USER MOD Single : B 212 SER OG : rot 43:sc= 0.289 USER MOD ----------------------------------------------------------------- ATOM 141 N GLU A 255 149.923 14.766 -3.798 1.00 0.00 N ATOM 142 CA GLU A 255 149.314 15.952 -3.214 1.00 0.00 C ATOM 143 C GLU A 255 149.532 16.019 -1.705 1.00 0.00 C ATOM 144 O GLU A 255 149.176 15.098 -0.970 1.00 0.00 O ATOM 145 CB GLU A 255 147.814 15.976 -3.517 1.00 0.00 C ATOM 146 CG GLU A 255 147.462 16.688 -4.813 1.00 0.00 C ATOM 147 CD GLU A 255 145.977 16.646 -5.114 1.00 0.00 C ATOM 148 OE1 GLU A 255 145.198 17.248 -4.344 1.00 0.00 O ATOM 149 OE2 GLU A 255 145.591 16.010 -6.117 1.00 0.00 O ATOM 0 HA GLU A 255 149.796 16.821 -3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 255 147.446 14.951 -3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 255 147.294 16.464 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 255 147.788 17.726 -4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 255 148.009 16.229 -5.636 1.00 0.00 H new ATOM 156 N GLY A 256 150.088 17.136 -1.253 1.00 0.00 N ATOM 157 CA GLY A 256 150.313 17.341 0.166 1.00 0.00 C ATOM 158 C GLY A 256 151.635 16.796 0.679 1.00 0.00 C ATOM 159 O GLY A 256 152.067 17.170 1.770 1.00 0.00 O ATOM 0 H GLY A 256 150.389 17.908 -1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 256 150.268 18.409 0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 256 149.501 16.872 0.721 1.00 0.00 H new ATOM 163 N TYR A 257 152.288 15.916 -0.078 1.00 0.00 N ATOM 164 CA TYR A 257 153.553 15.359 0.364 1.00 0.00 C ATOM 165 C TYR A 257 154.715 15.944 -0.415 1.00 0.00 C ATOM 166 O TYR A 257 154.534 16.573 -1.457 1.00 0.00 O ATOM 167 CB TYR A 257 153.530 13.842 0.227 1.00 0.00 C ATOM 168 CG TYR A 257 152.417 13.210 1.019 1.00 0.00 C ATOM 169 CD1 TYR A 257 151.100 13.312 0.594 1.00 0.00 C ATOM 170 CD2 TYR A 257 152.678 12.530 2.199 1.00 0.00 C ATOM 171 CE1 TYR A 257 150.072 12.748 1.320 1.00 0.00 C ATOM 172 CE2 TYR A 257 151.658 11.964 2.934 1.00 0.00 C ATOM 173 CZ TYR A 257 150.355 12.074 2.491 1.00 0.00 C ATOM 174 OH TYR A 257 149.333 11.512 3.221 1.00 0.00 O ATOM 0 H TYR A 257 151.964 15.581 -0.985 1.00 0.00 H new ATOM 0 HA TYR A 257 153.692 15.620 1.413 1.00 0.00 H new ATOM 0 HB2 TYR A 257 153.420 13.577 -0.824 1.00 0.00 H new ATOM 0 HB3 TYR A 257 154.485 13.436 0.560 1.00 0.00 H new ATOM 0 HD1 TYR A 257 150.876 13.842 -0.320 1.00 0.00 H new ATOM 0 HD2 TYR A 257 153.696 12.442 2.548 1.00 0.00 H new ATOM 0 HE1 TYR A 257 149.052 12.833 0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 257 151.877 11.438 3.851 1.00 0.00 H new ATOM 0 HH TYR A 257 149.702 11.074 4.017 1.00 0.00 H new ATOM 184 N GLU A 258 155.910 15.720 0.101 1.00 0.00 N ATOM 185 CA GLU A 258 157.114 16.205 -0.529 1.00 0.00 C ATOM 186 C GLU A 258 158.244 15.277 -0.172 1.00 0.00 C ATOM 187 O GLU A 258 158.363 14.854 0.978 1.00 0.00 O ATOM 188 CB GLU A 258 157.431 17.631 -0.073 1.00 0.00 C ATOM 189 CG GLU A 258 158.283 18.410 -1.062 1.00 0.00 C ATOM 190 CD GLU A 258 159.427 19.146 -0.392 1.00 0.00 C ATOM 191 OE1 GLU A 258 160.343 18.474 0.127 1.00 0.00 O ATOM 192 OE2 GLU A 258 159.407 20.395 -0.387 1.00 0.00 O ATOM 0 H GLU A 258 156.068 15.199 0.964 1.00 0.00 H new ATOM 0 HA GLU A 258 156.977 16.228 -1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 258 156.496 18.168 0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 258 157.947 17.591 0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 258 158.684 17.725 -1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 258 157.655 19.127 -1.591 1.00 0.00 H new ATOM 199 N GLN A 259 159.072 14.948 -1.141 1.00 0.00 N ATOM 200 CA GLN A 259 160.168 14.058 -0.867 1.00 0.00 C ATOM 201 C GLN A 259 161.217 14.786 -0.052 1.00 0.00 C ATOM 202 O GLN A 259 161.465 15.974 -0.257 1.00 0.00 O ATOM 203 CB GLN A 259 160.774 13.512 -2.160 1.00 0.00 C ATOM 204 CG GLN A 259 161.151 12.042 -2.080 1.00 0.00 C ATOM 205 CD GLN A 259 162.089 11.620 -3.193 1.00 0.00 C ATOM 206 OE1 GLN A 259 163.313 12.136 -3.162 1.00 0.00 O flip ATOM 207 NE2 GLN A 259 161.719 10.840 -4.070 1.00 0.00 N flip ATOM 0 H GLN A 259 159.006 15.278 -2.104 1.00 0.00 H new ATOM 0 HA GLN A 259 159.794 13.208 -0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 259 160.062 13.652 -2.973 1.00 0.00 H new ATOM 0 HB3 GLN A 259 161.662 14.093 -2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 259 161.623 11.843 -1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 259 160.246 11.436 -2.123 1.00 0.00 H new ATOM 0 HE21 GLN A 259 160.769 10.468 -4.054 1.00 0.00 H new ATOM 0 HE22 GLN A 259 162.362 10.565 -4.813 1.00 0.00 H new ATOM 216 N ARG A 260 161.830 14.072 0.870 1.00 0.00 N ATOM 217 CA ARG A 260 162.858 14.657 1.718 1.00 0.00 C ATOM 218 C ARG A 260 163.979 13.656 1.956 1.00 0.00 C ATOM 219 O ARG A 260 163.829 12.474 1.663 1.00 0.00 O ATOM 220 CB ARG A 260 162.254 15.105 3.049 1.00 0.00 C ATOM 221 CG ARG A 260 162.663 16.509 3.461 1.00 0.00 C ATOM 222 CD ARG A 260 161.492 17.476 3.391 1.00 0.00 C ATOM 223 NE ARG A 260 161.801 18.757 4.024 1.00 0.00 N ATOM 224 CZ ARG A 260 162.380 19.778 3.395 1.00 0.00 C ATOM 225 NH1 ARG A 260 162.723 19.675 2.117 1.00 0.00 N ATOM 226 NH2 ARG A 260 162.619 20.906 4.049 1.00 0.00 N ATOM 0 H ARG A 260 161.637 13.087 1.054 1.00 0.00 H new ATOM 0 HA ARG A 260 163.273 15.529 1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 260 161.167 15.058 2.979 1.00 0.00 H new ATOM 0 HB3 ARG A 260 162.554 14.405 3.829 1.00 0.00 H new ATOM 0 HG2 ARG A 260 163.060 16.490 4.476 1.00 0.00 H new ATOM 0 HG3 ARG A 260 163.465 16.860 2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 260 161.221 17.643 2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 260 160.625 17.031 3.878 1.00 0.00 H new ATOM 0 HE ARG A 260 161.558 18.876 5.008 1.00 0.00 H new ATOM 0 HH11 ARG A 260 162.544 18.809 1.609 1.00 0.00 H new ATOM 0 HH12 ARG A 260 163.166 20.462 1.643 1.00 0.00 H new ATOM 0 HH21 ARG A 260 162.360 20.990 5.032 1.00 0.00 H new ATOM 0 HH22 ARG A 260 163.062 21.689 3.569 1.00 0.00 H new ATOM 240 N THR A 261 165.104 14.132 2.480 1.00 0.00 N ATOM 241 CA THR A 261 166.242 13.257 2.739 1.00 0.00 C ATOM 242 C THR A 261 166.753 13.407 4.165 1.00 0.00 C ATOM 243 O THR A 261 166.842 14.517 4.691 1.00 0.00 O ATOM 244 CB THR A 261 167.368 13.547 1.752 1.00 0.00 C ATOM 245 OG1 THR A 261 167.423 14.928 1.441 1.00 0.00 O ATOM 246 CG2 THR A 261 167.220 12.785 0.456 1.00 0.00 C ATOM 0 H THR A 261 165.252 15.109 2.732 1.00 0.00 H new ATOM 0 HA THR A 261 165.902 12.229 2.609 1.00 0.00 H new ATOM 0 HB THR A 261 168.284 13.225 2.246 1.00 0.00 H new ATOM 0 HG1 THR A 261 168.153 15.092 0.808 1.00 0.00 H new ATOM 0 HG21 THR A 261 168.049 13.031 -0.207 1.00 0.00 H new ATOM 0 HG22 THR A 261 167.224 11.714 0.661 1.00 0.00 H new ATOM 0 HG23 THR A 261 166.280 13.059 -0.022 1.00 0.00 H new ATOM 254 N THR A 262 167.090 12.282 4.786 1.00 0.00 N ATOM 255 CA THR A 262 167.595 12.296 6.154 1.00 0.00 C ATOM 256 C THR A 262 169.117 12.340 6.178 1.00 0.00 C ATOM 257 O THR A 262 169.783 11.459 5.638 1.00 0.00 O ATOM 258 CB THR A 262 167.093 11.085 6.952 1.00 0.00 C ATOM 259 OG1 THR A 262 168.074 10.062 6.999 1.00 0.00 O ATOM 260 CG2 THR A 262 165.823 10.483 6.396 1.00 0.00 C ATOM 0 H THR A 262 167.023 11.354 4.367 1.00 0.00 H new ATOM 0 HA THR A 262 167.212 13.200 6.627 1.00 0.00 H new ATOM 0 HB THR A 262 166.884 11.471 7.950 1.00 0.00 H new ATOM 0 HG1 THR A 262 167.645 9.207 7.211 1.00 0.00 H new ATOM 0 HG21 THR A 262 165.525 9.632 7.008 1.00 0.00 H new ATOM 0 HG22 THR A 262 165.031 11.232 6.406 1.00 0.00 H new ATOM 0 HG23 THR A 262 165.996 10.151 5.372 1.00 0.00 H new ATOM 268 N GLN A 263 169.636 13.376 6.827 1.00 0.00 N ATOM 269 CA GLN A 263 171.073 13.613 6.989 1.00 0.00 C ATOM 270 C GLN A 263 171.960 12.979 5.907 1.00 0.00 C ATOM 271 O GLN A 263 172.573 13.693 5.114 1.00 0.00 O ATOM 272 CB GLN A 263 171.534 13.148 8.376 1.00 0.00 C ATOM 273 CG GLN A 263 170.975 11.798 8.803 1.00 0.00 C ATOM 274 CD GLN A 263 172.062 10.769 9.047 1.00 0.00 C ATOM 275 OE1 GLN A 263 172.995 11.005 9.815 1.00 0.00 O ATOM 276 NE2 GLN A 263 171.948 9.619 8.392 1.00 0.00 N ATOM 0 H GLN A 263 169.059 14.093 7.267 1.00 0.00 H new ATOM 0 HA GLN A 263 171.199 14.690 6.879 1.00 0.00 H new ATOM 0 HB2 GLN A 263 172.623 13.097 8.386 1.00 0.00 H new ATOM 0 HB3 GLN A 263 171.244 13.897 9.112 1.00 0.00 H new ATOM 0 HG2 GLN A 263 170.387 11.923 9.712 1.00 0.00 H new ATOM 0 HG3 GLN A 263 170.297 11.430 8.033 1.00 0.00 H new ATOM 0 HE21 GLN A 263 171.158 9.465 7.765 1.00 0.00 H new ATOM 0 HE22 GLN A 263 172.650 8.890 8.516 1.00 0.00 H new ATOM 285 N GLN A 264 172.076 11.652 5.904 1.00 0.00 N ATOM 286 CA GLN A 264 172.948 10.974 4.947 1.00 0.00 C ATOM 287 C GLN A 264 172.258 10.603 3.624 1.00 0.00 C ATOM 288 O GLN A 264 172.740 9.740 2.901 1.00 0.00 O ATOM 289 CB GLN A 264 173.582 9.739 5.601 1.00 0.00 C ATOM 290 CG GLN A 264 174.711 9.117 4.789 1.00 0.00 C ATOM 291 CD GLN A 264 176.077 9.421 5.371 1.00 0.00 C ATOM 292 OE1 GLN A 264 176.416 8.961 6.462 1.00 0.00 O ATOM 293 NE2 GLN A 264 176.870 10.201 4.645 1.00 0.00 N ATOM 0 H GLN A 264 171.583 11.031 6.546 1.00 0.00 H new ATOM 0 HA GLN A 264 173.725 11.689 