USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 478 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 307 HIS : no HD1:sc= -0.0691 X(o=-0.069,f=-0.26) USER MOD Single : A 308 ASN : amide:sc= -1.83 K(o=-1.8,f=-0.054) USER MOD Single : A 311 SER OG : rot 180:sc= 0 USER MOD Single : A 313 SER OG : rot 180:sc= -0.0635 USER MOD Single : A 314 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 316 TYR OH : rot 180:sc= 0 USER MOD Single : A 317 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 318 ASN : amide:sc= -1.32 X(o=-1.3,f=-0.84) USER MOD Single : A 320 THR OG1 : rot 53:sc= 0.247 USER MOD Single : A 334 LYS NZ :NH3+ -160:sc= -0.004 (180deg=-0.148) USER MOD Single : A 337 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 SER OG : rot 180:sc=-0.00213 USER MOD Single : A 341 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.057) USER MOD Single : A 342 MET CE :methyl 140:sc= -2.79 (180deg=-8.24!) USER MOD Single : A 344 THR OG1 : rot 180:sc= 0 USER MOD Single : A 348 MET CE :methyl 179:sc= -1.92 (180deg=-1.99) USER MOD Single : A 349 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 354 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 360 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD ----------------------------------------------------------------- ATOM 145 N ARG A 302 8.185 15.646 -5.420 1.00 0.00 N ATOM 146 CA ARG A 302 7.581 14.393 -5.841 1.00 0.00 C ATOM 147 C ARG A 302 8.629 13.279 -5.863 1.00 0.00 C ATOM 148 O ARG A 302 8.312 12.119 -5.605 1.00 0.00 O ATOM 149 CB ARG A 302 6.955 14.523 -7.232 1.00 0.00 C ATOM 150 CG ARG A 302 5.798 13.539 -7.407 1.00 0.00 C ATOM 151 CD ARG A 302 4.494 14.121 -6.857 1.00 0.00 C ATOM 152 NE ARG A 302 3.362 13.742 -7.731 1.00 0.00 N ATOM 153 CZ ARG A 302 2.085 13.693 -7.327 1.00 0.00 C ATOM 154 NH1 ARG A 302 1.770 14.000 -6.062 1.00 0.00 N ATOM 155 NH2 ARG A 302 1.123 13.338 -8.190 1.00 0.00 N ATOM 0 HA ARG A 302 6.798 14.145 -5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 302 6.596 15.542 -7.379 1.00 0.00 H new ATOM 0 HB3 ARG A 302 7.712 14.339 -7.994 1.00 0.00 H new ATOM 0 HG2 ARG A 302 5.676 13.300 -8.463 1.00 0.00 H new ATOM 0 HG3 ARG A 302 6.029 12.606 -6.893 1.00 0.00 H new ATOM 0 HD2 ARG A 302 4.321 13.755 -5.845 1.00 0.00 H new ATOM 0 HD3 ARG A 302 4.568 15.207 -6.795 1.00 0.00 H new ATOM 0 HE ARG A 302 3.566 13.503 -8.701 1.00 0.00 H new ATOM 0 HH11 ARG A 302 2.502 14.271 -5.406 1.00 0.00 H new ATOM 0 HH12 ARG A 302 0.798 13.963 -5.755 1.00 0.00 H new ATOM 0 HH21 ARG A 302 1.363 13.105 -9.154 1.00 0.00 H new ATOM 0 HH22 ARG A 302 0.151 13.301 -7.883 1.00 0.00 H new ATOM 169 N ALA A 303 9.856 13.671 -6.175 1.00 0.00 N ATOM 170 CA ALA A 303 10.952 12.719 -6.234 1.00 0.00 C ATOM 171 C ALA A 303 11.307 12.268 -4.816 1.00 0.00 C ATOM 172 O ALA A 303 11.651 11.107 -4.598 1.00 0.00 O ATOM 173 CB ALA A 303 12.141 13.354 -6.958 1.00 0.00 C ATOM 0 H ALA A 303 10.115 14.634 -6.389 1.00 0.00 H new ATOM 0 HA ALA A 303 10.661 11.833 -6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 303 12.963 12.640 -7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 303 11.845 13.630 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 303 12.462 14.245 -6.418 1.00 0.00 H new ATOM 179 N VAL A 304 11.212 13.209 -3.888 1.00 0.00 N ATOM 180 CA VAL A 304 11.518 12.923 -2.497 1.00 0.00 C ATOM 181 C VAL A 304 10.482 11.943 -1.942 1.00 0.00 C ATOM 182 O VAL A 304 10.836 10.963 -1.289 1.00 0.00 O ATOM 183 CB VAL A 304 11.597 14.226 -1.699 1.00 0.00 C ATOM 184 CG1 VAL A 304 11.628 13.947 -0.195 1.00 0.00 C ATOM 185 CG2 VAL A 304 12.806 15.059 -2.128 1.00 0.00 C ATOM 0 H VAL A 304 10.927 14.171 -4.073 1.00 0.00 H new ATOM 0 HA VAL A 304 12.494 12.446 -2.411 1.00 0.00 H new ATOM 0 HB VAL A 304 10.699 14.805 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 304 11.684 14.890 0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 304 10.722 13.414 0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 304 12.500 13.338 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 304 12.839 15.980 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 304 13.719 14.489 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 304 12.723 15.303 -3.187 1.00 0.00 H new ATOM 195 N ILE A 305 9.222 12.243 -2.222 1.00 0.00 N ATOM 196 CA ILE A 305 8.132 11.402 -1.759 1.00 0.00 C ATOM 197 C ILE A 305 8.299 9.995 -2.335 1.00 0.00 C ATOM 198 O ILE A 305 8.119 9.005 -1.628 1.00 0.00 O ATOM 199 CB ILE A 305 6.783 12.044 -2.086 1.00 0.00 C ATOM 200 CG1 ILE A 305 6.587 13.342 -1.299 1.00 0.00 C ATOM 201 CG2 ILE A 305 5.636 11.058 -1.859 1.00 0.00 C ATOM 202 CD1 ILE A 305 5.916 14.412 -2.162 1.00 0.00 C ATOM 0 H ILE A 305 8.932 13.057 -2.764 1.00 0.00 H new ATOM 0 HA ILE A 305 8.159 11.308 -0.673 1.00 0.00 H new ATOM 0 HB ILE A 305 6.778 12.305 -3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 305 5.978 13.147 -0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 305 7.552 13.707 -0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 305 4.689 11.540 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 305 5.772 10.187 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 305 5.628 10.743 -0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 305 5.789 15.324 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 305 6.539 14.622 -3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 305 4.941 14.054 -2.493 1.00 0.00 H new ATOM 214 N GLU A 306 8.641 9.951 -3.615 1.00 0.00 N ATOM 215 CA GLU A 306 8.835 8.681 -4.294 1.00 0.00 C ATOM 216 C GLU A 306 9.945 7.878 -3.613 1.00 0.00 C ATOM 217 O GLU A 306 9.772 6.695 -3.324 1.00 0.00 O ATOM 218 CB GLU A 306 9.143 8.895 -5.778 1.00 0.00 C ATOM 219 CG GLU A 306 7.875 9.249 -6.556 1.00 0.00 C ATOM 220 CD GLU A 306 7.713 8.347 -7.781 1.00 0.00 C ATOM 221 OE1 GLU A 306 7.394 7.157 -7.571 1.00 0.00 O ATOM 222 OE2 GLU A 306 7.912 8.867 -8.900 1.00 0.00 O ATOM 0 H GLU A 306 8.789 10.774 -4.199 1.00 0.00 H new ATOM 0 HA GLU A 306 7.909 8.110 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 306 9.877 9.693 -5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 306 9.589 7.992 -6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 306 7.005 9.146 -5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 306 7.916 10.292 -6.871 1.00 0.00 H new ATOM 229 N HIS A 307 11.060 8.553 -3.378 1.00 0.00 N ATOM 230 CA HIS A 307 12.198 7.918 -2.736 1.00 0.00 C ATOM 231 C HIS A 307 11.842 7.565 -1.291 1.00 0.00 C ATOM 232 O HIS A 307 12.054 6.435 -0.853 1.00 0.00 O ATOM 233 CB HIS A 307 13.444 8.800 -2.842 1.00 0.00 C ATOM 234 CG HIS A 307 14.742 8.058 -2.626 1.00 0.00 C ATOM 235 ND1 HIS A 307 15.046 6.875 -3.276 1.00 0.00 N ATOM 236 CD2 HIS A 307 15.810 8.344 -1.827 1.00 0.00 C ATOM 237 CE1 HIS A 307 16.245 6.475 -2.878 1.00 0.00 C ATOM 238 NE2 HIS A 307 16.716 7.387 -1.980 1.00 0.00 N ATOM 0 H HIS A 307 11.200 9.534 -3.621 1.00 0.00 H new ATOM 0 HA HIS A 307 12.438 6.988 -3.251 1.00 0.00 H new ATOM 0 HB2 HIS A 307 13.464 9.267 -3.827 1.00 0.00 H new ATOM 0 HB3 HIS A 307 13.371 9.604 -2.110 1.00 0.00 H new ATOM 0 HD2 HIS A 307 15.902 9.204 -1.180 