USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=8 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= -0.0197 X(o=-0.02,f=-0.2) USER MOD Single : A 308 ASN : amide:sc= -6.42! C(o=-6.4!,f=-9.1!) USER MOD Single : A 311 SER OG : rot 180:sc= 0 USER MOD Single : A 313 SER OG : rot -66:sc= 1.22 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= -0.0096 X(o=-0.0096,f=-0.26) USER MOD Single : A 318 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.27) USER MOD Single : A 320 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 SER OG : rot 180:sc= -0.0228 USER MOD Single : A 341 GLN : amide:sc= -0.0318 X(o=-0.032,f=-0.38) USER MOD Single : A 342 MET CE :methyl -178:sc= -8.51! (180deg=-8.59!) USER MOD Single : A 344 THR OG1 : rot 87:sc= 0.046 USER MOD Single : A 348 MET CE :methyl -157:sc= -1.37 (180deg=-2.21) USER MOD Single : A 349 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 354 GLN : amide:sc= -0.0494 X(o=-0.049,f=-0.5) USER MOD Single : A 360 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 145 N ARG A 302 8.392 15.541 -5.966 1.00 0.00 N ATOM 146 CA ARG A 302 7.782 14.267 -6.307 1.00 0.00 C ATOM 147 C ARG A 302 8.850 13.175 -6.396 1.00 0.00 C ATOM 148 O ARG A 302 8.571 12.006 -6.133 1.00 0.00 O ATOM 149 CB ARG A 302 7.037 14.352 -7.641 1.00 0.00 C ATOM 150 CG ARG A 302 6.083 13.168 -7.812 1.00 0.00 C ATOM 151 CD ARG A 302 4.632 13.596 -7.584 1.00 0.00 C ATOM 152 NE ARG A 302 4.060 14.135 -8.838 1.00 0.00 N ATOM 153 CZ ARG A 302 2.755 14.376 -9.027 1.00 0.00 C ATOM 154 NH1 ARG A 302 1.879 14.127 -8.044 1.00 0.00 N ATOM 155 NH2 ARG A 302 2.326 14.865 -10.198 1.00 0.00 N ATOM 0 HA ARG A 302 7.069 14.020 -5.521 1.00 0.00 H new ATOM 0 HB2 ARG A 302 6.476 15.285 -7.690 1.00 0.00 H new ATOM 0 HB3 ARG A 302 7.754 14.368 -8.462 1.00 0.00 H new ATOM 0 HG2 ARG A 302 6.190 12.752 -8.814 1.00 0.00 H new ATOM 0 HG3 ARG A 302 6.348 12.378 -7.109 1.00 0.00 H new ATOM 0 HD2 ARG A 302 4.043 12.745 -7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 302 4.586 14.351 -6.800 1.00 0.00 H new ATOM 0 HE ARG A 302 4.699 14.336 -9.607 1.00 0.00 H new ATOM 0 HH11 ARG A 302 2.205 13.754 -7.152 1.00 0.00 H new ATOM 0 HH12 ARG A 302 0.886 14.310 -8.187 1.00 0.00 H new ATOM 0 HH21 ARG A 302 2.993 15.054 -10.947 1.00 0.00 H new ATOM 0 HH22 ARG A 302 1.333 15.048 -10.341 1.00 0.00 H new ATOM 169 N ALA A 303 10.050 13.594 -6.768 1.00 0.00 N ATOM 170 CA ALA A 303 11.161 12.666 -6.895 1.00 0.00 C ATOM 171 C ALA A 303 11.575 12.180 -5.505 1.00 0.00 C ATOM 172 O ALA A 303 11.961 11.024 -5.337 1.00 0.00 O ATOM 173 CB ALA A 303 12.311 13.345 -7.642 1.00 0.00 C ATOM 0 H ALA A 303 10.278 14.564 -6.986 1.00 0.00 H new ATOM 0 HA ALA A 303 10.866 11.792 -7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 303 13.144 12.649 -7.737 1.00 0.00 H new ATOM 0 HB2 ALA A 303 11.974 13.645 -8.634 1.00 0.00 H new ATOM 0 HB3 ALA A 303 12.635 14.226 -7.087 1.00 0.00 H new ATOM 179 N VAL A 304 11.482 13.087 -4.544 1.00 0.00 N ATOM 180 CA VAL A 304 11.843 12.765 -3.173 1.00 0.00 C ATOM 181 C VAL A 304 10.776 11.847 -2.572 1.00 0.00 C ATOM 182 O VAL A 304 11.100 10.837 -1.951 1.00 0.00 O ATOM 183 CB VAL A 304 12.046 14.051 -2.370 1.00 0.00 C ATOM 184 CG1 VAL A 304 11.945 13.781 -0.867 1.00 0.00 C ATOM 185 CG2 VAL A 304 13.382 14.710 -2.720 1.00 0.00 C ATOM 0 H VAL A 304 11.162 14.045 -4.687 1.00 0.00 H new ATOM 0 HA VAL A 304 12.790 12.226 -3.143 1.00 0.00 H new ATOM 0 HB VAL A 304 11.249 14.744 -2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 304 12.093 14.712 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 304 10.960 13.377 -0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 304 12.710 13.062 -0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 304 13.502 15.622 -2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 304 14.197 14.023 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 