4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 264 173.965 10.017 6.583 1.00 0.00 H new ATOM 0 HB3 GLN A 264 172.808 8.988 5.762 1.00 0.00 H new ATOM 0 HG2 GLN A 264 174.570 8.037 4.744 1.00 0.00 H new ATOM 0 HG3 GLN A 264 174.665 9.487 3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 264 176.548 10.560 3.746 1.00 0.00 H new ATOM 0 HE22 GLN A 264 177.801 10.441 4.986 1.00 0.00 H new ATOM 302 N GLY A 265 171.170 11.290 3.275 1.00 0.00 N ATOM 303 CA GLY A 265 170.515 11.032 1.998 1.00 0.00 C ATOM 304 C GLY A 265 169.471 9.931 2.006 1.00 0.00 C ATOM 305 O GLY A 265 169.344 9.196 1.026 1.00 0.00 O ATOM 0 H GLY A 265 170.733 12.014 3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 265 170.042 11.954 1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 265 171.279 10.778 1.263 1.00 0.00 H new ATOM 309 N GLN A 266 168.701 9.827 3.074 1.00 0.00 N ATOM 310 CA GLN A 266 167.648 8.821 3.142 1.00 0.00 C ATOM 311 C GLN A 266 166.340 9.455 2.674 1.00 0.00 C ATOM 312 O GLN A 266 165.784 10.315 3.354 1.00 0.00 O ATOM 313 CB GLN A 266 167.535 8.280 4.569 1.00 0.00 C ATOM 314 CG GLN A 266 166.323 7.398 4.818 1.00 0.00 C ATOM 315 CD GLN A 266 166.247 6.930 6.259 1.00 0.00 C ATOM 316 OE1 GLN A 266 166.396 7.721 7.189 1.00 0.00 O ATOM 317 NE2 GLN A 266 166.024 5.637 6.453 1.00 0.00 N ATOM 0 H GLN A 266 168.781 10.419 3.901 1.00 0.00 H new ATOM 0 HA GLN A 266 167.881 7.978 2.492 1.00 0.00 H new ATOM 0 HB2 GLN A 266 168.435 7.711 4.800 1.00 0.00 H new ATOM 0 HB3 GLN A 266 167.504 9.122 5.261 1.00 0.00 H new ATOM 0 HG2 GLN A 266 165.416 7.949 4.567 1.00 0.00 H new ATOM 0 HG3 GLN A 266 166.363 6.532 4.157 1.00 0.00 H new ATOM 0 HE21 GLN A 266 165.906 5.014 5.654 1.00 0.00 H new ATOM 0 HE22 GLN A 266 165.971 5.265 7.401 1.00 0.00 H new ATOM 326 N VAL A 267 165.864 9.055 1.496 1.00 0.00 N ATOM 327 CA VAL A 267 164.643 9.637 0.953 1.00 0.00 C ATOM 328 C VAL A 267 163.392 9.047 1.587 1.00 0.00 C ATOM 329 O VAL A 267 163.101 7.863 1.432 1.00 0.00 O ATOM 330 CB VAL A 267 164.560 9.494 -0.584 1.00 0.00 C ATOM 331 CG1 VAL A 267 163.119 9.355 -1.042 1.00 0.00 C ATOM 332 CG2 VAL A 267 165.212 10.686 -1.261 1.00 0.00 C ATOM 0 H VAL A 267 166.298 8.342 0.909 1.00 0.00 H new ATOM 0 HA VAL A 267 164.689 10.698 1.200 1.00 0.00 H new ATOM 0 HB VAL A 267 165.096 8.589 -0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 267 163.090 9.256 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 267 162.676 8.470 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 267 162.555 10.239 -0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 267 165.146 10.571 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 267 164.699 11.600 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 267 166.260 10.744 -0.966 1.00 0.00 H new ATOM 342 N TYR A 268 162.636 9.901 2.267 1.00 0.00 N ATOM 343 CA TYR A 268 161.388 9.488 2.894 1.00 0.00 C ATOM 344 C TYR A 268 160.240 10.346 2.371 1.00 0.00 C ATOM 345 O TYR A 268 160.424 11.135 1.444 1.00 0.00 O ATOM 346 CB TYR A 268 161.479 9.571 4.423 1.00 0.00 C ATOM 347 CG TYR A 268 161.747 10.958 4.966 1.00 0.00 C ATOM 348 CD1 TYR A 268 163.033 11.482 4.983 1.00 0.00 C ATOM 349 CD2 TYR A 268 160.716 11.737 5.478 1.00 0.00 C ATOM 350 CE1 TYR A 268 163.285 12.741 5.494 1.00 0.00 C ATOM 351 CE2 TYR A 268 160.959 12.998 5.988 1.00 0.00 C ATOM 352 CZ TYR A 268 162.244 13.495 5.995 1.00 0.00 C ATOM 353 OH TYR A 268 162.491 14.750 6.504 1.00 0.00 O ATOM 0 H TYR A 268 162.867 10.886 2.398 1.00 0.00 H new ATOM 0 HA TYR A 268 161.198 8.446 2.635 1.00 0.00 H new ATOM 0 HB2 TYR A 268 160.546 9.203 4.849 1.00 0.00 H new ATOM 0 HB3 TYR A 268 162.270 8.903 4.763 1.00 0.00 H new ATOM 0 HD1 TYR A 268 163.850 10.895 4.590 1.00 0.00 H new ATOM 0 HD2 TYR A 268 159.708 11.350 5.477 1.00 0.00 H new ATOM 0 HE1 TYR A 268 164.291 13.133 5.501 1.00 0.00 H new ATOM 0 HE2 TYR A 268 160.146 13.591 6.379 1.00 0.00 H new ATOM 0 HH TYR A 268 161.651 15.148 6.815 1.00 0.00 H new ATOM 363 N PHE A 269 159.059 10.188 2.952 1.00 0.00 N ATOM 364 CA PHE A 269 157.898 10.956 2.516 1.00 0.00 C ATOM 365 C PHE A 269 157.324 11.777 3.659 1.00 0.00 C ATOM 366 O PHE A 269 156.967 11.240 4.707 1.00 0.00 O ATOM 367 CB PHE A 269 156.844 10.026 1.924 1.00 0.00 C ATOM 368 CG PHE A 269 157.193 9.585 0.536 1.00 0.00 C ATOM 369 CD1 PHE A 269 158.117 8.561 0.325 1.00 0.00 C ATOM 370 CD2 PHE A 269 156.614 10.207 -0.565 1.00 0.00 C ATOM 371 CE1 PHE A 269 158.449 8.172 -0.957 1.00 0.00 C ATOM 372 CE2 PHE A 269 156.951 9.815 -1.846 1.00 0.00 C ATOM 373 CZ PHE A 269 157.867 8.798 -2.042 1.00 0.00 C ATOM 0 H PHE A 269 158.879 9.541 3.720 1.00 0.00 H new ATOM 0 HA PHE A 269 158.217 11.653 1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 269 156.734 9.151 2.564 1.00 0.00 H new ATOM 0 HB3 PHE A 269 155.880 10.535 1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 269 158.575 8.070 1.170 1.00 0.00 H new ATOM 0 HD2 PHE A 269 155.897 11.001 -0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 269 159.164 7.378 -1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 269 156.498 10.304 -2.696 1.00 0.00 H new ATOM 0 HZ PHE A 269 158.128 8.493 -3.045 1.00 0.00 H new ATOM 383 N LEU A 270 157.276 13.090 3.464 1.00 0.00 N ATOM 384 CA LEU A 270 156.789 13.991 4.495 1.00 0.00 C ATOM 385 C LEU A 270 155.523 14.746 4.082 1.00 0.00 C ATOM 386 O LEU A 270 155.342 15.119 2.923 1.00 0.00 O ATOM 387 CB LEU A 270 157.891 14.991 4.865 1.00 0.00 C ATOM 388 CG LEU A 270 157.486 16.088 5.859 1.00 0.00 C ATOM 389 CD1 LEU A 270 158.013 15.773 7.251 1.00 0.00 C ATOM 390 CD2 LEU A 270 157.992 17.445 5.391 1.00 0.00 C ATOM 0 H LEU A 270 157.568 13.551 2.602 1.00 0.00 H new ATOM 0 HA LEU A 270 156.524 13.378 5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 270 158.732 14.439 5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 270 158.246 15.467 3.951 1.00 0.00 H new ATOM 0 HG LEU A 270 156.398 16.123 5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 270 157.715 16.563 7.940 1.00 0.00 H new ATOM 0 HD12 LEU A 270 157.602 14.822 7.589 1.00 0.00 H new ATOM 0 HD13 LEU A 270 159.101 15.708 7.222 1.00 0.00 H new ATOM 0 HD21 LEU A 270 157.696 18.211 6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 270 159.079 17.421 5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 270 157.564 17.676 4.415 1.00 0.00 H new ATOM 402 N HIS A 271 154.688 15.008 5.083 1.00 0.00 N ATOM 403 CA HIS A 271 153.464 15.774 4.886 1.00 0.00 C ATOM 404 C HIS A 271 153.714 17.214 5.301 1.00 0.00 C ATOM 405 O HIS A 271 153.508 17.579 6.459 1.00 0.00 O ATOM 406 CB HIS A 271 152.285 15.199 5.676 1.00 0.00 C ATOM 407 CG HIS A 271 151.018 15.144 4.878 1.00 0.00 C ATOM 408 ND1 HIS A 271 150.808 14.881 3.567 1.00 0.00 N flip ATOM 409 CD2 HIS A 271 149.774 15.393 5.419 1.00 0.00 C flip ATOM 410 CE1 HIS A 271 149.456 14.975 3.342 1.00 0.00 C flip ATOM 411 NE2 HIS A 271 148.855 15.285 4.476 1.00 0.00 N flip ATOM 0 H HIS A 271 154.839 14.699 6.043 1.00 0.00 H new ATOM 0 HA HIS A 271 153.196 15.721 3.831 1.00 0.00 H new ATOM 0 HB2 HIS A 271 152.538 14.195 6.016 1.00 0.00 H new ATOM 0 HB3 HIS A 271 152.121 15.805 6.567 1.00 0.00 H new ATOM 0 HD1 HIS A 271 151.522 14.655 2.874 1.00 0.00 H new ATOM 0 HD2 HIS A 271 149.581 15.638 6.453 1.00 0.00 H new ATOM 0 HE1 HIS A 271 148.965 14.821 2.393 1.00 0.00 H new ATOM 420 N THR A 272 154.187 18.017 4.348 1.00 0.00 N ATOM 421 CA THR A 272 154.500 19.421 4.600 1.00 0.00 C ATOM 422 C THR A 272 153.416 20.092 5.445 1.00 0.00 C ATOM 423 O THR A 272 153.691 21.010 6.218 1.00 0.00 O ATOM 424 CB THR A 272 154.676 20.176 3.277 1.00 0.00 C ATOM 425 OG1 THR A 272 154.483 21.569 3.460 1.00 0.00 O ATOM 426 CG2 THR A 272 153.727 19.721 2.188 1.00 0.00 C ATOM 0 H THR A 272 154.362 17.716 3.389 1.00 0.00 H new ATOM 0 HA THR A 272 155.435 19.456 5.159 1.00 0.00 H new ATOM 0 HB THR A 272 155.695 19.956 2.960 1.00 0.00 H new ATOM 0 HG1 THR A 272 154.601 22.031 2.604 1.00 0.00 H new ATOM 0 HG21 THR A 272 153.909 20.299 1.282 1.00 0.00 H new ATOM 0 HG22 THR A 272 153.889 18.663 1.983 1.00 0.00 H new ATOM 0 HG23 THR A 272 152.698 19.873 2.515 1.00 0.00 H new ATOM 434 N GLN A 273 152.184 19.625 5.279 1.00 0.00 N ATOM 435 CA GLN A 273 151.046 20.173 6.009 1.00 0.00 C ATOM 436 C GLN A 273 151.209 20.003 7.513 1.00 0.00 C ATOM 437 O GLN A 273 151.207 20.981 8.261 1.00 0.00 O ATOM 438 CB GLN A 273 149.760 19.479 5.567 1.00 0.00 C ATOM 439 CG GLN A 273 149.245 19.954 4.218 1.00 0.00 C ATOM 440 CD GLN A 273 149.083 18.827 3.215 1.00 0.00 C ATOM 441 OE1 GLN A 273 149.987 17.854 3.259 1.00 0.00 O flip ATOM 442 NE2 GLN A 273 148.154 18.831 2.408 1.00 0.00 N flip ATOM 0 H GLN A 273 151.947 18.864 4.642 1.00 0.00 H new ATOM 0 HA GLN A 273 150.995 21.239 5.785 1.00 0.00 H new ATOM 0 HB2 GLN A 273 149.934 18.404 5.522 1.00 0.00 H new ATOM 0 HB3 GLN A 273 148.990 19.646 6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 273 148.285 20.451 4.356 1.00 0.00 H new ATOM 0 HG3 GLN A 273 149.933 20.697 3.814 1.00 0.00 H new ATOM 0 HE21 GLN A 273 147.482 19.598 2.408 1.00 0.00 H new ATOM 0 HE22 GLN A 273 148.056 18.067 1.739 1.00 0.00 H new ATOM 451 N THR A 274 151.328 18.757 7.953 1.00 0.00 N ATOM 452 CA THR A 274 151.465 18.467 