1.00 0.00 H new ATOM 0 HE1 HIS A 307 16.759 5.584 -3.207 1.00 0.00 H new ATOM 0 HE2 HIS A 307 17.617 7.341 -1.504 1.00 0.00 H new ATOM 246 N ASN A 308 11.307 8.554 -0.589 1.00 0.00 N ATOM 247 CA ASN A 308 10.920 8.362 0.798 1.00 0.00 C ATOM 248 C ASN A 308 9.958 7.177 0.895 1.00 0.00 C ATOM 249 O ASN A 308 10.004 6.412 1.858 1.00 0.00 O ATOM 250 CB ASN A 308 10.203 9.598 1.345 1.00 0.00 C ATOM 251 CG ASN A 308 11.136 10.425 2.233 1.00 0.00 C ATOM 252 OD1 ASN A 308 11.463 10.054 3.348 1.00 0.00 O ATOM 253 ND2 ASN A 308 11.544 11.562 1.677 1.00 0.00 N ATOM 0 H ASN A 308 11.133 9.490 -0.955 1.00 0.00 H new ATOM 0 HA ASN A 308 11.825 8.182 1.379 1.00 0.00 H new ATOM 0 HB2 ASN A 308 9.845 10.211 0.518 1.00 0.00 H new ATOM 0 HB3 ASN A 308 9.327 9.291 1.917 1.00 0.00 H new ATOM 0 HD21 ASN A 308 12.170 12.184 2.189 1.00 0.00 H new ATOM 0 HD22 ASN A 308 11.231 11.812 0.739 1.00 0.00 H new ATOM 260 N LEU A 309 9.108 7.060 -0.115 1.00 0.00 N ATOM 261 CA LEU A 309 8.137 5.980 -0.155 1.00 0.00 C ATOM 262 C LEU A 309 8.871 4.644 -0.279 1.00 0.00 C ATOM 263 O LEU A 309 8.495 3.663 0.361 1.00 0.00 O ATOM 264 CB LEU A 309 7.111 6.224 -1.264 1.00 0.00 C ATOM 265 CG LEU A 309 5.782 6.841 -0.824 1.00 0.00 C ATOM 266 CD1 LEU A 309 5.146 7.641 -1.962 1.00 0.00 C ATOM 267 CD2 LEU A 309 4.835 5.771 -0.277 1.00 0.00 C ATOM 0 H LEU A 309 9.072 7.696 -0.912 1.00 0.00 H new ATOM 0 HA LEU A 309 7.567 5.945 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 309 7.562 6.876 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 309 6.903 5.273 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 309 5.982 7.540 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 309 4.203 8.069 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 309 5.820 8.442 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 309 4.961 6.983 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 309 3.898 6.236 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 309 4.637 5.030 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 309 5.295 5.283 0.582 1.00 0.00 H new ATOM 279 N LEU A 310 9.905 4.648 -1.108 1.00 0.00 N ATOM 280 CA LEU A 310 10.695 3.448 -1.325 1.00 0.00 C ATOM 281 C LEU A 310 11.576 3.195 -0.100 1.00 0.00 C ATOM 282 O LEU A 310 11.714 2.057 0.345 1.00 0.00 O ATOM 283 CB LEU A 310 11.479 3.552 -2.635 1.00 0.00 C ATOM 284 CG LEU A 310 10.703 3.214 -3.909 1.00 0.00 C ATOM 285 CD1 LEU A 310 11.583 3.385 -5.149 1.00 0.00 C ATOM 286 CD2 LEU A 310 10.097 1.811 -3.826 1.00 0.00 C ATOM 0 H LEU A 310 10.214 5.463 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 310 10.046 2.580 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 310 11.863 4.568 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 310 12.342 2.889 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 310 9.876 3.918 -4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 310 11.007 3.138 -6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 310 11.926 4.418 -5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 310 12.444 2.721 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 310 9.551 1.596 -4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 310 10.893 1.078 -3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 310 9.415 1.759 -2.977 1.00 0.00 H new ATOM 298 N SER A 311 12.149 4.275 0.411 1.00 0.00 N ATOM 299 CA SER A 311 13.012 4.184 1.576 1.00 0.00 C ATOM 300 C SER A 311 12.192 3.790 2.806 1.00 0.00 C ATOM 301 O SER A 311 12.624 2.960 3.605 1.00 0.00 O ATOM 302 CB SER A 311 13.741 5.506 1.826 1.00 0.00 C ATOM 303 OG SER A 311 15.142 5.395 1.591 1.00 0.00 O ATOM 0 H SER A 311 12.032 5.218 0.039 1.00 0.00 H new ATOM 0 HA SER A 311 13.762 3.416 1.386 1.00 0.00 H new ATOM 0 HB2 SER A 311 13.325 6.278 1.179 1.00 0.00 H new ATOM 0 HB3 SER A 311 13.570 5.826 2.854 1.00 0.00 H new ATOM 0 HG SER A 311 15.571 6.260 1.760 1.00 0.00 H new ATOM 309 N ALA A 312 11.024 4.404 2.920 1.00 0.00 N ATOM 310 CA ALA A 312 10.139 4.128 4.040 1.00 0.00 C ATOM 311 C ALA A 312 9.625 2.691 3.935 1.00 0.00 C ATOM 312 O ALA A 312 9.207 2.103 4.931 1.00 0.00 O ATOM 313 CB ALA A 312 9.004 5.153 4.059 1.00 0.00 C ATOM 0 H ALA A 312 10.669 5.092 2.256 1.00 0.00 H new ATOM 0 HA ALA A 312 10.675 4.219 4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 312 8.341 4.946 4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 312 9.420 6.155 4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 312 8.441 5.090 3.128 1.00 0.00 H new ATOM 319 N SER A 313 9.671 2.167 2.719 1.00 0.00 N ATOM 320 CA SER A 313 9.215 0.809 2.471 1.00 0.00 C ATOM 321 C SER A 313 10.233 -0.193 3.019 1.00 0.00 C ATOM 322 O SER A 313 9.861 -1.271 3.480 1.00 0.00 O ATOM 323 CB SER A 313 8.986 0.570 0.977 1.00 0.00 C ATOM 324 OG SER A 313 8.660 -0.789 0.698 1.00 0.00 O ATOM 0 H SER A 313 10.017 2.658 1.895 1.00 0.00 H new ATOM 0 HA SER A 313 8.264 0.668 2.984 1.00 0.00 H new ATOM 0 HB2 SER A 313 8.181 1.215 0.626 1.00 0.00 H new ATOM 0 HB3 SER A 313 9.883 0.849 0.424 1.00 0.00 H new ATOM 0 HG SER A 313 8.520 -0.901 -0.265 1.00 0.00 H new ATOM 330 N LYS A 314 11.497 0.198 2.951 1.00 0.00 N ATOM 331 CA LYS A 314 12.570 -0.653 3.435 1.00 0.00 C ATOM 332 C LYS A 314 12.836 -0.343 4.910 1.00 0.00 C ATOM 333 O LYS A 314 13.591 -1.053 5.571 1.00 0.00 O ATOM 334 CB LYS A 314 13.807 -0.514 2.545 1.00 0.00 C ATOM 335 CG LYS A 314 14.493 0.836 2.766 1.00 0.00 C ATOM 336 CD LYS A 314 15.988 0.749 2.454 1.00 0.00 C ATOM 337 CE LYS A 314 16.312 1.435 1.126 1.00 0.00 C ATOM 338 NZ LYS A 314 17.618 2.127 1.205 1.00 0.00 N ATOM 0 H LYS A 314 11.802 1.093 2.568 1.00 0.00 H new ATOM 0 HA LYS A 314 12.280 -1.702 3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 314 14.507 -1.321 2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 314 13.519 -0.613 1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 314 14.029 1.592 2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 314 14.351 1.155 3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 314 16.558 1.216 3.257 1.00 0.00 H new ATOM 0 HD3 LYS A 314 16.294 -0.296 2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 314 16.333 0.697 0.324 1.00 0.00 H new ATOM 0 HE3 LYS A 314 15.528 2.151 0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 314 17.823 2.587 0.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 314 17.586 2.845 1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 314 18.365 1.436 1.419 1.00 0.00 H new ATOM 352 N LEU A 315 12.200 0.720 5.382 1.00 0.00 N ATOM 353 CA LEU A 315 12.358 1.133 6.766 1.00 0.00 C ATOM 354 C LEU A 315 11.168 0.628 7.583 1.00 0.00 C ATOM 355 O LEU A 315 11.280 -0.364 8.302 1.00 0.00 O ATOM 356 CB LEU A 315 12.567 2.646 6.853 1.00 0.00 C ATOM 357 CG LEU A 315 13.974 3.149 6.525 1.00 0.00 C ATOM 358 CD1 LEU A 315 13.920 4.496 5.802 1.00 0.00 C ATOM 359 CD2 LEU A 315 14.842 3.209 7.784 1.00 0.00 C ATOM 0 H LEU A 315 11.575 1.307 4.830 1.00 0.00 H new ATOM 0 HA LEU A 315 13.254 0.686 7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 315 11.863 3.129 6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 315 12.313 2.970 7.862 1.00 0.00 H new ATOM 0 HG LEU A 315 14.441 2.437 5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 315 14.933 4.831 5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 315 13.362 4.388 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 315 13.426 5.231 6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 315 15.837 3.570 7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 315 14.388 3.887 8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 315 14.920 2.213 8.220 1.00 0.00 H new ATOM 371 N TYR A 316 10.055 1.334 7.446 1.00 0.00 N ATOM 372 CA TYR A 316 8.845 0.970 8.163 1.00 0.00 C ATOM 373 C TYR A 316 8.185 -0.259 7.536 1.00 0.00 C ATOM 374 O TYR A 316 8.058 -0.346 6.315 1.00 0.00 O ATOM 375 CB TYR A 316 7.900 2.166 8.030 1.00 0.00 C ATOM 376 CG TYR A 316 8.363 3.412 8.786 1.00 0.00 C ATOM 377 CD1 TYR A 316 9.299 4.254 8.220 1.00 0.00 C ATOM 378 CD2 TYR A 316 7.845 3.695 10.033 1.00 0.00 C ATOM 379 CE1 TYR A 316 9.735 5.428 8.932 1.00 0.00 C ATOM 380 CE2 TYR A 316 8.281 4.869 10.745 1.00 0.00 C ATOM 381 CZ TYR A 316 9.204 5.677 10.159 1.00 0.00 C ATOM 382 OH TYR A 316 9.616 6.786 10.831 1.00 0.00 O ATOM 0 H TYR A 316 9.966 2.156 6.849 1.00 0.00 H new ATOM 0 HA TYR A 316 9.072 0.730 9.202 1.00 0.00 H new ATOM 0 HB2 TYR A 316 7.791 2.414 6.974 1.00 0.00 H new ATOM 0 HB3 TYR A 316 6.913 1.879 8.394 1.00 0.00 H new ATOM 0 HD1 TYR A 316 9.704 4.033 7.244 1.00 0.00 H new ATOM 0 HD2 TYR A 316 7.112 3.036 10.475 1.00 0.00 H new ATOM 0 HE1 TYR A 316 10.467 6.095 8.501 1.00 0.00 H new ATOM 0 HE2 TYR A 316 7.884 5.102 11.722 1.00 0.00 H new ATOM 0 HH TYR A 316 9.152 6.837 11.693 1.00 0.00 H new ATOM 392 N ASN A 317 7.781 -1.180 8.399 1.00 0.00 N ATOM 393 CA ASN A 317 7.137 -2.401 7.945 1.00 0.00 C ATOM 394 C ASN A 317 5.740 -2.069 7.415 1.00 0.00 C ATOM 395 O ASN A 317 5.329 -2.580 6.375 1.00 0.00 O ATOM 396 CB ASN A 317 6.982 -3.402 9.091 1.00 0.00 C ATOM 397 CG ASN A 317 8.347 -3.870 9.598 1.00 0.00 C ATOM 398 OD1 ASN A 317 9.320 -3.941 8.865 1.00 0.00 O ATOM 399 ND2 ASN A 317 8.366 -4.184 10.891 1.00 0.00 N ATOM 0 H ASN A 317 7.887 -1.105 9.411 1.00 0.00 H new ATOM 0 HA ASN A 317 7.759 -2.840 7.165 1.00 0.00 H new ATOM 0 HB2 ASN A 317 6.425 -2.942 9.907 1.00 0.00 H new ATOM 0 HB3 ASN A 317 6.402 -4.261 8.753 1.00 0.00 H new ATOM 0 HD21 ASN A 317 9.231 -4.507 11.325 1.00 0.00 H new ATOM 0 HD22 ASN A 317 7.516 -4.102 11.448 1.00 0.00 H new ATOM 406 N ASN A 318 5.049 -1.214 8.156 1.00 0.00 N ATOM 407 CA ASN A 318 3.707 -0.808 7.774 1.00 0.00 C ATOM 408 C ASN A 318 3.440 0.606 8.294 1.00 0.00 C ATOM 409 O ASN A 318 3.756 0.920 9.441 1.00 0.00 O ATOM 410 CB ASN A 318 2.656 -1.741 8.379 1.00 0.00 C ATOM 411 CG ASN A 318 3.229 -3.143 8.599 1.00 0.00 C ATOM 412 OD1 ASN A 318 3.646 -3.507 9.686 1.00 0.00 O ATOM 413 ND2 ASN A 318 3.225 -3.905 7.510 1.00 0.00 N ATOM 0 H ASN A 318 5.393 -0.792 9.018 1.00 0.00 H new ATOM 0 HA ASN A 318 3.639 -0.846 6.687 1.00 0.00 H new ATOM 0 HB2 ASN A 318 2.306 -1.334 9.328 1.00 0.00 H new ATOM 0 HB3 ASN A 318 1.791 -1.797 7.718 1.00 0.00 H new ATOM 0 HD21 ASN A 318 3.586 -4.858 7.553 1.00 0.00 H new ATOM 0 HD22 ASN A 318 2.861 -3.537 6.631 1.00 0.00 H new ATOM 420 N ILE A 319 2.861 1.422 7.425 1.00 0.00 N ATOM 421 CA ILE A 319 2.547 2.795 7.782 1.00 0.00 C ATOM 422 C ILE A 319 1.267 3.225 7.063 1.00 0.00 C ATOM 423 O ILE A 319 1.000 2.783 5.947 1.00 0.00 O ATOM 424 CB ILE A 319 3.744 3.707 7.505 1.00 0.00 C ATOM 425 CG1 ILE A 319 3.582 5.054 8.212 1.00 0.00 C ATOM 426 CG2 ILE A 319 3.971 3.872 6.001 1.00 0.00 C ATOM 427 CD1 ILE A 319 4.913 5.806 8.271 1.00 0.00 C ATOM 0 H ILE A 319 2.601 1.158 6.475 1.00 0.00 H new ATOM 0 HA ILE A 319 2.354 2.876 8.852 1.00 0.00 H new ATOM 0 HB ILE A 319 4.636 3.234 7.915 1.00 0.00 H new ATOM 0 HG12 ILE A 319 2.842 5.658 7.687 1.00 0.00 H new ATOM 0 HG13 ILE A 319 3.205 4.895 9.222 1.00 0.00 H new ATOM 0 HG21 ILE A 319 4.827 4.525 5.832 1.00 0.00 H new ATOM 0 HG22 ILE A 319 4.164 2.897 5.553 1.00 0.00 H new ATOM 0 HG23 ILE A 319 3.084 4.312 5.545 1.00 0.00 H new ATOM 0 HD11 ILE A 319 4.770 6.760 8.778 1.00 0.00 H new ATOM 0 HD12 ILE A 319 5.644 5.210 8.818 1.00 0.00 H new ATOM 0 HD13 ILE A 319 5.275 5.984 7.259 1.00 0.00 H new ATOM 439 N THR A 320 0.510 4.082 7.732 1.00 0.00 N ATOM 440 CA THR A 320 -0.736 4.576 7.170 1.00 0.00 C ATOM 441 C THR A 320 -0.484 5.840 6.345 1.00 0.00 C ATOM 442 O THR A 320 0.592 6.431 6.420 1.00 0.00 O ATOM 443 CB THR A 320 -1.722 4.788 8.321 1.00 0.00 C ATOM 444 OG1 THR A 320 -2.940 5.142 7.673 1.00 0.00 O ATOM 445 CG2 THR A 320 -1.379 6.016 9.167 1.00 0.00 C ATOM 0 H THR A 320 0.735 4.447 8.658 1.00 0.00 H new ATOM 0 HA THR A 320 -1.172 3.855 6.478 1.00 0.00 H new ATOM 0 HB THR A 320 -1.735 3.902 8.956 1.00 0.00 H new ATOM 0 HG1 THR A 320 -3.162 4.464 7.001 1.00 0.00 H new ATOM 0 HG21 THR A 320 -2.109 6.121 9.969 1.00 0.00 H new ATOM 0 HG22 THR A 320 -0.384 5.896 9.595 1.00 0.00 H new ATOM 0 HG23 THR A 320 -1.399 6.907 8.540 1.00 0.00 H new ATOM 453 N PHE A 321 -1.495 6.217 5.576 1.00 0.00 N ATOM 454 CA PHE A 321 -1.397 7.399 4.737 1.00 0.00 C ATOM 455 C PHE A 321 -1.182 8.655 5.584 1.00 0.00 C ATOM 456 O PHE A 321 -0.472 9.572 5.172 1.00 0.00 O ATOM 457 CB PHE A 321 -2.724 7.526 3.986 1.00 0.00 C ATOM 458 CG PHE A 321 -3.182 6.231 3.311 1.00 0.00 C ATOM 459 CD1 PHE A 321 -2.473 5.719 2.270 1.00 0.00 C ATOM 460 CD2 PHE A 321 -4.299 5.593 3.752 1.00 0.00 C ATOM 461 CE1 PHE A 321 -2.899 4.518 1.643 1.00 0.00 C ATOM 462 CE2 PHE A 321 -4.725 4.392 3.126 1.00 0.00 C ATOM 463 CZ PHE A 321 -4.016 3.880 2.084 1.00 0.00 C ATOM 0 H PHE A 321 -2.386 5.725 5.516 1.00 0.00 H new ATOM 0 HA PHE A 321 -0.552 7.303 4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 321 -3.495 7.853 4.684 1.00 0.00 H new ATOM 0 HB3 PHE A 321 -2.629 8.304 3.229 1.00 0.00 H new ATOM 0 HD1 PHE A 321 -1.586 6.226 1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 321 -4.862 6.000 4.579 1.00 0.00 H new ATOM 0 HE1 PHE A 321 -2.336 4.111 0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 321 -5.612 3.885 3.477 1.00 0.00 H new ATOM 0 HZ PHE A 321 -4.340 2.967 1.607 1.00 0.00 H new ATOM 473 N GLU A 322 -1.809 8.658 6.751 1.00 0.00 N ATOM 474 CA GLU A 322 -1.696 9.786 7.659 1.00 0.00 C ATOM 475 C GLU A 322 -0.241 9.970 8.098 1.00 0.00 C ATOM 476 O GLU A 322 0.292 11.077 8.042 1.00 0.00 O ATOM 477 CB GLU A 322 -2.615 9.611 8.869 1.00 0.00 C ATOM 478 CG GLU A 322 -4.086 9.654 8.451 1.00 0.00 C ATOM 479 CD GLU A 322 -4.994 9.175 9.586 1.00 0.00 C ATOM 480 OE1 GLU A 322 -4.859 9.735 10.695 1.00 0.00 O ATOM 481 OE2 GLU A 322 -5.801 8.259 9.318 1.00 0.00 O ATOM 0 H GLU A 322 -2.397 7.896 7.089 1.00 0.00 H new ATOM 0 HA GLU A 322 -2.013 10.685 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 322 -2.400 8.661 9.359 1.00 0.00 H new ATOM 0 HB3 GLU A 322 -2.417 10.397 9.597 1.00 0.00 H new ATOM 0 HG2 GLU A 322 -4.358 10.671 8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 322 -4.236 9.028 7.572 1.00 0.00 H new ATOM 488 N GLU A 323 0.359 8.869 8.524 1.00 0.00 N ATOM 489 CA GLU A 323 1.741 8.895 8.972 1.00 0.00 C ATOM 490 C GLU A 323 2.681 9.084 7.781 1.00 0.00 C ATOM 491 O GLU A 323 3.591 