9.372 1.00 0.00 C ATOM 453 C THR A 274 152.867 17.979 9.719 1.00 0.00 C ATOM 454 O THR A 274 153.057 17.306 10.732 1.00 0.00 O ATOM 455 CB THR A 274 150.436 17.419 9.799 1.00 0.00 C ATOM 456 OG1 THR A 274 150.590 16.230 9.046 1.00 0.00 O ATOM 457 CG2 THR A 274 149.004 17.882 9.639 1.00 0.00 C ATOM 0 H THR A 274 151.332 17.935 7.349 1.00 0.00 H new ATOM 0 HA THR A 274 151.289 19.397 9.913 1.00 0.00 H new ATOM 0 HB THR A 274 150.626 17.244 10.858 1.00 0.00 H new ATOM 0 HG1 THR A 274 149.924 15.571 9.335 1.00 0.00 H new ATOM 0 HG21 THR A 274 148.327 17.090 9.960 1.00 0.00 H new ATOM 0 HG22 THR A 274 148.838 18.770 10.249 1.00 0.00 H new ATOM 0 HG23 THR A 274 148.813 18.120 8.593 1.00 0.00 H new ATOM 465 N GLY A 275 153.850 18.315 8.884 1.00 0.00 N ATOM 466 CA GLY A 275 155.214 17.890 9.143 1.00 0.00 C ATOM 467 C GLY A 275 155.312 16.417 9.485 1.00 0.00 C ATOM 468 O GLY A 275 156.144 16.017 10.299 1.00 0.00 O ATOM 0 H GLY A 275 153.726 18.871 8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 275 155.827 18.097 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 275 155.624 18.478 9.965 1.00 0.00 H new ATOM 472 N VAL A 276 154.459 15.607 8.866 1.00 0.00 N ATOM 473 CA VAL A 276 154.451 14.175 9.112 1.00 0.00 C ATOM 474 C VAL A 276 155.449 13.452 8.230 1.00 0.00 C ATOM 475 O VAL A 276 155.821 13.936 7.164 1.00 0.00 O ATOM 476 CB VAL A 276 153.042 13.589 8.905 1.00 0.00 C ATOM 477 CG1 VAL A 276 153.082 12.123 8.483 1.00 0.00 C ATOM 478 CG2 VAL A 276 152.265 13.753 10.183 1.00 0.00 C ATOM 0 H VAL A 276 153.764 15.922 8.189 1.00 0.00 H new ATOM 0 HA VAL A 276 154.745 14.025 10.151 1.00 0.00 H new ATOM 0 HB VAL A 276 152.555 14.130 8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 276 152.065 11.755 8.349 1.00 0.00 H new ATOM 0 HG12 VAL A 276 153.628 12.029 7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 276 153.582 11.536 9.254 1.00 0.00 H new ATOM 0 HG21 VAL A 276 151.263 13.343 10.055 1.00 0.00 H new ATOM 0 HG22 VAL A 276 152.774 13.223 10.989 1.00 0.00 H new ATOM 0 HG23 VAL A 276 152.195 14.812 10.433 1.00 0.00 H new ATOM 488 N SER A 277 155.878 12.288 8.693 1.00 0.00 N ATOM 489 CA SER A 277 156.841 11.481 7.952 1.00 0.00 C ATOM 490 C SER A 277 156.371 10.035 7.815 1.00 0.00 C ATOM 491 O SER A 277 156.196 9.331 8.809 1.00 0.00 O ATOM 492 CB SER A 277 158.210 11.522 8.635 1.00 0.00 C ATOM 493 OG SER A 277 158.100 11.249 10.021 1.00 0.00 O ATOM 0 H SER A 277 155.576 11.879 9.577 1.00 0.00 H new ATOM 0 HA SER A 277 156.926 11.906 6.952 1.00 0.00 H new ATOM 0 HB2 SER A 277 158.873 10.793 8.170 1.00 0.00 H new ATOM 0 HB3 SER A 277 158.662 12.503 8.490 1.00 0.00 H new ATOM 0 HG SER A 277 157.447 10.532 10.162 1.00 0.00 H new ATOM 499 N THR A 278 156.189 9.597 6.572 1.00 0.00 N ATOM 500 CA THR A 278 155.763 8.230 6.292 1.00 0.00 C ATOM 501 C THR A 278 156.679 7.589 5.261 1.00 0.00 C ATOM 502 O THR A 278 157.257 8.270 4.416 1.00 0.00 O ATOM 503 CB THR A 278 154.318 8.188 5.794 1.00 0.00 C ATOM 504 OG1 THR A 278 154.029 6.930 5.211 1.00 0.00 O ATOM 505 CG2 THR A 278 154.005 9.250 4.764 1.00 0.00 C ATOM 0 H THR A 278 156.331 10.171 5.741 1.00 0.00 H new ATOM 0 HA THR A 278 155.821 7.669 7.225 1.00 0.00 H new ATOM 0 HB THR A 278 153.704 8.370 6.676 1.00 0.00 H new ATOM 0 HG1 THR A 278 153.100 6.920 4.899 1.00 0.00 H new ATOM 0 HG21 THR A 278 152.963 9.162 4.455 1.00 0.00 H new ATOM 0 HG22 THR A 278 154.173 10.237 5.196 1.00 0.00 H new ATOM 0 HG23 THR A 278 154.653 9.118 3.897 1.00 0.00 H new ATOM 513 N TRP A 279 156.828 6.281 5.360 1.00 0.00 N ATOM 514 CA TRP A 279 157.696 5.535 4.461 1.00 0.00 C ATOM 515 C TRP A 279 157.000 5.155 3.161 1.00 0.00 C ATOM 516 O TRP A 279 157.650 4.974 2.132 1.00 0.00 O ATOM 517 CB TRP A 279 158.184 4.276 5.162 1.00 0.00 C ATOM 518 CG TRP A 279 159.533 4.435 5.771 1.00 0.00 C ATOM 519 CD1 TRP A 279 159.894 4.127 7.046 1.00 0.00 C ATOM 520 CD2 TRP A 279 160.704 4.947 5.130 1.00 0.00 C ATOM 521 NE1 TRP A 279 161.220 4.407 7.237 1.00 0.00 N ATOM 522 CE2 TRP A 279 161.743 4.905 6.073 1.00 0.00 C ATOM 523 CE3 TRP A 279 160.974 5.429 3.849 1.00 0.00 C ATOM 524 CZ2 TRP A 279 163.037 5.323 5.775 1.00 0.00 C ATOM 525 CZ3 TRP A 279 162.256 5.848 3.554 1.00 0.00 C ATOM 526 CH2 TRP A 279 163.276 5.788 4.512 1.00 0.00 C ATOM 0 H TRP A 279 156.356 5.707 6.059 1.00 0.00 H new ATOM 0 HA TRP A 279 158.535 6.181 4.204 1.00 0.00 H new ATOM 0 HB2 TRP A 279 157.471 4.000 5.939 1.00 0.00 H new ATOM 0 HB3 TRP A 279 158.209 3.455 4.446 1.00 0.00 H new ATOM 0 HD1 TRP A 279 159.232 3.721 7.797 1.00 0.00 H new ATOM 0 HE1 TRP A 279 161.736 4.267 8.106 1.00 0.00 H new ATOM 0 HE3 TRP A 279 160.195 5.474 3.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 279 163.823 5.281 6.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 279 162.476 6.229 2.568 1.00 0.00 H new ATOM 0 HH2 TRP A 279 164.271 6.115 4.248 1.00 0.00 H new ATOM 537 N HIS A 280 155.686 5.010 3.210 1.00 0.00 N ATOM 538 CA HIS A 280 154.932 4.622 2.027 1.00 0.00 C ATOM 539 C HIS A 280 154.481 5.843 1.237 1.00 0.00 C ATOM 540 O HIS A 280 154.201 6.897 1.807 1.00 0.00 O ATOM 541 CB HIS A 280 153.707 3.765 2.396 1.00 0.00 C ATOM 542 CG HIS A 280 153.693 3.221 3.800 1.00 0.00 C ATOM 543 ND1 HIS A 280 154.692 2.979 4.686 1.00 0.00 N flip ATOM 544 CD2 HIS A 280 152.529 2.842 4.434 1.00 0.00 C flip ATOM 545 CE1 HIS A 280 154.116 2.465 5.821 1.00 0.00 C flip ATOM 546 NE2 HIS A 280 152.811 2.393 5.644 1.00 0.00 N flip ATOM 0 H HIS A 280 155.122 5.153 4.048 1.00 0.00 H new ATOM 0 HA HIS A 280 155.600 4.026 1.406 1.00 0.00 H new ATOM 0 HB2 HIS A 280 152.809 4.365 2.249 1.00 0.00 H new ATOM 0 HB3 HIS A 280 153.649 2.928 1.700 1.00 0.00 H new ATOM 0 HD2 HIS A 280 151.539 2.903 4.007 1.00 0.00 H new ATOM 0 HE1 HIS A 280 154.646 2.168 6.714 1.00 0.00 H new ATOM 0 HE2 HIS A 280 152.134 2.049 6.326 1.00 0.00 H new ATOM 555 N ASP A 281 154.389 5.683 -0.080 1.00 0.00 N ATOM 556 CA ASP A 281 153.942 6.762 -0.948 1.00 0.00 C ATOM 557 C ASP A 281 152.419 6.804 -0.944 1.00 0.00 C ATOM 558 O ASP A 281 151.769 5.800 -1.235 1.00 0.00 O ATOM 559 CB ASP A 281 154.462 6.557 -2.374 1.00 0.00 C ATOM 560 CG ASP A 281 154.257 7.781 -3.246 1.00 0.00 C ATOM 561 OD1 ASP A 281 154.384 8.910 -2.725 1.00 0.00 O ATOM 562 OD2 ASP A 281 153.968 7.612 -4.449 1.00 0.00 O ATOM 0 H ASP A 281 154.618 4.817 -0.567 1.00 0.00 H new ATOM 0 HA ASP A 281 154.336 7.708 -0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 281 155.524 6.313 -2.339 1.00 0.00 H new ATOM 0 HB3 ASP A 281 153.954 5.704 -2.824 1.00 0.00 H new ATOM 567 N PRO A 282 151.817 7.949 -0.591 1.00 0.00 N ATOM 568 CA PRO A 282 150.359 8.063 -0.535 1.00 0.00 C ATOM 569 C PRO A 282 149.693 7.705 -1.861 1.00 0.00 C ATOM 570 O PRO A 282 148.522 7.326 -1.892 1.00 0.00 O ATOM 571 CB PRO A 282 150.113 9.527 -0.163 1.00 0.00 C ATOM 572 CG PRO A 282 151.395 9.999 0.440 1.00 0.00 C ATOM 573 CD PRO A 282 152.494 9.203 -0.203 1.00 0.00 C ATOM 0 HA PRO A 282 149.927 7.366 0.183 1.00 0.00 H new ATOM 0 HB2 PRO A 282 149.850 10.117 -1.041 1.00 0.00 H new ATOM 0 HB3 PRO A 282 149.288 9.621 0.543 1.00 0.00 H new ATOM 0 HG2 PRO A 282 151.536 11.065 0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 282 151.392 9.852 1.520 1.00 0.00 H new ATOM 0 HD2 PRO A 282 152.913 9.719 -1.067 1.00 0.00 H new ATOM 0 HD3 PRO A 282 153.316 9.020 0.488 1.00 0.00 H new ATOM 581 N ARG A 283 150.440 7.824 -2.956 1.00 0.00 N ATOM 582 CA ARG A 283 149.908 7.506 -4.277 1.00 0.00 C ATOM 583 C ARG A 283 149.632 6.013 -4.405 1.00 0.00 C ATOM 584 O ARG A 283 148.574 5.606 -4.884 1.00 0.00 O ATOM 585 CB ARG A 283 150.881 7.947 -5.375 1.00 0.00 C ATOM 586 CG ARG A 283 150.329 9.046 -6.271 1.00 0.00 C ATOM 587 CD ARG A 283 151.365 10.125 -6.538 1.00 0.00 C ATOM 588 NE ARG A 283 152.115 9.870 -7.765 1.00 0.00 N ATOM 589 CZ ARG A 283 151.741 10.297 -8.968 1.00 0.00 C ATOM 590 NH1 ARG A 283 150.620 10.994 -9.118 1.00 0.00 N ATOM 591 NH2 ARG A 283 152.490 10.021 -10.026 1.00 0.00 N ATOM 0 H ARG A 283 151.411 8.137 -2.954 1.00 0.00 H new ATOM 0 HA ARG A 283 148.970 8.049 -4.397 1.00 0.00 H new ATOM 0 HB2 ARG A 283 151.804 8.296 -4.912 1.00 0.00 H new ATOM 0 HB3 ARG A 283 151.139 7.084 -5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 283 150.001 8.614 -7.217 1.00 0.00 H new ATOM 0 HG3 ARG A 283 149.452 9.492 -5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 283 150.870 11.093 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 283 152.055 10.182 -5.696 1.00 0.00 H new ATOM 0 HE ARG A 283 152.978 9.332 -7.695 1.00 0.00 H new ATOM 0 HH11 ARG A 283 150.039 11.206 -8.307 1.00 0.00 H new ATOM 0 HH12 ARG A 283 150.341 11.318 -10.044 1.00 0.00 H new ATOM 0 HH21 ARG A 283 153.350 9.483 -9.916 1.00 0.00 H new ATOM 0 HH22 ARG A 283 152.207 10.347 -10.950 1.00 0.00 H new ATOM 605 N VAL A 284 150.593 5.199 -3.980 1.00 0.00 N ATOM 606 CA VAL A 284 150.451 3.760 -4.054 1.00 0.00 C ATOM 607 C VAL A 284 149.649 3.225 -2.867 1.00 0.00 C ATOM 608 O VAL A 284 149.692 3.790 -1.774 1.00 0.00 O ATOM 609 CB VAL A 284 151.825 3.073 -4.123 1.00 0.00 C ATOM 610 CG1 VAL A 284 152.703 3.723 -5.183 1.00 0.00 C ATOM 611 CG2 VAL A 284 152.505 3.097 -2.773 1.00 0.00 C ATOM 0 H VAL A 284 151.476 