9.910 7.829 1.00 0.00 O ATOM 492 CB GLU A 323 2.089 7.624 9.750 1.00 0.00 C ATOM 493 CG GLU A 323 1.651 7.738 11.211 1.00 0.00 C ATOM 494 CD GLU A 323 2.702 8.475 12.043 1.00 0.00 C ATOM 495 OE1 GLU A 323 3.855 7.993 12.057 1.00 0.00 O ATOM 496 OE2 GLU A 323 2.329 9.505 12.646 1.00 0.00 O ATOM 0 H GLU A 323 -0.087 7.953 8.569 1.00 0.00 H new ATOM 0 HA GLU A 323 1.868 9.741 9.648 1.00 0.00 H new ATOM 0 HB2 GLU A 323 1.603 6.765 9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 323 3.163 7.446 9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 323 0.700 8.267 11.269 1.00 0.00 H new ATOM 0 HG3 GLU A 323 1.488 6.743 11.624 1.00 0.00 H new ATOM 503 N LEU A 324 2.430 8.304 6.740 1.00 0.00 N ATOM 504 CA LEU A 324 3.243 8.375 5.538 1.00 0.00 C ATOM 505 C LEU A 324 3.218 9.805 4.994 1.00 0.00 C ATOM 506 O LEU A 324 4.247 10.330 4.572 1.00 0.00 O ATOM 507 CB LEU A 324 2.792 7.323 4.522 1.00 0.00 C ATOM 508 CG LEU A 324 3.745 7.067 3.353 1.00 0.00 C ATOM 509 CD1 LEU A 324 5.115 6.605 3.854 1.00 0.00 C ATOM 510 CD2 LEU A 324 3.136 6.080 2.355 1.00 0.00 C ATOM 0 H LEU A 324 1.675 7.619 6.704 1.00 0.00 H new ATOM 0 HA LEU A 324 4.282 8.138 5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 324 2.634 6.382 5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 324 1.827 7.628 4.118 1.00 0.00 H new ATOM 0 HG LEU A 324 3.897 8.007 2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 324 5.773 6.430 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 324 5.546 7.374 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 324 5.002 5.681 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 324 3.834 5.916 1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 324 2.936 5.133 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 324 2.204 6.487 1.963 1.00 0.00 H new ATOM 522 N GLY A 325 2.032 10.394 5.022 1.00 0.00 N ATOM 523 CA GLY A 325 1.860 11.753 4.538 1.00 0.00 C ATOM 524 C GLY A 325 2.467 12.764 5.513 1.00 0.00 C ATOM 525 O GLY A 325 2.964 13.810 5.098 1.00 0.00 O ATOM 0 H GLY A 325 1.181 9.955 5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 325 2.331 11.857 3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 325 0.799 11.964 4.404 1.00 0.00 H new ATOM 529 N ALA A 326 2.406 12.416 6.790 1.00 0.00 N ATOM 530 CA ALA A 326 2.944 13.280 7.827 1.00 0.00 C ATOM 531 C ALA A 326 4.469 13.321 7.711 1.00 0.00 C ATOM 532 O ALA A 326 5.097 14.313 8.078 1.00 0.00 O ATOM 533 CB ALA A 326 2.477 12.785 9.197 1.00 0.00 C ATOM 0 H ALA A 326 1.992 11.548 7.130 1.00 0.00 H new ATOM 0 HA ALA A 326 2.577 14.299 7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 326 2.881 13.433 9.975 1.00 0.00 H new ATOM 0 HB2 ALA A 326 1.388 12.803 9.239 1.00 0.00 H new ATOM 0 HB3 ALA A 326 2.829 11.766 9.355 1.00 0.00 H new ATOM 539 N LEU A 327 5.021 12.231 7.198 1.00 0.00 N ATOM 540 CA LEU A 327 6.460 12.129 7.029 1.00 0.00 C ATOM 541 C LEU A 327 6.887 12.962 5.819 1.00 0.00 C ATOM 542 O LEU A 327 7.903 13.655 5.864 1.00 0.00 O ATOM 543 CB LEU A 327 6.889 10.663 6.949 1.00 0.00 C ATOM 544 CG LEU A 327 8.013 10.346 5.960 1.00 0.00 C ATOM 545 CD1 LEU A 327 9.343 10.930 6.437 1.00 0.00 C ATOM 546 CD2 LEU A 327 8.107 8.840 5.703 1.00 0.00 C ATOM 0 H LEU A 327 4.497 11.411 6.894 1.00 0.00 H new ATOM 0 HA LEU A 327 6.975 12.540 7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 327 7.205 10.343 7.942 1.00 0.00 H new ATOM 0 HB3 LEU A 327 6.018 10.064 6.683 1.00 0.00 H new ATOM 0 HG LEU A 327 7.776 10.821 5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 327 10.125 10.690 5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 327 9.253 12.012 6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 327 9.600 10.504 7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 327 8.913 8.641 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 327 8.310 8.323 6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 327 7.165 8.482 5.288 1.00 0.00 H new ATOM 558 N LEU A 328 6.091 12.867 4.764 1.00 0.00 N ATOM 559 CA LEU A 328 6.373 13.602 3.544 1.00 0.00 C ATOM 560 C LEU A 328 5.704 14.976 3.615 1.00 0.00 C ATOM 561 O LEU A 328 5.761 15.749 2.659 1.00 0.00 O ATOM 562 CB LEU A 328 5.966 12.783 2.318 1.00 0.00 C ATOM 563 CG LEU A 328 6.108 11.265 2.448 1.00 0.00 C ATOM 564 CD1 LEU A 328 4.966 10.544 1.730 1.00 0.00 C ATOM 565 CD2 LEU A 328 7.480 10.799 1.956 1.00 0.00 C ATOM 0 H LEU A 328 5.250 12.291 4.730 1.00 0.00 H new ATOM 0 HA LEU A 328 7.445 13.773 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 328 4.927 13.012 2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 328 6.566 13.113 1.470 1.00 0.00 H new ATOM 0 HG LEU A 328 6.039 11.004 3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 328 5.091 9.467 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 328 4.014 10.844 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 328 4.978 10.806 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 328 7.555 9.717 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 328 7.603 11.073 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 328 8.260 11.275 2.550 1.00 0.00 H new ATOM 577 N GLU A 329 5.085 15.239 4.757 1.00 0.00 N ATOM 578 CA GLU A 329 4.406 16.507 4.965 1.00 0.00 C ATOM 579 C GLU A 329 3.225 16.641 4.002 1.00 0.00 C ATOM 580 O GLU A 329 2.638 17.715 3.879 1.00 0.00 O ATOM 581 CB GLU A 329 5.375 17.680 4.811 1.00 0.00 C ATOM 582 CG GLU A 329 6.156 17.920 6.105 1.00 0.00 C ATOM 583 CD GLU A 329 5.399 18.871 7.034 1.00 0.00 C ATOM 584 OE1 GLU A 329 4.220 18.567 7.320 1.00 0.00 O ATOM 585 OE2 GLU A 329 6.015 19.881 7.437 1.00 0.00 O ATOM 0 H GLU A 329 5.040 14.596 5.547 1.00 0.00 H new ATOM 0 HA GLU A 329 4.022 16.528 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 329 6.069 17.478 3.995 1.00 0.00 H new ATOM 0 HB3 GLU A 329 4.822 18.580 4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 329 6.327 16.970 6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 329 7.135 18.338 5.871 1.00 0.00 H new ATOM 592 N ILE A 330 2.912 15.535 3.343 1.00 0.00 N ATOM 593 CA ILE A 330 1.811 15.515 2.394 1.00 0.00 C ATOM 594 C ILE A 330 0.608 14.817 3.030 1.00 0.00 C ATOM 595 O ILE A 330 0.750 14.115 4.029 1.00 0.00 O ATOM 596 CB ILE A 330 2.256 14.890 1.070 1.00 0.00 C ATOM 597 CG1 ILE A 330 2.150 13.365 1.121 1.00 0.00 C ATOM 598 CG2 ILE A 330 3.664 15.354 0.690 1.00 0.00 C ATOM 599 CD1 ILE A 330 2.407 12.751 -0.257 1.00 0.00 C ATOM 0 H ILE A 330 3.401 14.646 3.447 1.00 0.00 H new ATOM 0 HA ILE A 330 1.499 16.531 2.151 1.00 0.00 H new ATOM 0 HB ILE A 330 1.581 15.234 0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 330 2.869 12.971 1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.159 13.077 1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 330 3.956 14.895 -0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 330 3.674 16.439 0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 330 4.367 15.059 1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 330 2.326 11.666 -0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 330 1.671 13.129 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 330 3.408 13.020 -0.594 1.00 0.00 H new ATOM 611 N PRO A 331 -0.581 15.040 2.408 1.00 0.00 N ATOM 612 CA PRO A 331 -1.809 14.441 2.902 1.00 0.00 C ATOM 613 C PRO A 331 -1.869 12.951 2.558 1.00 0.00 C ATOM 614 O PRO A 331 -1.195 12.496 1.635 1.00 0.00 O ATOM 615 CB PRO A 331 -2.926 15.245 2.258 1.00 0.00 C ATOM 616 CG PRO A 331 -2.297 15.959 1.073 1.00 0.00 C ATOM 617 CD PRO A 331 -0.787 15.867 1.222 1.00 0.00 C ATOM 0 HA PRO A 331 -1.887 14.476 3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -3.739 14.595 1.935 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -3.350 15.959 2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -2.617 15.501 0.137 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -2.615 17.001 1.042 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -0.329 15.417 0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -0.340 16.854 1.345 1.00 0.00 H new ATOM 625 N ALA A 332 -2.683 12.233 3.318 1.00 0.00 N ATOM 626 CA ALA A 332 -2.840 10.805 3.104 1.00 0.00 C ATOM 627 C ALA A 332 -3.328 10.557 1.676 1.00 0.00 C ATOM 628 O ALA A 332 -2.875 9.625 1.014 1.00 0.00 O ATOM 629 CB ALA A 332 -3.796 10.234 4.154 1.00 0.00 C ATOM 0 H ALA A 332 -3.241 12.614 4.083 1.00 0.00 H new ATOM 0 HA ALA A 332 -1.885 10.293 3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 332 -3.914 9.162 3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 332 -3.389 10.409 5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 332 -4.766 10.723 4.067 1.00 0.00 H new ATOM 635 N ALA A 333 -4.245 11.409 1.242 1.00 0.00 N ATOM 636 CA ALA A 333 -4.799 11.295 -0.097 1.00 0.00 C ATOM 637 C ALA A 333 -3.667 11.383 -1.122 1.00 0.00 C ATOM 638 O ALA A 333 -3.712 10.725 -2.160 1.00 0.00 O ATOM 639 CB ALA A 333 -5.860 12.377 -0.304 1.00 0.00 C ATOM 0 H ALA A 333 -4.618 12.181 1.794 1.00 0.00 H new ATOM 0 HA ALA A 333 -5.288 10.330 -0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 333 -6.276 12.292 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 333 -6.656 12.251 0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 333 -5.406 13.360 -0.182 1.00 0.00 H new ATOM 645 N LYS A 334 -2.678 12.202 -0.795 1.00 0.00 N ATOM 646 CA LYS A 334 -1.536 12.385 -1.675 1.00 0.00 C ATOM 647 C LYS A 334 -0.624 11.160 -1.581 1.00 0.00 C ATOM 648 O LYS A 334 -0.209 10.612 -2.601 1.00 0.00 O ATOM 649 CB LYS A 334 -0.827 13.705 -1.364 1.00 0.00 C ATOM 650 CG LYS A 334 0.112 14.104 -2.504 1.00 0.00 C ATOM 651 CD LYS A 334 -0.678 14.481 -3.759 1.00 0.00 C ATOM 652 CE LYS A 334 -0.072 15.710 -4.440 1.00 0.00 C ATOM 653 NZ LYS A 334 -0.324 16.925 -3.634 1.00 0.00 N ATOM 0 H LYS A 334 -2.644 12.746 0.067 1.00 0.00 H new ATOM 0 HA LYS A 334 -1.862 12.461 -2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -1.566 14.490 -1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -0.260 13.608 -0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 334 0.730 14.946 -2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 334 0.787 13.279 -2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -0.685 13.642 -4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -1.716 14.683 -3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 334 1.001 15.569 -4.571 1.00 0.00 H new ATOM 0 HE3 LYS A 334 -0.501 15.831 -5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 -0.223 17.768 -4.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -1.288 16.890 -3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 0.362 16.972 -2.853 1.00 0.00 H new ATOM 667 N ALA A 335 -0.340 10.766 -0.349 1.00 0.00 N ATOM 668 CA ALA A 335 0.515 9.616 -0.109 1.00 0.00 C ATOM 669 C ALA A 335 -0.163 8.359 -0.659 1.00 0.00 C ATOM 670 O ALA A 335 0.510 7.437 -1.118 1.00 0.00 O ATOM 671 CB ALA A 335 0.818 9.508 1.387 1.00 0.00 C ATOM 0 H ALA A 335 -0.687 11.223 0.494 1.00 0.00 H new ATOM 0 HA ALA A 335 1.467 9.731 -0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 335 1.459 8.645 1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 335 1.325 10.413 1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 335 -0.114 9.389 1.939 1.00 0.00 H new ATOM 677 N GLU A 336 -1.486 8.362 -0.593 1.00 0.00 N ATOM 678 CA GLU A 336 -2.262 7.233 -1.079 1.00 0.00 C ATOM 679 C GLU A 336 -2.156 7.132 -2.602 1.00 0.00 C ATOM 680 O GLU A 336 -1.916 6.052 -3.140 1.00 0.00 O ATOM 681 CB GLU A 336 -3.723 7.342 -0.637 1.00 0.00 C ATOM 682 CG GLU A 336 -4.538 6.150 -1.142 1.00 0.00 C ATOM 683 CD GLU A 336 -6.003 6.537 -1.353 1.00 0.00 C ATOM 684 OE1 GLU A 336 -6.602 7.046 -0.381 1.00 0.00 O ATOM 685 OE2 GLU A 336 -6.491 6.317 -2.483 1.00 0.00 O ATOM 0 H GLU A 336 -2.041 9.128 -0.211 1.00 0.00 H new ATOM 0 HA GLU A 336 -1.852 6.321 -0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 336 -3.775 7.388 0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 336 -4.154 8.269 -1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 336 -4.116 5.787 -2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 336 -4.474 5.331 -0.425 1.00 0.00 H new ATOM 692 N LYS A 337 -2.339 8.271 -3.253 1.00 0.00 N ATOM 693 CA LYS A 337 -2.266 8.324 -4.703 1.00 0.00 C ATOM 694 C LYS A 337 -0.851 7.956 -5.153 1.00 0.00 C ATOM 695 O LYS A 337 -0.676 7.171 -6.084 1.00 0.00 O ATOM 696 CB LYS A 337 -2.738 9.687 -5.214 1.00 0.00 C ATOM 697 CG LYS A 337 -2.232 9.946 -6.634 1.00 0.00 C ATOM 698 CD LYS A 337 -2.914 9.013 -7.638 1.00 0.00 C ATOM 699 CE LYS A 337 -4.116 9.697 -8.292 1.00 0.00 C ATOM 700 NZ LYS A 337 -4.469 9.022 -9.561 1.00 0.00 N ATOM 0 H LYS A 337 -2.538 9.165 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 337 -2.942 7.592 -5.145 1.00 0.00 H new ATOM 0 HB2 LYS A 337 -3.827 9.727 -5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 337 -2.381 10.473 -4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 337 -2.423 10.983 -6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 337 -1.152 9.800 -6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 337 -2.200 8.713 -8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 337 -3.239 8.104 -7.132 1.00 0.00 H new ATOM 0 HE2 LYS A 337 -4.968 9.676 -7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 337 -3.886 10.745 -8.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 -5.287 9.499 -9.