5.517 -3.582 1.00 0.00 H new ATOM 0 HA VAL A 284 149.905 3.529 -4.969 1.00 0.00 H new ATOM 0 HB VAL A 284 151.669 2.032 -4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 284 153.670 3.220 -5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 284 152.220 3.640 -6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 284 152.849 4.775 -4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 284 153.475 2.606 -2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 284 152.644 4.130 -2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 284 151.886 2.573 -2.045 1.00 0.00 H new ATOM 621 N PRO A 285 148.898 2.129 -3.070 1.00 0.00 N ATOM 622 CA PRO A 285 148.076 1.524 -2.016 1.00 0.00 C ATOM 623 C PRO A 285 148.906 1.039 -0.832 1.00 0.00 C ATOM 624 O PRO A 285 150.123 0.883 -0.934 1.00 0.00 O ATOM 625 CB PRO A 285 147.396 0.340 -2.711 1.00 0.00 C ATOM 626 CG PRO A 285 147.510 0.623 -4.171 1.00 0.00 C ATOM 627 CD PRO A 285 148.784 1.399 -4.342 1.00 0.00 C ATOM 0 HA PRO A 285 147.374 2.245 -1.596 1.00 0.00 H new ATOM 0 HB2 PRO A 285 147.883 -0.600 -2.453 1.00 0.00 H new ATOM 0 HB3 PRO A 285 146.353 0.252 -2.408 1.00 0.00 H new ATOM 0 HG2 PRO A 285 147.536 -0.302 -4.747 1.00 0.00 H new ATOM 0 HG3 PRO A 285 146.653 1.196 -4.526 1.00 0.00 H new ATOM 0 HD2 PRO A 285 149.638 0.742 -4.509 1.00 0.00 H new ATOM 0 HD3 PRO A 285 148.733 2.077 -5.194 1.00 0.00 H new ATOM 701 N ASN A 290 155.564 -2.123 -0.883 1.00 0.00 N ATOM 702 CA ASN A 290 156.875 -2.759 -0.944 1.00 0.00 C ATOM 703 C ASN A 290 156.922 -3.753 -2.099 1.00 0.00 C ATOM 704 O ASN A 290 156.913 -4.966 -1.891 1.00 0.00 O ATOM 705 CB ASN A 290 157.183 -3.470 0.375 1.00 0.00 C ATOM 706 CG ASN A 290 158.628 -3.920 0.466 1.00 0.00 C ATOM 707 OD1 ASN A 290 158.919 -5.116 0.468 1.00 0.00 O ATOM 708 ND2 ASN A 290 159.542 -2.961 0.541 1.00 0.00 N ATOM 0 HA ASN A 290 157.629 -1.989 -1.110 1.00 0.00 H new ATOM 0 HB2 ASN A 290 156.961 -2.800 1.206 1.00 0.00 H new ATOM 0 HB3 ASN A 290 156.529 -4.335 0.479 1.00 0.00 H new ATOM 0 HD21 ASN A 290 160.531 -3.203 0.603 1.00 0.00 H new ATOM 0 HD22 ASN A 290 159.256 -1.982 0.536 1.00 0.00 H new ATOM 715 N ILE A 291 156.956 -3.226 -3.318 1.00 0.00 N ATOM 716 CA ILE A 291 156.987 -4.061 -4.514 1.00 0.00 C ATOM 717 C ILE A 291 158.379 -4.089 -5.136 1.00 0.00 C ATOM 718 O ILE A 291 159.257 -3.312 -4.759 1.00 0.00 O ATOM 719 CB ILE A 291 155.983 -3.569 -5.585 1.00 0.00 C ATOM 720 CG1 ILE A 291 154.851 -2.752 -4.951 1.00 0.00 C ATOM 721 CG2 ILE A 291 155.420 -4.750 -6.364 1.00 0.00 C ATOM 722 CD1 ILE A 291 153.889 -3.592 -4.151 1.00 0.00 C ATOM 0 H ILE A 291 156.963 -2.223 -3.504 1.00 0.00 H new ATOM 0 HA ILE A 291 156.707 -5.064 -4.192 1.00 0.00 H new ATOM 0 HB ILE A 291 156.518 -2.917 -6.276 1.00 0.00 H new ATOM 0 HG12 ILE A 291 155.282 -1.988 -4.304 1.00 0.00 H new ATOM 0 HG13 ILE A 291 154.303 -2.232 -5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 291 154.716 -4.389 -7.113 1.00 0.00 H new ATOM 0 HG22 ILE A 291 156.234 -5.282 -6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 291 154.907 -5.426 -5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 291 153.112 -2.954 -3.729 1.00 0.00 H new ATOM 0 HD12 ILE A 291 153.432 -4.339 -4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 291 154.426 -4.091 -3.344 1.00 0.00 H new ATOM 734 N ASN A 292 158.565 -4.981 -6.104 1.00 0.00 N ATOM 735 CA ASN A 292 159.839 -5.105 -6.802 1.00 0.00 C ATOM 736 C ASN A 292 159.638 -4.846 -8.292 1.00 0.00 C ATOM 737 O ASN A 292 158.893 -5.558 -8.966 1.00 0.00 O ATOM 738 CB ASN A 292 160.452 -6.486 -6.574 1.00 0.00 C ATOM 739 CG ASN A 292 161.966 -6.454 -6.592 1.00 0.00 C ATOM 740 OD1 ASN A 292 162.539 -6.583 -7.779 1.00 0.00 O flip ATOM 741 ND2 ASN A 292 162.610 -6.316 -5.553 1.00 0.00 N flip ATOM 0 H ASN A 292 157.846 -5.631 -6.423 1.00 0.00 H new ATOM 0 HA ASN A 292 160.530 -4.363 -6.403 1.00 0.00 H new ATOM 0 HB2 ASN A 292 160.111 -6.879 -5.616 1.00 0.00 H new ATOM 0 HB3 ASN A 292 160.096 -7.170 -7.344 1.00 0.00 H new ATOM 0 HD21 ASN A 292 162.125 -6.220 -4.661 1.00 0.00 H new ATOM 0 HD22 ASN A 292 163.629 -6.297 -5.583 1.00 0.00 H new ATOM 748 N CYS A 293 160.282 -3.798 -8.785 1.00 0.00 N ATOM 749 CA CYS A 293 160.164 -3.393 -10.182 1.00 0.00 C ATOM 750 C CYS A 293 160.540 -4.499 -11.165 1.00 0.00 C ATOM 751 O CYS A 293 159.994 -4.561 -12.266 1.00 0.00 O ATOM 752 CB CYS A 293 161.036 -2.170 -10.434 1.00 0.00 C ATOM 753 SG CYS A 293 162.783 -2.413 -10.036 1.00 0.00 S ATOM 0 H CYS A 293 160.900 -3.205 -8.231 1.00 0.00 H new ATOM 0 HA CYS A 293 159.113 -3.161 -10.355 1.00 0.00 H new ATOM 0 HB2 CYS A 293 160.950 -1.886 -11.483 1.00 0.00 H new ATOM 0 HB3 CYS A 293 160.653 -1.337 -9.845 1.00 0.00 H new ATOM 0 HG CYS A 293 163.518 -1.837 -10.940 1.00 0.00 H new ATOM 759 N GLU A 294 161.483 -5.355 -10.791 1.00 0.00 N ATOM 760 CA GLU A 294 161.918 -6.429 -11.682 1.00 0.00 C ATOM 761 C GLU A 294 160.732 -7.238 -12.210 1.00 0.00 C ATOM 762 O GLU A 294 160.820 -7.857 -13.270 1.00 0.00 O ATOM 763 CB GLU A 294 162.918 -7.349 -10.976 1.00 0.00 C ATOM 764 CG GLU A 294 164.261 -7.434 -11.680 1.00 0.00 C ATOM 765 CD GLU A 294 164.225 -8.329 -12.903 1.00 0.00 C ATOM 766 OE1 GLU A 294 164.020 -9.550 -12.738 1.00 0.00 O ATOM 767 OE2 GLU A 294 164.402 -7.810 -14.025 1.00 0.00 O ATOM 0 H GLU A 294 161.958 -5.330 -9.889 1.00 0.00 H new ATOM 0 HA GLU A 294 162.412 -5.964 -12.535 1.00 0.00 H new ATOM 0 HB2 GLU A 294 163.072 -6.992 -9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 294 162.491 -8.349 -10.902 1.00 0.00 H new ATOM 0 HG2 GLU A 294 164.575 -6.433 -11.976 1.00 0.00 H new ATOM 0 HG3 GLU A 294 165.009 -7.809 -10.982 1.00 0.00 H new ATOM 774 N GLU A 295 159.626 -7.229 -11.471 1.00 0.00 N ATOM 775 CA GLU A 295 158.430 -7.963 -11.880 1.00 0.00 C ATOM 776 C GLU A 295 157.551 -7.126 -12.811 1.00 0.00 C ATOM 777 O GLU A 295 156.584 -7.630 -13.382 1.00 0.00 O ATOM 778 CB GLU A 295 157.626 -8.392 -10.651 1.00 0.00 C ATOM 779 CG GLU A 295 156.565 -9.439 -10.953 1.00 0.00 C ATOM 780 CD GLU A 295 156.885 -10.788 -10.338 1.00 0.00 C ATOM 781 OE1 GLU A 295 157.779 -11.483 -10.864 1.00 0.00 O ATOM 782 OE2 GLU A 295 156.240 -11.149 -9.331 1.00 0.00 O ATOM 0 H GLU A 295 159.532 -6.724 -10.590 1.00 0.00 H new ATOM 0 HA GLU A 295 158.755 -8.849 -12.426 1.00 0.00 H new ATOM 0 HB2 GLU A 295 158.310 -8.786 -9.899 1.00 0.00 H new ATOM 0 HB3 GLU A 295 157.146 -7.515 -10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 295 155.601 -9.093 -10.579 1.00 0.00 H new ATOM 0 HG3 GLU A 295 156.467 -9.550 -12.033 1.00 0.00 H new ATOM 789 N LEU A 296 157.891 -5.850 -12.959 1.00 0.00 N ATOM 790 CA LEU A 296 157.130 -4.946 -13.820 1.00 0.00 C ATOM 791 C LEU A 296 157.965 -4.490 -15.012 1.00 0.00 C ATOM 792 O LEU A 296 157.425 -4.112 -16.052 1.00 0.00 O ATOM 793 CB LEU A 296 156.655 -3.718 -13.035 1.00 0.00 C ATOM 794 CG LEU A 296 156.413 -3.938 -11.540 1.00 0.00 C ATOM 795 CD1 LEU A 296 156.731 -2.673 -10.760 1.00 0.00 C ATOM 796 CD2 LEU A 296 154.978 -4.368 -11.293 1.00 0.00 C ATOM 0 H LEU A 296 158.689 -5.416 -12.494 1.00 0.00 H new ATOM 0 HA LEU A 296 156.263 -5.497 -14.185 1.00 0.00 H new ATOM 0 HB2 LEU A 296 157.395 -2.927 -13.152 1.00 0.00 H new ATOM 0 HB3 LEU A 296 155.730 -3.358 -13.485 1.00 0.00 H new ATOM 0 HG LEU A 296 157.075 -4.732 -11.195 1.00 0.00 H new ATOM 0 HD11 LEU A 296 156.554 -2.846 -9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 296 157.776 -2.403 -10.914 1.00 0.00 H new ATOM 0 HD13 LEU A 296 156.092 -1.861 -11.107 1.00 0.00 H new ATOM 0 HD21 LEU A 296 154.823 -4.520 -10.225 1.00 0.00 H new ATOM 0 HD22 LEU A 296 154.299 -3.594 -11.652 1.00 0.00 H new ATOM 0 HD23 LEU A 296 154.780 -5.299 -11.825 1.00 0.00 H new ATOM 808 N GLY A 297 159.284 -4.517 -14.853 1.00 0.00 N ATOM 809 CA GLY A 297 160.168 -4.097 -15.921 1.00 0.00 C ATOM 810 C GLY A 297 161.551 -3.736 -15.414 1.00 0.00 C ATOM 811 O GLY A 297 161.900 -4.056 -14.278 1.00 0.00 O ATOM 0 H GLY A 297 159.756 -4.823 -14.002 1.00 0.00 H new ATOM 0 HA2 GLY A 297 160.250 -4.897 -16.657 1.00 0.00 H new ATOM 0 HA3 GLY A 297 159.735 -3.237 -16.432 1.00 0.00 H new ATOM 815 N PRO A 298 162.371 -3.070 -16.243 1.00 0.00 N ATOM 816 CA PRO A 298 163.729 -2.675 -15.874 1.00 0.00 C ATOM 817 C PRO A 298 163.763 -1.411 -15.018 1.00 0.00 C ATOM 818 O PRO A 298 162.874 -0.566 -15.101 1.00 0.00 O ATOM 819 CB PRO A 298 164.417 -2.415 -17.227 1.00 0.00 C ATOM 820 CG PRO A 298 163.395 -2.712 -18.283 1.00 0.00 C ATOM 821 CD PRO A 298 162.053 -2.657 -17.611 1.00 0.00 C ATOM 0 HA PRO A 298 164.215 -3.442 -15.271 1.00 0.00 H new ATOM 0 HB2 PRO A 298 164.760 -1.383 -17.297 1.00 0.00 H new ATOM 0 HB3 PRO A 298 165.294 -3.051 -17.345 1.00 0.00 H new ATOM 0 HG2 PRO A 298 163.453 -1.985 -19.093 1.00 0.00 H new ATOM 0 HG3 PRO A 298 163.567 -3.694 -18.723 1.00 0.00 H new ATOM 0 HD2 PRO A 298 161.623 -1.656 -17.644 1.00 0.00 H new ATOM 0 HD3 PRO A 298 161.335 -3.328 -18.082 1.00 0.00 H new ATOM 829 N LEU A 299 164.810 -1.288 -14.210 1.00 0.00 N ATOM 830 CA LEU A 299 165.000 -0.135 -13.349 1.00 0.00 C ATOM 831 C LEU A 299 165.271 1.106 -14.207 1.00 0.00 C ATOM 832 O LEU A 299 165.948 1.014 -15.231 1.00 0.00 O ATOM 833 CB LEU A 299 166.169 -0.436 -12.409 1.00 0.00 C ATOM 834 CG LEU A 299 166.336 0.496 -11.221 1.00 0.00 C ATOM 835 CD1 LEU A 299 165.250 0.266 -10.172 1.00 0.00 C ATOM 836 CD2 LEU A 299 167.717 0.300 -10.618 1.00 0.00 C ATOM 0 H LEU A 299 165.549 -1.987 -14.136 1.00 0.00 H new ATOM 0 HA LEU A 299 164.108 0.065 -12.756 1.00 0.00 H new ATOM 0 HB2 LEU A 299 166.052 -1.452 -12.033 1.00 0.00 H new ATOM 0 HB3 LEU A 299 167.090 -0.416 -12.992 1.00 0.00 H new ATOM 0 HG LEU A 299 166.235 1.524 -11.568 1.00 0.00 H new ATOM 0 HD11 LEU A 299 165.401 0.950 -9.337 1.00 0.00 H new ATOM 0 HD12 LEU A 299 164.271 0.446 -10.616 1.00 0.00 H new ATOM 0 HD13 LEU A 299 165.302 -0.762 -9.814 1.00 0.00 H new ATOM 0 HD21 LEU A 299 167.840 0.968 -9.765 1.00 0.00 H new ATOM 0 HD22 LEU A 299 167.827 -0.733 -10.289 1.00 0.00 H new ATOM 0 HD23 LEU A 299 168.476 0.525 -11.367 1.00 0.00 H new ATOM 848 N PRO A 300 164.727 2.279 -13.828 1.00 0.00 N ATOM 849 CA PRO A 300 164.906 3.513 -14.608 1.00 0.00 C ATOM 850 C PRO A 300 166.299 4.128 -14.464 1.00 0.00 C ATOM 851 O PRO A 300 167.131 3.634 -13.704 1.00 0.00 O ATOM 852 CB PRO A 300 163.843 4.452 -14.038 1.00 0.00 C ATOM 853 CG PRO A 300 163.585 3.967 -12.653 1.00 0.00 C ATOM 854 CD PRO A 300 163.879 2.490 -12.637 1.00 0.00 C ATOM 0 HA PRO A 300 164.806 3.323 -15.677 1.00 0.00 H new ATOM 0 HB2 PRO A 300 164.193 5.484 -14.034 1.00 0.00 H new ATOM 0 HB3 PRO A 300 162.934 4.426 -14.639 1.00 0.00 H new ATOM 0 HG2 PRO A 300 164.217 4.493 -11.937 1.00 0.00 H new ATOM 0 HG3 PRO A 300 162.551 4.157 -12.365 1.00 0.00 H new ATOM 0 HD2 PRO A 300 164.395 2.196 -11.723 1.00 0.00 H new ATOM 0 HD3 PRO A 300 162.964 1.901 -12.690 1.00 0.00 H new ATOM 862 N PRO A 301 166.568 5.226 -15.206 1.00 0.00 N ATOM 863 CA PRO A 301 167.864 5.918 -15.164 1.00 0.00 C ATOM 864 C PRO A 301 168.290 6.236 -13.739 1.00 0.00 C ATOM 865 O PRO A 301 167.471 6.633 -12.917 1.00 0.00 O ATOM 866 CB PRO A 301 167.606 7.205 -15.950 1.00 0.00 C ATOM 867 CG PRO A 301 166.492 6.863 -16.877 1.00 0.00 C ATOM 868 CD PRO A 301 165.628 5.877 -16.141 1.00 0.00 C ATOM 0 HA PRO A 301 168.670 5.312 -15.577 1.00 0.00 H new ATOM 0 HB2 PRO A 301 167.332 8.026 -15.287 1.00 0.00 H new ATOM 0 HB3 PRO A 301 168.494 7.520 -16.497 1.00 0.00 H new ATOM 0 HG2 PRO A 301 165.924 7.753 -17.149 1.00 0.00 H new ATOM 0 HG3 PRO A 301 166.873 6.433 -17.803 1.00 0.00 H new ATOM 0 HD2 PRO A 301 164.814 6.373 -15.612 1.00 0.00 H new ATOM 0 HD3 PRO A 301 165.174 5.156 -16.820 1.00 0.00 H new ATOM 876 N GLY A 302 169.582 6.114 -13.465 1.00 0.00 N ATOM 877 CA GLY A 302 170.095 6.424 -12.142 1.00 0.00 C ATOM 878 C GLY A 302 169.406 5.666 -11.018 1.00 0.00 C ATOM 879 O GLY A 302 168.655 6.259 -10.247 1.00 0.00 O ATOM 0 H GLY A 302 170.286 5.806 -14.135 1.00 0.00 H new ATOM 0 HA2 GLY A 302 171.162 6.201 -12.116 1.00 0.00 H new ATOM 0 HA3 GLY A 302 169.988 7.494 -11.964 1.00 0.00 H new ATOM 883 N TRP A 303 169.675 4.360 -10.906 1.00 0.00 N ATOM 884 CA TRP A 303 169.083 3.543 -9.841 1.00 0.00 C ATOM 885 C TRP A 303 169.901 2.287 -9.553 1.00 0.00 C ATOM 886 O TRP A 303 170.662 1.813 -10.396 1.00 0.00 O ATOM 887 CB TRP A 303 167.661 3.121 -10.191 1.00 0.00 C ATOM 888 CG TRP A 303 166.685 4.234 -10.169 1.00 0.00 C ATOM 889 CD1 TRP A 303 166.473 5.115 -11.163 1.00 0.00 C ATOM 890 CD2 TRP A 303 165.778 4.574 -9.121 1.00 0.00 C ATOM 891 NE1 TRP A 303 165.514 6.021 -10.798 1.00 0.00 N ATOM 892 CE2 TRP A 303 165.058 5.701 -9.550 1.00 0.00 C ATOM 893 CE3 TRP A 303 165.509 4.040 -7.862 1.00 0.00 C ATOM 894 CZ2 TRP A 303 164.084 6.305 -8.765 1.00 0.00 C ATOM 895 CZ3 TRP A 303 164.537 4.637 -7.082 1.00 0.00 C ATOM 896 CH2 TRP A 303 163.835 5.759 -7.538 1.00 0.00 C ATOM 0 H TRP A 303 170.294 3.849 -11.535 1.00 0.00 H new ATOM 0 HA TRP A 303 169.076 4.173 -8.951 1.00 0.00 H new ATOM 0 HB2 TRP A 303 167.660 2.669 -11.183 1.00 0.00 H new ATOM 0 HB3 TRP A 303 167.337 2.352 -9.490 1.00 0.00 H new ATOM 0 HD1 TRP A 303 166.986 5.109 -12.113 1.00 0.00 H new ATOM 0 HE1 TRP A 303 165.193 6.806 -11.364 1.00 0.00 H new ATOM 0 HE3 TRP A 303 166.050 3.177 -7.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 163.544 7.174 -9.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 164.316 4.232 -6.106 1.00 0.00 H new ATOM 0 HH2 TRP A 303 163.080 6.203 -6.906 1.00 0.00 H new ATOM 907 N GLU A 304 169.702 1.741 -8.357 1.00 0.00 N ATOM 908 CA GLU A 304 170.374 0.515 -7.928 1.00 0.00 C ATOM 909 C GLU A 304 169.540 -0.185 -6.853 1.00 0.00 C ATOM 910 O GLU A 304 169.133 0.444 -5.879 1.00 0.00 O ATOM 911 CB GLU A 304 171.771 0.826 -7.390 1.00 0.00 C ATOM 912 CG GLU A 304 172.731 -0.349 -7.476 1.00 0.00 C ATOM 913 CD GLU A 304 173.555 -0.338 -8.748 1.00 0.00 C ATOM 914 OE1 GLU A 304 174.521 0.450 -8.822 1.00 0.00 O ATOM 915 OE2 GLU A 304 173.234 -1.117 -9.671 1.00 0.00 O ATOM 0 H GLU A 304 169.072 2.134 -7.658 1.00 0.00 H new ATOM 0 HA GLU A 304 170.477 -0.146 -8.789 1.00 0.00 H new ATOM 0 HB2 GLU A 304 172.187 1.666 -7.946 1.00 0.00 H new ATOM 0 HB3 GLU A 304 171.689 1.142 -6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 304 173.399 -0.331 -6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 304 172.166 -1.280 -7.422 1.00 0.00 H new ATOM 922 N ILE A 305 169.282 -1.485 -7.026 1.00 0.00 N ATOM 923 CA ILE A 305 168.486 -2.234 -6.049 1.00 0.00 C ATOM 924 C ILE A 305 169.367 -2.849 -4.972 1.00 0.00 C ATOM 925 O ILE A 305 170.443 -3.372 -5.260 1.00 0.00 O ATOM 926 CB ILE A 305 167.658 -3.373 -6.693 1.00 0.00 C ATOM 927 CG1 ILE A 305 167.268 -3.032 -8.130 1.00 0.00 C ATOM 928 CG2 ILE A 305 166.418 -3.666 -5.855 1.00 0.00 C ATOM 929 CD1 ILE A 305 166.275 -1.907 -8.221 1.00 0.00 C ATOM 0 H ILE A 305 169.607 -2.034 -7.822 1.00 0.00 H new ATOM 0 HA ILE A 305 167.804 -1.504 -5.614 1.00 0.00 H new ATOM 0 HB ILE A 305 168.281 -4.267 -6.722 1.00 0.00 H new ATOM 0 HG12 ILE A 305 168.164 -2.764 -8.689 1.00 0.00 H new ATOM 0 HG13 ILE A 305 166.849 -3.918 -8.606 1.00 0.00 H new ATOM 0 HG21 ILE A 305 165.846 -4.469 -6.320 1.00 0.00 H new ATOM 0 HG22 ILE A 305 166.720 -3.969 -4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 305 165.801 -2.770 -5.793 1.00 0.00 H new ATOM 0 HD11 ILE A 305 166.039 -1.714 -9.267 1.00 0.00 H new ATOM 0 HD12 ILE A 305 165.364 -2.182 -7.689 1.00 0.00 H new ATOM 0 HD13 ILE A 305 166.700 -1.009 -7.773 1.00 0.00 H new ATOM 941 N ARG A 306 168.901 -2.791 -3.728 1.00 0.00 N ATOM 942 CA ARG A 306 169.655 -3.355 -2.614 1.00 0.00 C ATOM 943 C ARG A 306 168.719 -3.857 -1.521 1.00 0.00 C ATOM 944 O ARG A 306 167.508 -3.685 -1.611 1.00 0.00 O ATOM 945 CB ARG A 306 170.633 -2.323 -2.053 1.00 0.00 C ATOM 946 CG ARG A 306 171.923 -2.224 -2.851 1.00 0.00 C ATOM 947 CD ARG A 306 173.129 -2.016 -1.949 1.00 0.00 C ATOM 948 NE ARG A 306 173.322 -3.127 -1.020 1.00 0.00 N ATOM 949 CZ ARG A 306 173.930 -4.266 -1.342 1.00 0.00 C ATOM 950 NH1 ARG A 306 174.387 -4.459 -2.573 1.00 0.00 N ATOM 951 NH2 ARG A 306 174.079 -5.216 -0.430 1.00 0.00 N ATOM 0 H ARG A 306 168.013 -2.363 -3.467 1.00 0.00 H new ATOM 0 HA ARG A 306 170.226 -4.206 -2.986 1.00 0.00 H new ATOM 0 HB2 ARG A 306 170.149 -1.346 -2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 306 170.871 -2.581 -1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 306 172.059 -3.133 -3.436 1.00 0.00 H new ATOM 0 HG3 ARG A 306 171.851 -1.398 -3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 306 174.023 -1.898 -2.562 1.00 0.00 H new ATOM 0 HD3 ARG A 306 173.004 -1.091 -1.386 1.00 0.00 H new ATOM 0 HE ARG A 306 172.970 -3.023 -0.068 1.00 0.00 H new ATOM 0 HH11 ARG A 306 174.273 -3.732 -3.279 1.00 0.00 H new ATOM 0 HH12 ARG A 306 174.852 -5.335 -2.813 1.00 0.00 H new ATOM 0 HH21 ARG A 306 173.728 -5.073 0.517 1.00 0.00 H new ATOM 0 HH22 ARG A 306 174.545 -6.090 -0.675 1.00 0.00 H new ATOM 965 N ASN A 307 169.291 -4.482 -0.495 1.00 0.00 N ATOM 966 CA ASN A 307 168.507 -5.019 0.615 1.00 0.00 C ATOM 967 C ASN A 307 168.940 -4.410 1.941 1.00 0.00 C ATOM 968 O ASN A 307 170.133 -4.329 2.235 1.00 0.00 O ATOM 969 CB ASN A 307 168.661 -6.540 0.683 1.00 0.00 C ATOM 970 CG ASN A 307 167.527 -7.268 -0.012 1.00 0.00 C ATOM 971 OD1 ASN A 307 166.678 -7.880 0.636 1.00 0.00 O ATOM 972 ND2 ASN A 307 167.507 -7.204 -1.338 1.00 0.00 N ATOM 0 H ASN A 307 170.297 -4.629 -0.409 1.00 0.00 H new ATOM 0 HA ASN A 307 167.462 -4.763 0.438 1.00 0.00 H new ATOM 0 HB2 ASN A 307 169.608 -6.827 0.226 1.00 0.00 H new ATOM 0 HB3 ASN A 307 168.704 -6.852 1.727 1.00 0.00 H new ATOM 0 HD21 ASN A 307 166.767 -7.674 -1.860 1.00 0.00 H new ATOM 0 HD22 ASN A 307 168.231 -6.685 -1.835 1.00 0.00 H new ATOM 979 N THR A 308 167.966 -4.020 2.759 1.00 0.00 N ATOM 980 CA THR A 308 168.267 -3.467 4.069 1.00 0.00 C ATOM 981 C THR A 308 168.597 -4.614 5.008 1.00 0.00 C ATOM 982 O THR A 308 168.232 -5.758 4.730 1.00 0.00 O ATOM 983 CB THR A 308 167.096 -2.648 4.616 1.00 0.00 C ATOM 984 OG1 THR A 308 166.029 -3.494 4.995 1.00 0.00 O ATOM 985 CG2 THR A 308 166.557 -1.633 3.631 1.00 0.00 C ATOM 0 H THR A 308 166.972 -4.077 2.538 1.00 0.00 H new ATOM 0 HA THR A 308 169.118 -2.791 3.985 1.00 0.00 H new ATOM 0 HB THR A 308 167.497 -2.110 5.475 1.00 0.00 H new ATOM 0 HG1 THR A 308 165.415 -3.004 5.581 1.00 0.00 H new ATOM 0 HG21 THR A 