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 -3.660 9.064 -10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 -4.709 8.028 -9.371 1.00 0.00 H new ATOM 714 N ILE A 338 0.123 8.539 -4.470 1.00 0.00 N ATOM 715 CA ILE A 338 1.518 8.281 -4.787 1.00 0.00 C ATOM 716 C ILE A 338 1.864 6.839 -4.411 1.00 0.00 C ATOM 717 O ILE A 338 2.516 6.133 -5.179 1.00 0.00 O ATOM 718 CB ILE A 338 2.420 9.323 -4.123 1.00 0.00 C ATOM 719 CG1 ILE A 338 2.055 10.737 -4.581 1.00 0.00 C ATOM 720 CG2 ILE A 338 3.896 9.005 -4.366 1.00 0.00 C ATOM 721 CD1 ILE A 338 2.910 11.784 -3.865 1.00 0.00 C ATOM 0 H ILE A 338 -0.026 9.189 -3.698 1.00 0.00 H new ATOM 0 HA ILE A 338 1.690 8.381 -5.859 1.00 0.00 H new ATOM 0 HB ILE A 338 2.255 9.281 -3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 338 2.197 10.822 -5.658 1.00 0.00 H new ATOM 0 HG13 ILE A 338 1.000 10.926 -4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 338 4.515 9.761 -3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 338 4.130 8.025 -3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 338 4.096 9.002 -5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 338 2.630 12.780 -4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 338 2.748 11.713 -2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 338 3.963 11.607 -4.085 1.00 0.00 H new ATOM 733 N ALA A 339 1.412 6.444 -3.230 1.00 0.00 N ATOM 734 CA ALA A 339 1.665 5.099 -2.743 1.00 0.00 C ATOM 735 C ALA A 339 1.131 4.085 -3.756 1.00 0.00 C ATOM 736 O ALA A 339 1.805 3.107 -4.076 1.00 0.00 O ATOM 737 CB ALA A 339 1.034 4.929 -1.359 1.00 0.00 C ATOM 0 H ALA A 339 0.872 7.032 -2.596 1.00 0.00 H new ATOM 0 HA ALA A 339 2.736 4.925 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 339 1.224 3.920 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 339 1.469 5.652 -0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 339 -0.041 5.094 -1.427 1.00 0.00 H new ATOM 743 N SER A 340 -0.076 4.353 -4.233 1.00 0.00 N ATOM 744 CA SER A 340 -0.709 3.477 -5.204 1.00 0.00 C ATOM 745 C SER A 340 -0.005 3.599 -6.557 1.00 0.00 C ATOM 746 O SER A 340 0.207 2.601 -7.243 1.00 0.00 O ATOM 747 CB SER A 340 -2.197 3.798 -5.349 1.00 0.00 C ATOM 748 OG SER A 340 -2.492 4.408 -6.603 1.00 0.00 O ATOM 0 H SER A 340 -0.632 5.165 -3.965 1.00 0.00 H new ATOM 0 HA SER A 340 -0.620 2.451 -4.847 1.00 0.00 H new ATOM 0 HB2 SER A 340 -2.777 2.881 -5.246 1.00 0.00 H new ATOM 0 HB3 SER A 340 -2.505 4.462 -4.541 1.00 0.00 H new ATOM 0 HG SER A 340 -3.452 4.596 -6.657 1.00 0.00 H new ATOM 754 N GLN A 341 0.337 4.832 -6.900 1.00 0.00 N ATOM 755 CA GLN A 341 1.013 5.098 -8.159 1.00 0.00 C ATOM 756 C GLN A 341 2.362 4.379 -8.200 1.00 0.00 C ATOM 757 O GLN A 341 2.768 3.872 -9.245 1.00 0.00 O ATOM 758 CB GLN A 341 1.186 6.602 -8.381 1.00 0.00 C ATOM 759 CG GLN A 341 0.186 7.123 -9.414 1.00 0.00 C ATOM 760 CD GLN A 341 0.776 8.289 -10.210 1.00 0.00 C ATOM 761 OE1 GLN A 341 1.781 8.163 -10.891 1.00 0.00 O ATOM 762 NE2 GLN A 341 0.098 9.427 -10.087 1.00 0.00 N ATOM 0 H GLN A 341 0.159 5.658 -6.328 1.00 0.00 H new ATOM 0 HA GLN A 341 0.394 4.713 -8.969 1.00 0.00 H new ATOM 0 HB2 GLN A 341 1.048 7.130 -7.438 1.00 0.00 H new ATOM 0 HB3 GLN A 341 2.202 6.809 -8.717 1.00 0.00 H new ATOM 0 HG2 GLN A 341 -0.092 6.318 -10.094 1.00 0.00 H new ATOM 0 HG3 GLN A 341 -0.726 7.446 -8.912 1.00 0.00 H new ATOM 0 HE21 GLN A 341 -0.736 9.463 -9.500 1.00 0.00 H new ATOM 0 HE22 GLN A 341 0.412 10.263 -10.579 1.00 0.00 H new ATOM 771 N MET A 342 3.020 4.356 -7.050 1.00 0.00 N ATOM 772 CA MET A 342 4.315 3.707 -6.942 1.00 0.00 C ATOM 773 C MET A 342 4.203 2.208 -7.225 1.00 0.00 C ATOM 774 O MET A 342 4.997 1.654 -7.984 1.00 0.00 O ATOM 775 CB MET A 342 4.877 3.920 -5.534 1.00 0.00 C ATOM 776 CG MET A 342 5.434 5.336 -5.374 1.00 0.00 C ATOM 777 SD MET A 342 6.913 5.301 -4.377 1.00 0.00 S ATOM 778 CE MET A 342 8.080 4.678 -5.575 1.00 0.00 C ATOM 0 H MET A 342 2.680 4.777 -6.185 1.00 0.00 H new ATOM 0 HA MET A 342 4.984 4.148 -7.681 1.00 0.00 H new ATOM 0 HB2 MET A 342 4.093 3.748 -4.796 1.00 0.00 H new ATOM 0 HB3 MET A 342 5.664 3.192 -5.339 1.00 0.00 H new ATOM 0 HG2 MET A 342 5.655 5.761 -6.353 1.00 0.00 H new ATOM 0 HG3 MET A 342 4.687 5.979 -4.909 1.00 0.00 H new ATOM 0 HE1 MET A 342 9.029 5.202 -5.465 1.00 0.00 H new ATOM 0 HE2 MET A 342 8.233 3.611 -5.413 1.00 0.00 H new ATOM 0 HE3 MET A 342 7.691 4.840 -6.580 1.00 0.00 H new ATOM 788 N ILE A 343 3.209 1.593 -6.600 1.00 0.00 N ATOM 789 CA ILE A 343 2.982 0.168 -6.776 1.00 0.00 C ATOM 790 C ILE A 343 2.515 -0.096 -8.209 1.00 0.00 C ATOM 791 O ILE A 343 2.839 -1.130 -8.790 1.00 0.00 O ATOM 792 CB ILE A 343 2.021 -0.357 -5.708 1.00 0.00 C ATOM 793 CG1 ILE A 343 2.716 -0.465 -4.350 1.00 0.00 C ATOM 794 CG2 ILE A 343 1.394 -1.684 -6.140 1.00 0.00 C ATOM 795 CD1 ILE A 343 1.696 -0.658 -3.226 1.00 0.00 C ATOM 0 H ILE A 343 2.552 2.055 -5.971 1.00 0.00 H new ATOM 0 HA ILE A 343 3.910 -0.387 -6.636 1.00 0.00 H new ATOM 0 HB ILE A 343 1.209 0.361 -5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 343 3.414 -1.302 -4.360 1.00 0.00 H new ATOM 0 HG13 ILE A 343 3.301 0.436 -4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 343 0.715 -2.036 -5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 343 0.840 -1.540 -7.068 1.00 0.00 H new ATOM 0 HG23 ILE A 343 2.179 -2.423 -6.297 1.00 0.00 H new ATOM 0 HD11 ILE A 343 2.216 -0.732 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 343 1.015 0.192 -3.203 1.00 0.00 H new ATOM 0 HD13 ILE A 343 1.129 -1.572 -3.402 1.00 0.00 H new ATOM 807 N THR A 344 1.760 0.856 -8.736 1.00 0.00 N ATOM 808 CA THR A 344 1.245 0.739 -10.090 1.00 0.00 C ATOM 809 C THR A 344 2.375 0.903 -11.107 1.00 0.00 C ATOM 810 O THR A 344 2.338 0.308 -12.184 1.00 0.00 O ATOM 811 CB THR A 344 0.122 1.765 -10.259 1.00 0.00 C ATOM 812 OG1 THR A 344 -1.055 1.058 -9.879 1.00 0.00 O ATOM 813 CG2 THR A 344 -0.120 2.132 -11.724 1.00 0.00 C ATOM 0 H THR A 344 1.492 1.712 -8.250 1.00 0.00 H new ATOM 0 HA THR A 344 0.830 -0.252 -10.270 1.00 0.00 H new ATOM 0 HB THR A 344 0.366 2.665 -9.695 1.00 0.00 H new ATOM 0 HG1 THR A 344 -1.832 1.650 -9.957 1.00 0.00 H new ATOM 0 HG21 THR A 344 -0.926 2.863 -11.788 1.00 0.00 H new ATOM 0 HG22 THR A 344 0.790 2.558 -12.148 1.00 0.00 H new ATOM 0 HG23 THR A 344 -0.396 1.238 -12.282 1.00 0.00 H new ATOM 821 N GLU A 345 3.355 1.711 -10.730 1.00 0.00 N ATOM 822 CA GLU A 345 4.495 1.960 -11.596 1.00 0.00 C ATOM 823 C GLU A 345 5.535 0.849 -11.438 1.00 0.00 C ATOM 824 O GLU A 345 6.499 0.783 -12.199 1.00 0.00 O ATOM 825 CB GLU A 345 5.110 3.332 -11.312 1.00 0.00 C ATOM 826 CG GLU A 345 4.150 4.456 -11.707 1.00 0.00 C ATOM 827 CD GLU A 345 4.812 5.420 -12.693 1.00 0.00 C ATOM 828 OE1 GLU A 345 5.594 4.926 -13.533 1.00 0.00 O ATOM 829 OE2 GLU A 345 4.519 6.631 -12.585 1.00 0.00 O ATOM 0 H GLU A 345 3.383 2.202 -9.836 1.00 0.00 H new ATOM 0 HA GLU A 345 4.148 1.961 -12.629 1.00 0.00 H new ATOM 0 HB2 GLU A 345 5.354 3.413 -10.253 1.00 0.00 H new ATOM 0 HB3 GLU A 345 6.045 3.437 -11.863 1.00 0.00 H new ATOM 0 HG2 GLU A 345 3.252 4.031 -12.155 1.00 0.00 H new ATOM 0 HG3 GLU A 345 3.835 5.000 -10.817 1.00 0.00 H new ATOM 836 N GLY A 346 5.304 0.004 -10.444 1.00 0.00 N ATOM 837 CA GLY A 346 6.209 -1.101 -10.175 1.00 0.00 C ATOM 838 C GLY A 346 7.330 -0.673 -9.226 1.00 0.00 C ATOM 839 O GLY A 346 7.968 -1.514 -8.594 1.00 0.00 O ATOM 0 H GLY A 346 4.503 0.062 -9.815 1.00 0.00 H new ATOM 0 HA2 GLY A 346 5.655 -1.931 -9.738 1.00 0.00 H new ATOM 0 HA3 GLY A 346 6.637 -1.461 -11.110 1.00 0.00 H new ATOM 843 N ARG A 347 7.535 0.634 -9.155 1.00 0.00 N ATOM 844 CA ARG A 347 8.568 1.183 -8.293 1.00 0.00 C ATOM 845 C ARG A 347 8.536 0.501 -6.924 1.00 0.00 C ATOM 846 O ARG A 347 9.562 0.031 -6.436 1.00 0.00 O ATOM 847 CB ARG A 347 8.386 2.691 -8.108 1.00 0.00 C ATOM 848 CG ARG A 347 8.738 3.447 -9.391 1.00 0.00 C ATOM 849 CD ARG A 347 8.108 4.841 -9.396 1.00 0.00 C ATOM 850 NE ARG A 347 8.171 5.421 -10.757 1.00 0.00 N ATOM 851 CZ ARG A 347 7.499 6.515 -11.139 1.00 0.00 C ATOM 852 NH1 ARG A 347 6.709 7.155 -10.267 1.00 0.00 N ATOM 853 NH2 ARG A 347 7.618 6.969 -12.395 1.00 0.00 N ATOM 0 H ARG A 347 7.004 1.329 -9.680 1.00 0.00 H new ATOM 0 HA ARG A 347 9.530 1.000 -8.771 1.00 0.00 H new ATOM 0 HB2 ARG A 347 7.355 2.905 -7.827 1.00 0.00 H new ATOM 0 HB3 ARG A 347 9.018 3.040 -7.291 1.00 0.00 H new ATOM 0 HG2 ARG A 347 9.821 3.533 -9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 347 8.390 2.883 -10.257 1.00 0.00 H new ATOM 0 HD2 ARG A 347 7.071 4.782 -9.065 1.00 0.00 H new ATOM 0 HD3 ARG A 347 8.631 5.488 -8.692 1.00 0.00 H new ATOM 0 HE ARG A 347 8.763 4.959 -11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 347 6.619 6.809 -9.312 1.00 0.00 H new ATOM 0 HH12 ARG A 347 6.198 7.988 -10.558 1.00 0.00 H new ATOM 0 HH21 ARG A 347 8.220 6.481 -13.059 1.00 0.00 H new ATOM 0 HH22 ARG A 347 7.107 7.802 -12.687 1.00 0.00 H new ATOM 867 N MET A 348 7.346 0.469 -6.343 1.00 0.00 N ATOM 868 CA MET A 348 7.166 -0.148 -5.039 1.00 0.00 C ATOM 869 C MET A 348 6.508 -1.524 -5.170 1.00 0.00 C ATOM 870 O MET A 348 5.747 -1.766 -6.105 1.00 0.00 O ATOM 871 CB MET A 348 6.294 0.753 -4.163 1.00 0.00 C ATOM 872 CG MET A 348 6.382 0.340 -2.693 1.00 0.00 C ATOM 873 SD MET A 348 5.838 1.680 -1.648 1.00 0.00 S ATOM 874 CE MET A 348 4.145 1.832 -2.194 1.00 0.00 C ATOM 0 H MET A 348 6.497 0.860 -6.751 1.00 0.00 H new ATOM 0 HA MET A 348 8.146 -0.276 -4.580 1.00 0.00 H new ATOM 0 HB2 MET A 348 6.611 1.790 -4.273 1.00 0.00 H new ATOM 0 HB3 MET A 348 5.258 0.700 -4.498 1.00 0.00 H new ATOM 0 HG2 MET A 348 5.766 -0.542 -2.517 1.00 0.00 H new ATOM 0 HG3 MET A 348 7.408 0.067 -2.444 1.00 0.00 H new ATOM 0 HE1 MET A 348 3.649 2.619 -1.626 1.00 0.00 H new ATOM 0 HE2 MET A 348 4.126 2.082 -3.255 1.00 0.00 H new ATOM 0 HE3 MET A 348 3.625 0.887 -2.035 1.00 0.00 H new ATOM 884 N ASN A 349 6.826 -2.389 -4.218 1.00 0.00 N ATOM 885 CA ASN A 349 6.276 -3.734 -4.215 1.00 0.00 C ATOM 886 C ASN A 349 5.357 -3.901 -3.003 1.00 0.00 C ATOM 887 O ASN A 349 5.730 -3.551 -1.884 1.00 0.00 O ATOM 888 CB ASN A 349 7.385 -4.783 -4.116 1.00 0.00 C ATOM 889 CG ASN A 349 7.198 -5.879 -5.166 1.00 0.00 C ATOM 890 OD1 ASN A 349 7.965 -6.012 -6.106 1.00 0.00 O ATOM 891 ND2 ASN A 349 6.139 -6.655 -4.956 1.00 0.00 N ATOM 0 H ASN A 349 7.457 -2.185 -3.443 1.00 0.00 H new ATOM 0 HA ASN A 349 5.728 -3.876 -5.146 1.00 0.00 H new ATOM 0 HB2 ASN A 349 8.355 -4.306 -4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 349 7.384 -5.225 -3.120 1.00 0.00 H new ATOM 0 HD21 ASN A 349 5.928 -7.416 -5.602 1.00 0.00 H new ATOM 0 HD22 ASN A 349 5.537 -6.489 -4.149 1.00 0.00 H new ATOM 898 N GLY A 350 4.175 -4.437 -3.266 1.00 0.00 N ATOM 899 CA GLY A 350 3.200 -4.655 -2.211 1.00 0.00 C ATOM 900 C GLY A 350 1.807 -4.199 -2.649 1.00 0.00 C ATOM 901 O GLY A 350 1.537 -4.072 -3.842 1.00 0.00 O ATOM 0 H GLY A 350 3.870 -4.727 -4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 350 3.174 -5.712 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 350 3.500 -4.111 -1.316 1.00 0.00 H new ATOM 905 N PHE A 351 0.957 -3.966 -1.659 1.00 0.00 N ATOM 906 CA PHE A 351 -0.402 -3.527 -1.927 1.00 0.00 C ATOM 907 C PHE A 351 -0.896 -2.575 -0.836 1.00 0.00 C ATOM 908 O PHE A 351 -0.298 -2.490 0.236 1.00 0.00 O ATOM 909 CB PHE A 351 -1.283 -4.778 -1.932 1.00 0.00 C ATOM 910 CG PHE A 351 -1.709 -5.245 -0.539 1.00 0.00 C ATOM 911 CD1 PHE A 351 -0.931 -6.120 0.152 1.00 0.00 C ATOM 912 CD2 PHE A 351 -2.866 -4.786 0.007 1.00 0.00 C ATOM 913 CE1 PHE A 351 -1.327 -6.554 1.445 1.00 0.00 C ATOM 914 CE2 PHE A 351 -3.262 -5.219 1.300 1.00 0.00 C ATOM 915 CZ PHE A 351 -2.484 -6.094 1.992 1.00 0.00 C ATOM 0 H PHE A 351 1.183 -4.073 -0.670 1.00 0.00 H new ATOM 0 HA PHE A 351 -0.441 -2.997 -2.879 1.00 0.00 H new ATOM 0 HB2 PHE A 351 -2.175 -4.579 -2.526 1.00 0.00 H new ATOM 0 HB3 PHE A 351 -0.745 -5.587 -2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 351 -0.012 -6.485 -0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 351 -3.484 -4.092 -0.543 1.00 0.00 H new ATOM 0 HE1 PHE A 351 -0.709 -7.249 1.994 1.00 0.00 H new ATOM 0 HE2 PHE A 351 -4.181 -4.854 1.734 1.00 0.00 H new ATOM 0 HZ PHE A 351 -2.785 -6.423 2.976 1.00 0.00 H new ATOM 925 N ILE A 352 -1.982 -1.882 -1.146 1.00 0.00 N ATOM 926 CA ILE A 352 -2.563 -0.940 -0.206 1.00 0.00 C ATOM 927 C ILE A 352 -3.821 -1.552 0.412 1.00 0.00 C ATOM 928 O ILE A 352 -4.731 -1.965 -0.305 1.00 0.00 O ATOM 929 CB ILE A 352 -2.805 0.411 -0.882 1.00 0.00 C ATOM 930 CG1 ILE A 352 -1.482 1.080 -1.261 1.00 0.00 C ATOM 931 CG2 ILE A 352 -3.673 1.316 -0.005 1.00 0.00 C ATOM 932 CD1 ILE A 352 -1.708 2.521 -1.722 1.00 0.00 C ATOM 0 H ILE A 352 -2.475 -1.955 -2.036 1.00 0.00 H new ATOM 0 HA ILE A 352 -1.870 -0.742 0.612 1.00 0.00 H new ATOM 0 HB ILE A 352 -3.354 0.235 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 352 -0.807 1.070 -0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 352 -0.998 0.512 -2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 352 -3.829 2.270 -0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 352 -4.636 0.837 0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 352 -3.173 1.487 0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 352 -0.752 2.973 -1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 352 -2.364 2.526 -2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 352 -2.170 3.092 -0.917 1.00 0.00 H new ATOM 944 N ASP A 353 -3.832 -1.592 1.737 1.00 0.00 N ATOM 945 CA ASP A 353 -4.963 -2.148 2.459 1.00 0.00 C ATOM 946 C ASP A 353 -5.991 -1.043 2.715 1.00 0.00 C ATOM 947 O ASP A 353 -5.751 -0.140 3.515 1.00 0.00 O ATOM 948 CB ASP A 353 -4.529 -2.712 3.813 1.00 0.00 C ATOM 949 CG ASP A 353 -5.648 -3.354 4.636 1.00 0.00 C ATOM 950 OD1 ASP A 353 -6.799 -3.324 4.149 1.00 0.00 O ATOM 951 OD2 ASP A 353 -5.327 -3.861 5.732 1.00 0.00 O ATOM 0 H ASP A 353 -3.075 -1.248 2.329 1.00 0.00 H new ATOM 0 HA ASP A 353 -5.388 -2.949 1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 353 -3.749 -3.455 3.647 1.00 0.00 H new ATOM 0 HB3 ASP A 353 -4.084 -1.908 4.399 1.00 0.00 H new ATOM 956 N GLN A 354 -7.115 -1.153 2.022 1.00 0.00 N ATOM 957 CA GLN A 354 -8.180 -0.175 2.164 1.00 0.00 C ATOM 958 C GLN A 354 -9.044 -0.505 3.382 1.00 0.00 C ATOM 959 O GLN A 354 -9.801 0.340 3.858 1.00 0.00 O ATOM 960 CB GLN A 354 -9.029 -0.100 0.893 1.00 0.00 C ATOM 961 CG GLN A 354 -8.295 0.663 -0.212 1.00 0.00 C ATOM 962 CD GLN A 354 -9.217 1.689 -0.875 1.00 0.00 C ATOM 963 OE1 GLN A 354 -9.568 2.708 -0.302 1.00 0.00 O ATOM 964 NE2 GLN A 354 -9.589 1.364 -2.110 1.00 0.00 N ATOM 0 H GLN A 354 -7.311 -1.904 1.361 1.00 0.00 H new ATOM 0 HA GLN A 354 -7.729 0.805 2.318 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -9.265 -1.107 0.549 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -9.976 0.393 1.113 1.00 0.00 H new ATOM 0 HG2 GLN A 354 -7.424 1.168 0.206 1.00 0.00 H new ATOM 0 HG3 GLN A 354 -7.927 -0.039 -0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -9.258 0.495 -2.530 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -10.205 1.983 -2.637 1.00 0.00 H new ATOM 973 N ILE A 355 -8.903 -1.736 3.852 1.00 0.00 N ATOM 974 CA ILE A 355 -9.662 -2.188 5.005 1.00 0.00 C ATOM 975 C