308 165.729 -1.089 4.086 1.00 0.00 H new ATOM 0 HG22 THR A 308 167.347 -0.932 3.362 1.00 0.00 H new ATOM 0 HG23 THR A 308 166.206 -2.146 2.736 1.00 0.00 H new ATOM 993 N ALA A 309 169.296 -4.309 6.098 1.00 0.00 N ATOM 994 CA ALA A 309 169.719 -5.323 7.066 1.00 0.00 C ATOM 995 C ALA A 309 168.620 -6.330 7.389 1.00 0.00 C ATOM 996 O ALA A 309 168.898 -7.513 7.587 1.00 0.00 O ATOM 997 CB ALA A 309 170.189 -4.645 8.340 1.00 0.00 C ATOM 0 H ALA A 309 169.585 -3.360 6.336 1.00 0.00 H new ATOM 0 HA ALA A 309 170.536 -5.882 6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 309 170.504 -5.401 9.060 1.00 0.00 H new ATOM 0 HB2 ALA A 309 171.029 -3.988 8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 309 169.373 -4.059 8.763 1.00 0.00 H new ATOM 1003 N THR A 310 167.379 -5.874 7.436 1.00 0.00 N ATOM 1004 CA THR A 310 166.261 -6.768 7.728 1.00 0.00 C ATOM 1005 C THR A 310 165.910 -7.617 6.504 1.00 0.00 C ATOM 1006 O THR A 310 165.098 -8.538 6.587 1.00 0.00 O ATOM 1007 CB THR A 310 165.036 -5.971 8.194 1.00 0.00 C ATOM 1008 OG1 THR A 310 163.850 -6.730 8.030 1.00 0.00 O ATOM 1009 CG2 THR A 310 164.848 -4.662 7.455 1.00 0.00 C ATOM 0 H THR A 310 167.118 -4.901 7.278 1.00 0.00 H new ATOM 0 HA THR A 310 166.565 -7.436 8.534 1.00 0.00 H new ATOM 0 HB THR A 310 165.224 -5.750 9.245 1.00 0.00 H new ATOM 0 HG1 THR A 310 164.081 -7.645 7.764 1.00 0.00 H new ATOM 0 HG21 THR A 310 163.963 -4.153 7.837 1.00 0.00 H new ATOM 0 HG22 THR A 310 165.724 -4.030 7.605 1.00 0.00 H new ATOM 0 HG23 THR A 310 164.722 -4.860 6.391 1.00 0.00 H new ATOM 1017 N GLY A 311 166.519 -7.287 5.367 1.00 0.00 N ATOM 1018 CA GLY A 311 166.264 -8.000 4.136 1.00 0.00 C ATOM 1019 C GLY A 311 165.276 -7.257 3.277 1.00 0.00 C ATOM 1020 O GLY A 311 164.729 -7.807 2.321 1.00 0.00 O ATOM 0 H GLY A 311 167.193 -6.526 5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 311 167.197 -8.135 3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 311 165.880 -8.995 4.361 1.00 0.00 H new ATOM 1024 N ARG A 312 165.025 -6.003 3.638 1.00 0.00 N ATOM 1025 CA ARG A 312 164.065 -5.190 2.903 1.00 0.00 C ATOM 1026 C ARG A 312 164.728 -4.456 1.757 1.00 0.00 C ATOM 1027 O ARG A 312 165.546 -3.558 1.954 1.00 0.00 O ATOM 1028 CB ARG A 312 163.353 -4.204 3.831 1.00 0.00 C ATOM 1029 CG ARG A 312 162.258 -4.847 4.668 1.00 0.00 C ATOM 1030 CD ARG A 312 160.938 -4.105 4.536 1.00 0.00 C ATOM 1031 NE ARG A 312 160.305 -3.887 5.835 1.00 0.00 N ATOM 1032 CZ ARG A 312 159.067 -4.276 6.141 1.00 0.00 C ATOM 1033 NH1 ARG A 312 158.314 -4.908 5.248 1.00 0.00 N ATOM 1034 NH2 ARG A 312 158.582 -4.032 7.350 1.00 0.00 N ATOM 0 H ARG A 312 165.468 -5.532 4.427 1.00 0.00 H new ATOM 0 HA ARG A 312 163.319 -5.865 2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 312 164.087 -3.747 4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 312 162.920 -3.402 3.234 1.00 0.00 H new ATOM 0 HG2 ARG A 312 162.125 -5.884 4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 312 162.563 -4.864 5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 312 161.108 -3.145 4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 312 160.264 -4.673 3.894 1.00 0.00 H new ATOM 0 HE ARG A 312 160.845 -3.406 6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 312 158.681 -5.101 4.316 1.00 0.00 H new ATOM 0 HH12 ARG A 312 157.368 -5.201 5.494 1.00 0.00 H new ATOM 0 HH21 ARG A 312 159.155 -3.549 8.041 1.00 0.00 H new ATOM 0 HH22 ARG A 312 157.635 -4.328 7.589 1.00 0.00 H new ATOM 1048 N VAL A 313 164.368 -4.866 0.556 1.00 0.00 N ATOM 1049 CA VAL A 313 164.907 -4.290 -0.649 1.00 0.00 C ATOM 1050 C VAL A 313 164.444 -2.854 -0.852 1.00 0.00 C ATOM 1051 O VAL A 313 163.341 -2.472 -0.460 1.00 0.00 O ATOM 1052 CB VAL A 313 164.498 -5.110 -1.882 1.00 0.00 C ATOM 1053 CG1 VAL A 313 162.996 -5.313 -1.910 1.00 0.00 C ATOM 1054 CG2 VAL A 313 164.950 -4.418 -3.143 1.00 0.00 C ATOM 0 H VAL A 313 163.691 -5.611 0.394 1.00 0.00 H new ATOM 0 HA VAL A 313 165.991 -4.301 -0.535 1.00 0.00 H new ATOM 0 HB VAL A 313 164.981 -6.086 -1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 313 162.724 -5.896 -2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 313 162.684 -5.845 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 313 162.499 -4.344 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 313 164.654 -5.010 -4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 313 164.489 -3.432 -3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 313 166.035 -4.311 -3.131 1.00 0.00 H new ATOM 1064 N TYR A 314 165.307 -2.077 -1.488 1.00 0.00 N ATOM 1065 CA TYR A 314 165.042 -0.685 -1.790 1.00 0.00 C ATOM 1066 C TYR A 314 165.689 -0.332 -3.133 1.00 0.00 C ATOM 1067 O TYR A 314 165.966 -1.220 -3.943 1.00 0.00 O ATOM 1068 CB TYR A 314 165.579 0.208 -0.667 1.00 0.00 C ATOM 1069 CG TYR A 314 167.051 0.018 -0.380 1.00 0.00 C ATOM 1070 CD1 TYR A 314 167.496 -1.059 0.374 1.00 0.00 C ATOM 1071 CD2 TYR A 314 167.994 0.921 -0.856 1.00 0.00 C ATOM 1072 CE1 TYR A 314 168.839 -1.233 0.645 1.00 0.00 C ATOM 1073 CE2 TYR A 314 169.339 0.753 -0.589 1.00 0.00 C ATOM 1074 CZ TYR A 314 169.755 -0.325 0.162 1.00 0.00 C ATOM 1075 OH TYR A 314 171.093 -0.496 0.431 1.00 0.00 O ATOM 0 H TYR A 314 166.219 -2.401 -1.811 1.00 0.00 H new ATOM 0 HA TYR A 314 163.967 -0.519 -1.863 1.00 0.00 H new ATOM 0 HB2 TYR A 314 165.403 1.251 -0.930 1.00 0.00 H new ATOM 0 HB3 TYR A 314 165.013 0.009 0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 314 166.780 -1.773 0.755 1.00 0.00 H new ATOM 0 HD2 TYR A 314 167.670 1.767 -1.444 1.00 0.00 H new ATOM 0 HE1 TYR A 314 169.169 -2.077 1.233 1.00 0.00 H new ATOM 0 HE2 TYR A 314 170.060 1.462 -0.967 1.00 0.00 H new ATOM 0 HH TYR A 314 171.605 0.230 0.017 1.00 0.00 H new ATOM 1085 N PHE A 315 165.965 0.948 -3.357 1.00 0.00 N ATOM 1086 CA PHE A 315 166.602 1.387 -4.587 1.00 0.00 C ATOM 1087 C PHE A 315 167.391 2.665 -4.335 1.00 0.00 C ATOM 1088 O PHE A 315 167.033 3.467 -3.472 1.00 0.00 O ATOM 1089 CB PHE A 315 165.564 1.617 -5.689 1.00 0.00 C ATOM 1090 CG PHE A 315 164.260 0.920 -5.440 1.00 0.00 C ATOM 1091 CD1 PHE A 315 163.258 1.550 -4.730 1.00 0.00 C ATOM 1092 CD2 PHE A 315 164.044 -0.364 -5.905 1.00 0.00 C ATOM 1093 CE1 PHE A 315 162.062 0.914 -4.487 1.00 0.00 C ATOM 1094 CE2 PHE A 315 162.850 -1.010 -5.667 1.00 0.00 C ATOM 1095 CZ PHE A 315 161.853 -0.370 -4.955 1.00 0.00 C ATOM 0 H PHE A 315 165.756 1.699 -2.699 1.00 0.00 H new ATOM 0 HA PHE A 315 167.283 0.604 -4.920 1.00 0.00 H new ATOM 0 HB2 PHE A 315 165.382 2.687 -5.787 1.00 0.00 H new ATOM 0 HB3 PHE A 315 165.974 1.275 -6.639 1.00 0.00 H new ATOM 0 HD1 PHE A 315 163.414 2.553 -4.361 1.00 0.00 H new ATOM 0 HD2 PHE A 315 164.821 -0.867 -6.462 1.00 0.00 H new ATOM 0 HE1 PHE A 315 161.286 1.418 -3.930 1.00 0.00 H new ATOM 0 HE2 PHE A 315 162.694 -2.013 -6.036 1.00 0.00 H new ATOM 0 HZ PHE A 315 160.915 -0.871 -4.765 1.00 0.00 H new ATOM 1105 N VAL A 316 168.463 2.853 -5.089 1.00 0.00 N ATOM 1106 CA VAL A 316 169.294 4.038 -4.939 1.00 0.00 C ATOM 1107 C VAL A 316 169.342 4.830 -6.237 1.00 0.00 C ATOM 1108 O VAL A 316 169.901 4.367 -7.231 1.00 0.00 O ATOM 1109 CB VAL A 316 170.728 3.668 -4.508 1.00 0.00 C ATOM 1110 CG1 VAL A 316 171.611 4.906 -4.453 1.00 0.00 C ATOM 1111 CG2 VAL A 316 170.708 2.955 -3.162 1.00 0.00 C ATOM 0 H VAL A 316 168.778 2.203 -5.809 1.00 0.00 H new ATOM 0 HA VAL A 316 168.845 4.653 -4.159 1.00 0.00 H new ATOM 0 HB VAL A 316 171.148 2.989 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 316 172.618 4.622 -4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 316 171.649 5.370 -5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 316 171.200 5.615 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 316 171.727 2.700 -2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 316 170.268 3.610 -2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 316 170.114 2.044 -3.241 1.00 0.00 H new ATOM 1121 N ASP A 317 168.753 6.024 -6.217 1.00 0.00 N ATOM 1122 CA ASP A 317 168.727 6.887 -7.396 1.00 0.00 C ATOM 1123 C ASP A 317 169.864 7.896 -7.346 1.00 0.00 C ATOM 1124 O ASP A 317 169.925 8.736 -6.449 1.00 0.00 O ATOM 1125 CB ASP A 317 167.384 7.618 -7.530 1.00 0.00 C ATOM 1126 CG ASP A 317 166.662 7.793 -6.207 1.00 0.00 C ATOM 1127 OD1 ASP A 317 166.306 6.770 -5.587 1.00 0.00 O ATOM 1128 OD2 ASP A 317 166.456 8.952 -5.792 1.00 0.00 O ATOM 0 H ASP A 317 168.288 6.416 -5.398 1.00 0.00 H new ATOM 0 HA ASP A 317 168.854 6.249 -8.270 1.00 0.00 H new ATOM 0 HB2 ASP A 317 167.554 8.598 -7.976 1.00 0.00 H new ATOM 0 HB3 ASP A 317 166.743 7.063 -8.215 1.00 0.00 H new ATOM 1133 N HIS A 318 170.778 7.789 -8.300 1.00 0.00 N ATOM 1134 CA HIS A 318 171.936 8.668 -8.355 1.00 0.00 C ATOM 1135 C HIS A 318 171.627 10.003 -9.028 1.00 0.00 C ATOM 1136 O HIS A 318 172.486 10.882 -9.094 1.00 0.00 O ATOM 1137 CB HIS A 318 173.074 7.952 -9.080 1.00 0.00 C ATOM 1138 CG HIS A 318 173.462 6.679 -8.400 1.00 0.00 C ATOM 1139 ND1 HIS A 318 173.592 6.586 -7.036 1.00 0.00 N ATOM 1140 CD2 HIS A 318 173.724 5.442 -8.888 1.00 0.00 C ATOM 1141 CE1 HIS A 318 173.918 5.353 -6.706 1.00 0.00 C ATOM 1142 NE2 HIS A 318 174.007 4.636 -7.812 1.00 0.00 N ATOM 0 H HIS A 318 170.739 7.098 -9.050 1.00 0.00 H new ATOM 0 HA HIS A 318 172.231 8.899 -7.332 1.00 0.00 H new ATOM 0 HB2 HIS A 318 172.772 7.737 -10.105 1.00 0.00 H new ATOM 0 HB3 HIS A 318 173.940 8.612 -9.135 1.00 0.00 H new ATOM 0 HD2 HIS A 318 173.712 5.146 -9.927 1.00 0.00 H new ATOM 0 HE1 HIS A 318 174.084 4.990 -5.702 1.00 0.00 H new ATOM 0 HE2 HIS A 318 174.247 3.646 -7.859 1.00 0.00 H new ATOM 1151 N ASN A 319 170.403 10.163 -9.518 1.00 0.00 N ATOM 1152 CA ASN A 319 170.014 11.413 -10.168 1.00 0.00 C ATOM 1153 C ASN A 319 169.971 12.544 -9.147 1.00 0.00 C ATOM 1154 O ASN A 319 170.449 13.648 -9.406 1.00 0.00 O ATOM 1155 CB ASN A 319 168.655 11.292 -10.878 1.00 0.00 C ATOM 1156 CG ASN A 319 167.745 10.237 -10.275 1.00 0.00 C ATOM 1157 OD1 ASN A 319 166.907 10.535 -9.425 1.00 0.00 O ATOM 1158 ND2 ASN A 319 167.904 8.996 -10.720 1.00 0.00 N ATOM 0 H ASN A 319 169.670 9.454 -9.480 1.00 0.00 H new ATOM 0 HA ASN A 319 170.764 11.636 -10.927 1.00 0.00 H new ATOM 0 HB2 ASN A 319 168.150 12.257 -10.844 1.00 0.00 H new ATOM 0 HB3 ASN A 319 168.823 11.057 -11.929 1.00 0.00 H new ATOM 0 HD21 ASN A 319 167.318 8.245 -10.356 1.00 0.00 H new ATOM 0 HD22 ASN A 319 168.612 8.794 -11.426 1.00 0.00 H new ATOM 1165 N ASN A 320 169.402 12.257 -7.981 1.00 0.00 N ATOM 1166 CA ASN A 320 169.305 13.244 -6.911 1.00 0.00 C ATOM 1167 C ASN A 320 170.089 12.791 -5.680 1.00 0.00 C ATOM 1168 O ASN A 320 169.895 13.317 -4.585 1.00 0.00 O ATOM 1169 CB ASN A 320 167.839 13.479 -6.538 1.00 0.00 C ATOM 1170 CG ASN A 320 167.104 12.184 -6.251 1.00 0.00 C ATOM 1171 OD1 ASN A 320 166.516 12.088 -5.065 1.00 0.00 O flip ATOM 1172 ND2 ASN A 320 167.067 11.281 -7.085 1.00 0.00 N flip ATOM 0 H ASN A 320 169.000 11.348 -7.752 1.00 0.00 H new ATOM 0 HA ASN A 320 169.736 14.178 -7.271 1.00 0.00 H new ATOM 0 HB2 ASN A 320 167.788 14.125 -5.661 1.00 0.00 H new ATOM 0 HB3 ASN A 320 167.339 14.005 -7.351 1.00 0.00 H new ATOM 0 HD21 ASN A 320 167.533 11.398 -7.984 1.00 0.00 H new ATOM 0 HD22 ASN A 320 166.570 10.415 -6.877 1.00 0.00 H new ATOM 1179 N ARG A 321 170.973 11.811 -5.873 1.00 0.00 N ATOM 1180 CA ARG A 321 171.797 11.269 -4.792 1.00 0.00 C ATOM 1181 C ARG A 321 170.972 10.968 -3.540 1.00 0.00 C ATOM 1182 O ARG A 321 171.029 11.710 -2.559 1.00 0.00 O ATOM 1183 CB ARG A 321 172.948 12.226 -4.447 1.00 0.00 C ATOM 1184 CG ARG A 321 172.531 13.678 -4.269 1.00 0.00 C ATOM 1185 CD ARG A 321 173.703 14.539 -3.829 1.00 0.00 C ATOM 1186 NE ARG A 321 173.268 15.726 -3.093 1.00 0.00 N ATOM 1187 CZ ARG A 321 173.681 16.042 -1.864 1.00 0.00 C ATOM 1188 NH1 ARG A 321 174.540 15.264 -1.215 1.00 0.00 N ATOM 1189 NH2 ARG A 321 173.232 17.145 -1.281 1.00 0.00 N ATOM 0 H ARG A 321 171.137 11.372 -6.779 1.00 0.00 H new ATOM 0 HA ARG A 321 172.214 10.328 -5.152 1.00 0.00 H new ATOM 0 HB2 ARG A 321 173.425 11.883 -3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 321 173.698 12.171 -5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 321 172.128 14.060 -5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 321 171.733 13.741 -3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 321 174.371 13.948 -3.202 1.00 0.00 H new ATOM 0 HD3 ARG A 321 174.276 14.845 -4.704 1.00 0.00 H new ATOM 0 HE ARG A 321 172.606 16.353 -3.549 1.00 0.00 H new ATOM 0 HH11 ARG A 321 174.892 14.414 -1.656 1.00 0.00 H new ATOM 0 HH12 ARG A 321 174.848 15.517 -0.276 1.00 0.00 H new ATOM 0 HH21 ARG A 321 172.573 17.749 -1.772 1.00 0.00 H new ATOM 0 HH22 ARG A 321 173.546 17.389 -0.342 1.00 0.00 H new ATOM 1203 N THR A 322 170.203 9.877 -3.580 1.00 0.00 N ATOM 1204 CA THR A 322 169.364 9.487 -2.444 1.00 0.00 C ATOM 1205 C THR A 322 169.026 7.997 -2.484 1.00 0.00 C ATOM 1206 O THR A 322 169.295 7.310 -3.470 1.00 0.00 O ATOM 1207 CB THR A 322 168.060 10.281 -2.446 1.00 0.00 C ATOM 1208 OG1 THR A 322 167.178 9.789 -3.440 1.00 0.00 O ATOM 1209 CG2 THR A 322 168.244 11.760 -2.695 1.00 0.00 C ATOM 0 H THR A 322 170.144 9.251 -4.383 1.00 0.00 H new ATOM 0 HA THR A 322 169.931 9.700 -1.538 1.00 0.00 H new ATOM 0 HB THR A 322 167.651 10.152 -1.444 1.00 0.00 H new ATOM 0 HG1 THR A 322 166.910 10.523 -4.032 1.00 0.00 H new ATOM 0 HG21 THR A 322 167.273 12.255 -2.681 1.00 0.00 H new ATOM 0 HG22 THR A 322 168.878 12.184 -1.916 1.00 0.00 H new ATOM 0 HG23 THR A 322 168.714 11.910 -3.667 1.00 0.00 H new ATOM 1217 N THR A 323 168.390 7.521 -1.416 1.00 0.00 N ATOM 1218 CA THR A 323 167.959 6.128 -1.325 1.00 0.00 C ATOM 1219 C THR A 323 166.442 6.094 -1.196 1.00 0.00 C ATOM 1220 O THR A 323 165.870 6.832 -0.398 1.00 0.00 O ATOM 1221 CB THR A 323 168.615 5.435 -0.131 1.00 0.00 C ATOM 1222 OG1 THR A 323 168.414 6.182 1.057 1.00 0.00 O ATOM 1223 CG2 THR A 323 170.106 5.239 -0.305 1.00 0.00 C ATOM 0 H THR A 323 168.161 8.084 -0.597 1.00 0.00 H new ATOM 0 HA THR A 323 168.263 5.593 -2.225 1.00 0.00 H new ATOM 0 HB THR A 323 168.139 4.457 -0.064 1.00 0.00 H new ATOM 0 HG1 THR A 323 168.933 5.783 1.786 1.00 0.00 H new ATOM 0 HG21 THR A 323 170.513 4.742 0.576 1.00 0.00 H new ATOM 0 HG22 THR A 323 170.292 4.625 -1.186 1.00 0.00 H new ATOM 0 HG23 THR A 323 170.588 6.208 -0.430 1.00 0.00 H new ATOM 1231 N GLN A 324 165.787 5.277 -2.011 1.00 0.00 N ATOM 1232 CA GLN A 324 164.333 5.219 -2.010 1.00 0.00 C ATOM 1233 C GLN A 324 163.771 3.926 -1.425 1.00 0.00 C ATOM 1234 O GLN A 324 164.480 2.945 -1.222 1.00 0.00 O ATOM 1235 CB GLN A 324 163.812 5.434 -3.426 1.00 0.00 C ATOM 1236 CG GLN A 324 163.610 6.900 -3.777 1.00 0.00 C ATOM 1237 CD GLN A 324 162.158 7.327 -3.670 1.00 0.00 C ATOM 1238 OE1 GLN A 324 161.666 7.629 -2.583 1.00 0.00 O ATOM 1239 NE2 GLN A 324 161.463 7.353 -4.801 1.00 0.00 N ATOM 0 H GLN A 324 166.237 4.649 -2.677 1.00 0.00 H new ATOM 0 HA GLN A 324 163.986 6.018 -1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 324 164.512 4.991 -4.134 1.00 0.00 H new ATOM 0 HB3 GLN A 324 162.865 4.906 -3.541 1.00 0.00 H new ATOM 0 HG2 GLN A 324 164.217 7.516 -3.114 1.00 0.00 H new ATOM 0 HG3 GLN A 324 163.965 7.080 -4.792 1.00 0.00 H new ATOM 0 HE21 GLN A 324 161.910 7.095 -5.681 1.00 0.00 H new ATOM 0 HE22 GLN A 324 160.482 7.631 -4.790 1.00 0.00 H new ATOM 1248 N PHE A 325 162.468 3.964 -1.177 1.00 0.00 N ATOM 1249 CA PHE A 325 161.736 2.825 -0.629 1.00 0.00 C ATOM 1250 C PHE A 325 160.704 2.331 -1.637 1.00 0.00 C ATOM 1251 O PHE A 325 160.671 1.148 -1.974 1.00 0.00 O ATOM 1252 CB PHE A 325 161.054 3.222 0.684 1.00 0.00 C ATOM 1253 CG PHE A 325 160.876 2.099 1.673 1.00 0.00 C ATOM 1254 CD1 PHE A 325 161.570 0.901 1.544 1.00 0.00 C ATOM 1255 CD2 PHE A 325 160.008 2.251 2.742 1.00 0.00 C ATOM 1256 CE1 PHE A 325 161.399 -0.118 2.462 1.00 0.00 C ATOM 1257 CE2 PHE A 325 159.834 1.234 3.662 1.00 0.00 C ATOM 1258 CZ PHE A 325 160.530 0.049 3.522 1.00 0.00 C ATOM 0 H PHE A 325 161.887 4.785 -1.349 1.00 0.00 H new ATOM 0 HA PHE A 325 162.438 2.016 -0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 325 161.638 4.012 1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 325 160.075 3.643 0.455 1.00 0.00 H new ATOM 0 HD1 PHE A 325 162.251 0.765 0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 325 159.461 3.175 2.858 1.00 0.00 H new ATOM 0 HE1 PHE A 325 161.944 -1.044 2.350 1.00 0.00 H new ATOM 0 HE2 PHE A 325 159.154 1.366 4.490 1.00 0.00 H new ATOM 0 HZ PHE A 325 160.395 -0.746 4.241 1.00 0.00 H new ATOM 1268 N THR A 326 159.875 3.250 -2.129 1.00 0.00 N ATOM 1269 CA THR A 326 158.861 2.912 -3.121 1.00 0.00 C ATOM 1270 C THR A 326 159.500 2.888 -4.504 1.00 0.00 C ATOM 1271 O THR A 326 160.431 3.648 -4.771 1.00 0.00 O ATOM 1272 CB THR A 326 157.715 3.928 -3.087 1.00 0.00 C ATOM 1273 OG1 THR A 326 157.488 4.384 -1.765 1.00 0.00 O ATOM 1274 CG2 THR A 326 156.406 3.378 -3.614 1.00 0.00 C ATOM 0 H THR A 326 159.887 4.233 -1.856 1.00 0.00 H new ATOM 0 HA THR A 326 158.451 1.929 -2.891 1.00 0.00 H new ATOM 0 HB THR A 326 158.034 4.742 -3.738 1.00 0.00 H new ATOM 0 HG1 THR A 326 156.524 4.466 -1.608 1.00 0.00 H new ATOM 0 HG21 THR A 326 155.639 4.151 -3.561 1.00 0.00 H new ATOM 0 HG22 THR A 326 156.534 3.065 -4.650 1.00 0.00 H new ATOM 0 HG23 THR A 326 156.102 2.522 -3.011 1.00 0.00 H new ATOM 1282 N ASP A 327 159.025 2.008 -5.377 1.00 0.00 N ATOM 1283 CA ASP A 327 159.584 1.892 -6.720 1.00 0.00 C ATOM 1284 C ASP A 327 159.313 3.139 -7.555 1.00 0.00 C ATOM 1285 O ASP A 327 158.433 3.938 -7.233 1.00 0.00 O ATOM 1286 CB ASP A 327 159.003 0.664 -7.425 1.00 0.00 C ATOM 1287 CG ASP A 327 159.776 -0.601 -7.111 1.00 0.00 C ATOM 1288 OD1 ASP A 327 160.917 -0.736 -7.598 1.00 0.00 O ATOM 1289 OD2 ASP A 327 159.239 -1.456 -6.376 1.00 0.00 O ATOM 0 H ASP A 327 158.257 1.366 -5.181 1.00 0.00 H new ATOM 0 HA ASP A 327 160.664 1.783 -6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 327 157.963 0.535 -7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 327 159.007 0.831 -8.502 1.00 0.00 H new ATOM 1294 N PRO A 328 160.074 3.316 -8.650 1.00 0.00 N ATOM 1295 CA PRO A 328 159.921 4.464 -9.540 1.00 0.00 C ATOM 1296 C PRO A 328 158.725 4.324 -10.481 1.00 0.00 C ATOM 1297 O PRO A 328 158.161 5.321 -10.934 1.00 0.00 O ATOM 1298 CB PRO A 328 161.230 4.474 -10.329 1.00 0.00 C ATOM 1299 CG PRO A 328 161.701 3.060 -10.335 1.00 0.00 C ATOM 1300 CD PRO A 328 161.143 2.403 -9.098 