ILE A 355 -9.150 -1.475 6.259 1.00 0.00 C ATOM 976 O ILE A 355 -9.938 -1.056 7.105 1.00 0.00 O ATOM 977 CB ILE A 355 -9.624 -3.714 5.107 1.00 0.00 C ATOM 978 CG1 ILE A 355 -10.148 -4.362 3.824 1.00 0.00 C ATOM 979 CG2 ILE A 355 -10.380 -4.200 6.345 1.00 0.00 C ATOM 980 CD1 ILE A 355 -9.463 -5.707 3.570 1.00 0.00 C ATOM 0 H ILE A 355 -8.274 -2.434 3.455 1.00 0.00 H new ATOM 0 HA ILE A 355 -10.714 -1.925 4.895 1.00 0.00 H new ATOM 0 HB ILE A 355 -8.585 -4.023 5.223 1.00 0.00 H new ATOM 0 HG12 ILE A 355 -11.226 -4.507 3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 355 -9.974 -3.696 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 355 -10.337 -5.288 6.393 1.00 0.00 H new ATOM 0 HG22 ILE A 355 -9.922 -3.779 7.240 1.00 0.00 H new ATOM 0 HG23 ILE A 355 -11.420 -3.880 6.285 1.00 0.00 H new ATOM 0 HD11 ILE A 355 -9.853 -6.147 2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 355 -8.388 -5.555 3.471 1.00 0.00 H new ATOM 0 HD13 ILE A 355 -9.659 -6.379 4.406 1.00 0.00 H new ATOM 992 N ASP A 356 -7.832 -1.359 6.338 1.00 0.00 N ATOM 993 CA ASP A 356 -7.206 -0.704 7.473 1.00 0.00 C ATOM 994 C ASP A 356 -6.646 0.650 7.031 1.00 0.00 C ATOM 995 O ASP A 356 -6.291 1.481 7.865 1.00 0.00 O ATOM 996 CB ASP A 356 -6.046 -1.539 8.020 1.00 0.00 C ATOM 997 CG ASP A 356 -6.432 -2.555 9.097 1.00 0.00 C ATOM 998 OD1 ASP A 356 -7.100 -3.546 8.728 1.00 0.00 O ATOM 999 OD2 ASP A 356 -6.052 -2.318 10.263 1.00 0.00 O ATOM 0 H ASP A 356 -7.181 -1.708 5.634 1.00 0.00 H new ATOM 0 HA ASP A 356 -7.961 -0.582 8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 356 -5.578 -2.071 7.191 1.00 0.00 H new ATOM 0 HB3 ASP A 356 -5.295 -0.865 8.431 1.00 0.00 H new ATOM 1004 N GLY A 357 -6.585 0.828 5.719 1.00 0.00 N ATOM 1005 CA GLY A 357 -6.074 2.067 5.156 1.00 0.00 C ATOM 1006 C GLY A 357 -4.578 2.221 5.436 1.00 0.00 C ATOM 1007 O GLY A 357 -4.076 3.338 5.552 1.00 0.00 O ATOM 0 H GLY A 357 -6.881 0.136 5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 357 -6.250 2.081 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 357 -6.616 2.913 5.579 1.00 0.00 H new ATOM 1011 N ILE A 358 -3.907 1.082 5.537 1.00 0.00 N ATOM 1012 CA ILE A 358 -2.478 1.077 5.801 1.00 0.00 C ATOM 1013 C ILE A 358 -1.739 0.546 4.571 1.00 0.00 C ATOM 1014 O ILE A 358 -2.240 -0.335 3.873 1.00 0.00 O ATOM 1015 CB ILE A 358 -2.174 0.301 7.084 1.00 0.00 C ATOM 1016 CG1 ILE A 358 -2.917 0.903 8.278 1.00 0.00 C ATOM 1017 CG2 ILE A 358 -0.666 0.218 7.330 1.00 0.00 C ATOM 1018 CD1 ILE A 358 -2.883 -0.045 9.479 1.00 0.00 C ATOM 0 H ILE A 358 -4.326 0.157 5.441 1.00 0.00 H new ATOM 0 HA ILE A 358 -2.118 2.091 5.976 1.00 0.00 H new ATOM 0 HB ILE A 358 -2.537 -0.719 6.960 1.00 0.00 H new ATOM 0 HG12 ILE A 358 -2.464 1.856 8.550 1.00 0.00 H new ATOM 0 HG13 ILE A 358 -3.951 1.109 8.001 1.00 0.00 H new ATOM 0 HG21 ILE A 358 -0.477 -0.339 8.248 1.00 0.00 H new ATOM 0 HG22 ILE A 358 -0.188 -0.290 6.493 1.00 0.00 H new ATOM 0 HG23 ILE A 358 -0.257 1.224 7.425 1.00 0.00 H new ATOM 0 HD11 ILE A 358 -3.418 0.407 10.314 1.00 0.00 H new ATOM 0 HD12 ILE A 358 -3.358 -0.989 9.211 1.00 0.00 H new ATOM 0 HD13 ILE A 358 -1.848 -0.229 9.768 1.00 0.00 H new ATOM 1030 N VAL A 359 -0.559 1.104 4.343 1.00 0.00 N ATOM 1031 CA VAL A 359 0.254 0.698 3.210 1.00 0.00 C ATOM 1032 C VAL A 359 1.131 -0.489 3.616 1.00 0.00 C ATOM 1033 O VAL A 359 1.826 -0.434 4.629 1.00 0.00 O ATOM 1034 CB VAL A 359 1.063 1.889 2.692 1.00 0.00 C ATOM 1035 CG1 VAL A 359 2.042 1.454 1.600 1.00 0.00 C ATOM 1036 CG2 VAL A 359 0.140 3.001 2.190 1.00 0.00 C ATOM 0 H VAL A 359 -0.147 1.834 4.924 1.00 0.00 H new ATOM 0 HA VAL A 359 -0.378 0.369 2.385 1.00 0.00 H new ATOM 0 HB VAL A 359 1.645 2.286 3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 359 2.604 2.320 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 359 2.732 0.713 2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 359 1.489 1.019 0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 359 0.740 3.836 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 359 -0.480 2.620 1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 359 -0.498 3.340 3.006 1.00 0.00 H new ATOM 1046 N HIS A 360 1.070 -1.534 2.804 1.00 0.00 N ATOM 1047 CA HIS A 360 1.849 -2.732 3.066 1.00 0.00 C ATOM 1048 C HIS A 360 3.127 -2.707 2.224 1.00 0.00 C ATOM 1049 O HIS A 360 3.072 -2.830 1.002 1.00 0.00 O ATOM 1050 CB HIS A 360 1.009 -3.989 2.831 1.00 0.00 C ATOM 1051 CG HIS A 360 0.553 -4.668 4.100 1.00 0.00 C ATOM 1052 ND1 HIS A 360 1.093 -5.862 4.547 1.00 0.00 N ATOM 1053 CD2 HIS A 360 -0.396 -4.309 5.011 1.00 0.00 C ATOM 1054 CE1 HIS A 360 0.488 -6.197 5.677 1.00 0.00 C ATOM 1055 NE2 HIS A 360 -0.435 -5.234 5.963 1.00 0.00 N ATOM 0 H HIS A 360 0.493 -1.576 1.964 1.00 0.00 H new ATOM 0 HA HIS A 360 2.146 -2.755 4.115 1.00 0.00 H new ATOM 0 HB2 HIS A 360 0.134 -3.723 2.238 1.00 0.00 H new ATOM 0 HB3 HIS A 360 1.590 -4.697 2.241 1.00 0.00 H new ATOM 0 HD2 HIS A 360 -1.012 -3.423 4.966 1.00 0.00 H new ATOM 0 HE1 HIS A 360 0.690 -7.078 6.268 1.00 0.00 H new ATOM 0 HE2 HIS A 360 -1.053 -5.226 6.774 1.00 0.00 H new ATOM 1063 N PHE A 361 4.248 -2.546 2.913 1.00 0.00 N ATOM 1064 CA PHE A 361 5.537 -2.504 2.244 1.00 0.00 C ATOM 1065 C PHE A 361 6.188 -3.888 2.220 1.00 0.00 C ATOM 1066 O PHE A 361 5.965 -4.698 3.118 1.00 0.00 O ATOM 1067 CB PHE A 361 6.425 -1.549 3.045 1.00 0.00 C ATOM 1068 CG PHE A 361 6.010 -0.080 2.943 1.00 0.00 C ATOM 1069 CD1 PHE A 361 5.577 0.423 1.756 1.00 0.00 C ATOM 1070 CD2 PHE A 361 6.075 0.723 4.039 1.00 0.00 C ATOM 1071 CE1 PHE A 361 5.192 1.787 1.662 1.00 0.00 C ATOM 1072 CE2 PHE A 361 5.690 2.086 3.944 1.00 0.00 C ATOM 1073 CZ PHE A 361 5.257 2.590 2.758 1.00 0.00 C ATOM 0 H PHE A 361 4.290 -2.443 3.927 1.00 0.00 H new ATOM 0 HA PHE A 361 5.411 -2.174 1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 361 6.410 -1.848 4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 361 7.454 -1.650 2.699 1.00 0.00 H new ATOM 0 HD1 PHE A 361 5.526 -0.214 0.885 1.00 0.00 H new ATOM 0 HD2 PHE A 361 6.420 0.324 4.981 1.00 0.00 H new ATOM 0 HE1 PHE A 361 4.847 2.187 0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 361 5.741 2.723 4.815 1.00 0.00 H new ATOM 0 HZ PHE A 361 4.965 3.627 2.686 1.00 0.00 H new ATOM 1083 N GLU A 362 6.980 -4.116 1.182 1.00 0.00 N ATOM 1084 CA GLU A 362 7.665 -5.388 1.029 1.00 0.00 C ATOM 1085 C GLU A 362 9.153 -5.231 1.349 1.00 0.00 C ATOM 1086 O GLU A 362 9.717 -4.150 1.184 1.00 0.00 O ATOM 1087 CB GLU A 362 7.463 -5.954 -0.378 1.00 0.00 C ATOM 1088 CG GLU A 362 8.598 -6.909 -0.753 1.00 0.00 C ATOM 1089 CD GLU A 362 8.356 -7.535 -2.128 1.00 0.00 C ATOM 1090 OE1 GLU A 362 7.528 -8.469 -2.189 1.00 0.00 O ATOM 1091 OE2 GLU A 362 9.005 -7.064 -3.087 1.00 0.00 O ATOM 0 H GLU A 362 7.162 -3.441 0.439 1.00 0.00 H new ATOM 0 HA GLU A 362 7.234 -6.098 1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 362 6.509 -6.479 -0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 362 7.417 -5.138 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 362 9.545 -6.370 -0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 362 8.681 -7.694 -0.001 1.00 0.00 H new