1.00 0.00 C ATOM 0 HA PRO A 328 159.732 5.385 -8.988 1.00 0.00 H new ATOM 0 HB2 PRO A 328 161.074 4.840 -11.344 1.00 0.00 H new ATOM 0 HB3 PRO A 328 161.965 5.131 -9.863 1.00 0.00 H new ATOM 0 HG2 PRO A 328 161.360 2.544 -11.233 1.00 0.00 H new ATOM 0 HG3 PRO A 328 162.790 3.017 -10.337 1.00 0.00 H new ATOM 0 HD2 PRO A 328 160.751 1.410 -9.318 1.00 0.00 H new ATOM 0 HD3 PRO A 328 161.909 2.282 -8.332 1.00 0.00 H new ATOM 1308 N ARG A 329 158.329 3.084 -10.755 1.00 0.00 N ATOM 1309 CA ARG A 329 157.185 2.815 -11.623 1.00 0.00 C ATOM 1310 C ARG A 329 155.928 2.493 -10.819 1.00 0.00 C ATOM 1311 O ARG A 329 154.811 2.684 -11.301 1.00 0.00 O ATOM 1312 CB ARG A 329 157.488 1.668 -12.581 1.00 0.00 C ATOM 1313 CG ARG A 329 158.057 0.453 -11.889 1.00 0.00 C ATOM 1314 CD ARG A 329 159.573 0.506 -11.830 1.00 0.00 C ATOM 1315 NE ARG A 329 160.182 0.395 -13.155 1.00 0.00 N ATOM 1316 CZ ARG A 329 160.547 1.441 -13.898 1.00 0.00 C ATOM 1317 NH1 ARG A 329 160.362 2.680 -13.459 1.00 0.00 N ATOM 1318 NH2 ARG A 329 161.095 1.247 -15.089 1.00 0.00 N ATOM 0 H ARG A 329 158.784 2.248 -10.388 1.00 0.00 H new ATOM 0 HA ARG A 329 157.001 3.723 -12.197 1.00 0.00 H new ATOM 0 HB2 ARG A 329 156.573 1.387 -13.102 1.00 0.00 H new ATOM 0 HB3 ARG A 329 158.193 2.011 -13.338 1.00 0.00 H new ATOM 0 HG2 ARG A 329 157.655 0.387 -10.878 1.00 0.00 H new ATOM 0 HG3 ARG A 329 157.744 -0.448 -12.417 1.00 0.00 H new ATOM 0 HD2 ARG A 329 159.884 1.442 -11.366 1.00 0.00 H new ATOM 0 HD3 ARG A 329 159.939 -0.301 -11.195 1.00 0.00 H new ATOM 0 HE ARG A 329 160.337 -0.539 -13.534 1.00 0.00 H new ATOM 0 HH11 ARG A 329 159.937 2.839 -12.545 1.00 0.00 H new ATOM 0 HH12 ARG A 329 160.645 3.473 -14.035 1.00 0.00 H new ATOM 0 HH21 ARG A 329 161.237 0.299 -15.437 1.00 0.00 H new ATOM 0 HH22 ARG A 329 161.374 2.046 -15.658 1.00 0.00 H new ATOM 1332 N LEU A 330 156.117 1.952 -9.612 1.00 0.00 N ATOM 1333 CA LEU A 330 154.998 1.542 -8.759 1.00 0.00 C ATOM 1334 C LEU A 330 153.832 2.522 -8.822 1.00 0.00 C ATOM 1335 O LEU A 330 152.759 2.188 -9.326 1.00 0.00 O ATOM 1336 CB LEU A 330 155.472 1.390 -7.316 1.00 0.00 C ATOM 1337 CG LEU A 330 155.492 -0.046 -6.789 1.00 0.00 C ATOM 1338 CD1 LEU A 330 156.158 -0.987 -7.788 1.00 0.00 C ATOM 1339 CD2 LEU A 330 156.204 -0.092 -5.452 1.00 0.00 C ATOM 0 H LEU A 330 157.037 1.788 -9.203 1.00 0.00 H new ATOM 0 HA LEU A 330 154.638 0.584 -9.134 1.00 0.00 H new ATOM 0 HB2 LEU A 330 156.477 1.805 -7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 330 154.827 1.988 -6.673 1.00 0.00 H new ATOM 0 HG LEU A 330 154.464 -0.382 -6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 330 156.159 -2.001 -7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 330 155.607 -0.968 -8.728 1.00 0.00 H new ATOM 0 HD13 LEU A 330 157.185 -0.665 -7.962 1.00 0.00 H new ATOM 0 HD21 LEU A 330 156.216 -1.117 -5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 330 157.228 0.262 -5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 330 155.681 0.546 -4.739 1.00 0.00 H new ATOM 1351 N SER A 331 154.051 3.725 -8.307 1.00 0.00 N ATOM 1352 CA SER A 331 153.023 4.770 -8.297 1.00 0.00 C ATOM 1353 C SER A 331 152.158 4.734 -9.560 1.00 0.00 C ATOM 1354 O SER A 331 150.964 5.030 -9.511 1.00 0.00 O ATOM 1355 CB SER A 331 153.674 6.147 -8.157 1.00 0.00 C ATOM 1356 OG SER A 331 152.710 7.135 -7.833 1.00 0.00 O ATOM 0 H SER A 331 154.937 4.007 -7.887 1.00 0.00 H new ATOM 0 HA SER A 331 152.374 4.581 -7.442 1.00 0.00 H new ATOM 0 HB2 SER A 331 154.440 6.114 -7.382 1.00 0.00 H new ATOM 0 HB3 SER A 331 154.174 6.413 -9.088 1.00 0.00 H new ATOM 0 HG SER A 331 152.235 7.408 -8.646 1.00 0.00 H new ATOM 1497 N SER B 206 162.865 2.923 10.342 1.00 0.00 N ATOM 1498 CA SER B 206 163.738 3.470 9.303 1.00 0.00 C ATOM 1499 C SER B 206 164.515 2.376 8.565 1.00 0.00 C ATOM 1500 O SER B 206 165.655 2.068 8.910 1.00 0.00 O ATOM 1501 CB SER B 206 164.716 4.471 9.919 1.00 0.00 C ATOM 1502 OG SER B 206 164.909 5.587 9.068 1.00 0.00 O ATOM 0 HA SER B 206 163.102 3.971 8.574 1.00 0.00 H new ATOM 0 HB2 SER B 206 164.337 4.807 10.884 1.00 0.00 H new ATOM 0 HB3 SER B 206 165.672 3.982 10.105 1.00 0.00 H new ATOM 0 HG SER B 206 165.538 6.212 9.486 1.00 0.00 H new ATOM 1508 N PRO B 207 163.891 1.773 7.533 1.00 0.00 N ATOM 1509 CA PRO B 207 164.496 0.707 6.730 1.00 0.00 C ATOM 1510 C PRO B 207 165.510 1.201 5.676 1.00 0.00 C ATOM 1511 O PRO B 207 166.696 0.887 5.784 1.00 0.00 O ATOM 1512 CB PRO B 207 163.294 0.039 6.048 1.00 0.00 C ATOM 1513 CG PRO B 207 162.076 0.707 6.598 1.00 0.00 C ATOM 1514 CD PRO B 207 162.523 2.045 7.100 1.00 0.00 C ATOM 0 HA PRO B 207 165.083 0.040 7.361 1.00 0.00 H new ATOM 0 HB2 PRO B 207 163.346 0.156 4.966 1.00 0.00 H new ATOM 0 HB3 PRO B 207 163.276 -1.032 6.252 1.00 0.00 H new ATOM 0 HG2 PRO B 207 161.311 0.816 5.829 1.00 0.00 H new ATOM 0 HG3 PRO B 207 161.638 0.116 7.402 1.00 0.00 H new ATOM 0 HD2 PRO B 207 162.487 2.805 6.320 1.00 0.00 H new ATOM 0 HD3 PRO B 207 161.900 2.401 7.920 1.00 0.00 H new ATOM 1522 N PRO B 208 165.086 1.965 4.629 1.00 0.00 N ATOM 1523 CA PRO B 208 166.015 2.443 3.592 1.00 0.00 C ATOM 1524 C PRO B 208 167.260 3.112 4.170 1.00 0.00 C ATOM 1525 O PRO B 208 167.165 4.148 4.823 1.00 0.00 O ATOM 1526 CB PRO B 208 165.185 3.465 2.812 1.00 0.00 C ATOM 1527 CG PRO B 208 163.781 3.002 2.970 1.00 0.00 C ATOM 1528 CD PRO B 208 163.702 2.417 4.355 1.00 0.00 C ATOM 0 HA PRO B 208 166.393 1.619 2.987 1.00 0.00 H new ATOM 0 HB2 PRO B 208 165.318 4.471 3.210 1.00 0.00 H new ATOM 0 HB3 PRO B 208 165.477 3.496 1.762 1.00 0.00 H new ATOM 0 HG2 PRO B 208 163.080 3.828 2.853 1.00 0.00 H new ATOM 0 HG3 PRO B 208 163.526 2.258 2.215 1.00 0.00 H new ATOM 0 HD2 PRO B 208 163.372 3.158 5.083 1.00 0.00 H new ATOM 0 HD3 PRO B 208 162.995 1.589 4.399 1.00 0.00 H new ATOM 1536 N PRO B 209 168.453 2.537 3.930 1.00 0.00 N ATOM 1537 CA PRO B 209 169.709 3.098 4.428 1.00 0.00 C ATOM 1538 C PRO B 209 170.118 4.355 3.658 1.00 0.00 C ATOM 1539 O PRO B 209 170.228 4.324 2.433 1.00 0.00 O ATOM 1540 CB PRO B 209 170.737 1.978 4.196 1.00 0.00 C ATOM 1541 CG PRO B 209 169.953 0.783 3.757 1.00 0.00 C ATOM 1542 CD PRO B 209 168.682 1.310 3.160 1.00 0.00 C ATOM 0 HA PRO B 209 169.628 3.402 5.472 1.00 0.00 H new ATOM 0 HB2 PRO B 209 171.465 2.267 3.438 1.00 0.00 H new ATOM 0 HB3 PRO B 209 171.295 1.765 5.108 1.00 0.00 H new ATOM 0 HG2 PRO B 209 170.512 0.198 3.027 1.00 0.00 H new ATOM 0 HG3 PRO B 209 169.743 0.125 4.600 1.00 0.00 H new ATOM 0 HD2 PRO B 209 168.788 1.514 2.095 1.00 0.00 H new ATOM 0 HD3 PRO B 209 167.859 0.603 3.269 1.00 0.00 H new ATOM 1550 N PRO B 210 170.336 5.482 4.369 1.00 0.00 N ATOM 1551 CA PRO B 210 170.727 6.762 3.765 1.00 0.00 C ATOM 1552 C PRO B 210 171.632 6.628 2.534 1.00 0.00 C ATOM 1553 O PRO B 210 172.190 5.564 2.264 1.00 0.00 O ATOM 1554 CB PRO B 210 171.463 7.441 4.905 1.00 0.00 C ATOM 1555 CG PRO B 210 170.766 6.972 6.140 1.00 0.00 C ATOM 1556 CD PRO B 210 170.198 5.606 5.833 1.00 0.00 C ATOM 0 HA PRO B 210 169.865 7.307 3.381 1.00 0.00 H new ATOM 0 HB2 PRO B 210 172.517 7.164 4.916 1.00 0.00 H new ATOM 0 HB3 PRO B 210 171.419 8.526 4.814 1.00 0.00 H new ATOM 0 HG2 PRO B 210 171.460 6.922 6.979 1.00 0.00 H new ATOM 0 HG3 PRO B 210 169.973 7.665 6.423 1.00 0.00 H new ATOM 0 HD2 PRO B 210 170.745 4.820 6.353 1.00 0.00 H new ATOM 0 HD3 PRO B 210 169.156 5.528 6.144 1.00 0.00 H new ATOM 1564 N TYR B 211 171.719 7.713 1.762 1.00 0.00 N ATOM 1565 CA TYR B 211 172.487 7.730 0.516 1.00 0.00 C ATOM 1566 C TYR B 211 173.942 8.209 0.645 1.00 0.00 C ATOM 1567 O TYR B 211 174.279 9.086 1.436 1.00 0.00 O ATOM 1568 CB TYR B 211 171.767 8.601 -0.508 1.00 0.00 C ATOM 1569 CG TYR B 211 172.474 8.677 -1.839 1.00 0.00 C ATOM 1570 CD1 TYR B 211 173.487 9.601 -2.058 1.00 0.00 C ATOM 1571 CD2 TYR B 211 172.126 7.826 -2.873 1.00 0.00 C ATOM 1572 CE1 TYR B 211 174.134 9.671 -3.276 1.00 0.00 C ATOM 1573 CE2 TYR B 211 172.765 7.889 -4.093 1.00 0.00 C ATOM 1574 CZ TYR B 211 173.769 8.813 -4.290 1.00 0.00 C ATOM 1575 OH TYR B 211 174.406 8.886 -5.505 1.00 0.00 O ATOM 0 H TYR B 211 171.263 8.599 1.981 1.00 0.00 H new ATOM 0 HA TYR B 211 172.547 6.688 0.201 1.00 0.00 H new ATOM 0 HB2 TYR B 211 170.761 8.210 -0.662 1.00 0.00 H new ATOM 0 HB3 TYR B 211 171.660 9.608 -0.105 1.00 0.00 H new ATOM 0 HD1 TYR B 211 173.773 10.275 -1.264 1.00 0.00 H new ATOM 0 HD2 TYR B 211 171.341 7.100 -2.722 1.00 0.00 H new ATOM 0 HE1 TYR B 211 174.921 10.394 -3.433 1.00 0.00 H new ATOM 0 HE2 TYR B 211 172.481 7.218 -4.890 1.00 0.00 H new ATOM 0 HH TYR B 211 174.078 8.172 -6.090 1.00 0.00 H new ATOM 1585 N SER B 212 174.782 7.599 -0.188 1.00 0.00 N ATOM 1586 CA SER B 212 176.210 7.922 -0.238 1.00 0.00 C ATOM 1587 C SER B 212 176.876 7.400 -1.509 1.00 0.00 C ATOM 1588 O SER B 212 178.055 7.043 -1.493 1.00 0.00 O ATOM 1589 CB SER B 212 176.921 7.350 0.991 1.00 0.00 C ATOM 1590 OG SER B 212 177.094 8.341 1.989 1.00 0.00 O ATOM 0 H SER B 212 174.497 6.872 -0.844 1.00 0.00 H new ATOM 0 HA SER B 212 176.296 9.009 -0.243 1.00 0.00 H new ATOM 0 HB2 SER B 212 176.343 6.519 1.396 1.00 0.00 H new ATOM 0 HB3 SER B 212 177.892 6.950 0.699 1.00 0.00 H new ATOM 0 HG SER B 212 176.273 8.871 2.070 1.00 0.00 H new