304 13.400 14.955 -3.782 1.00 0.00 H new ATOM 195 N ILE A 305 9.525 12.232 -2.779 1.00 0.00 N ATOM 196 CA ILE A 305 8.409 11.457 -2.265 1.00 0.00 C ATOM 197 C ILE A 305 8.460 10.046 -2.854 1.00 0.00 C ATOM 198 O ILE A 305 8.203 9.067 -2.154 1.00 0.00 O ATOM 199 CB ILE A 305 7.088 12.183 -2.524 1.00 0.00 C ATOM 200 CG1 ILE A 305 7.009 13.482 -1.718 1.00 0.00 C ATOM 201 CG2 ILE A 305 5.894 11.266 -2.250 1.00 0.00 C ATOM 202 CD1 ILE A 305 6.388 14.606 -2.549 1.00 0.00 C ATOM 0 H ILE A 305 9.260 13.071 -3.296 1.00 0.00 H new ATOM 0 HA ILE A 305 8.483 11.355 -1.182 1.00 0.00 H new ATOM 0 HB ILE A 305 7.050 12.455 -3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 305 6.416 13.320 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 305 8.008 13.774 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 305 4.968 11.808 -2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 305 5.947 10.395 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 305 5.916 10.942 -1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 305 6.344 15.517 -1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 305 6.997 14.782 -3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 305 5.380 14.321 -2.851 1.00 0.00 H new ATOM 214 N GLU A 306 8.794 9.985 -4.135 1.00 0.00 N ATOM 215 CA GLU A 306 8.883 8.710 -4.825 1.00 0.00 C ATOM 216 C GLU A 306 9.908 7.805 -4.140 1.00 0.00 C ATOM 217 O GLU A 306 9.625 6.641 -3.860 1.00 0.00 O ATOM 218 CB GLU A 306 9.228 8.909 -6.303 1.00 0.00 C ATOM 219 CG GLU A 306 7.961 9.006 -7.154 1.00 0.00 C ATOM 220 CD GLU A 306 8.258 8.682 -8.619 1.00 0.00 C ATOM 221 OE1 GLU A 306 9.455 8.722 -8.978 1.00 0.00 O ATOM 222 OE2 GLU A 306 7.282 8.400 -9.348 1.00 0.00 O ATOM 0 H GLU A 306 9.006 10.798 -4.713 1.00 0.00 H new ATOM 0 HA GLU A 306 7.909 8.224 -4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 306 9.821 9.816 -6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 306 9.842 8.078 -6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 306 7.208 8.317 -6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 306 7.543 10.010 -7.077 1.00 0.00 H new ATOM 229 N HIS A 307 11.078 8.374 -3.889 1.00 0.00 N ATOM 230 CA HIS A 307 12.147 7.633 -3.241 1.00 0.00 C ATOM 231 C HIS A 307 11.796 7.406 -1.769 1.00 0.00 C ATOM 232 O HIS A 307 11.969 6.306 -1.248 1.00 0.00 O ATOM 233 CB HIS A 307 13.490 8.341 -3.428 1.00 0.00 C ATOM 234 CG HIS A 307 14.688 7.434 -3.282 1.00 0.00 C ATOM 235 ND1 HIS A 307 14.852 6.282 -4.032 1.00 0.00 N ATOM 236 CD2 HIS A 307 15.779 7.521 -2.468 1.00 0.00 C ATOM 237 CE1 HIS A 307 15.993 5.710 -3.675 1.00 0.00 C ATOM 238 NE2 HIS A 307 16.565 6.479 -2.705 1.00 0.00 N ATOM 0 H HIS A 307 11.309 9.340 -4.123 1.00 0.00 H new ATOM 0 HA HIS A 307 12.250 6.654 -3.709 1.00 0.00 H new ATOM 0 HB2 HIS A 307 13.513 8.800 -4.417 1.00 0.00 H new ATOM 0 HB3 HIS A 307 13.568 9.149 -2.700 1.00 0.00 H new ATOM 0 HD2 HIS A 307 15.971 8.306 -1.751 1.00 0.00 H new ATOM 0 HE1 HIS A 307 16.399 4.795 -4.081 1.00 0.00 H new ATOM 0 HE2 HIS A 307 17.451 6.285 -2.239 1.00 0.00 H new ATOM 246 N ASN A 308 11.309 8.466 -1.140 1.00 0.00 N ATOM 247 CA ASN A 308 10.932 8.397 0.261 1.00 0.00 C ATOM 248 C ASN A 308 9.950 7.242 0.465 1.00 0.00 C ATOM 249 O ASN A 308 9.943 6.607 1.518 1.00 0.00 O ATOM 250 CB ASN A 308 10.244 9.688 0.711 1.00 0.00 C ATOM 251 CG ASN A 308 11.207 10.875 0.642 1.00 0.00 C ATOM 252 OD1 ASN A 308 12.305 10.787 0.118 1.00 0.00 O ATOM 253 ND2 ASN A 308 10.736 11.987 1.199 1.00 0.00 N ATOM 0 H ASN A 308 11.167 9.377 -1.575 1.00 0.00 H new ATOM 0 HA ASN A 308 11.839 8.249 0.847 1.00 0.00 H new ATOM 0 HB2 ASN A 308 9.377 9.881 0.080 1.00 0.00 H new ATOM 0 HB3 ASN A 308 9.876 9.572 1.731 1.00 0.00 H new ATOM 0 HD21 ASN A 308 11.303 12.835 1.204 1.00 0.00 H new ATOM 0 HD22 ASN A 308 9.807 11.992 1.621 1.00 0.00 H new ATOM 260 N LEU A 309 9.144 7.006 -0.560 1.00 0.00 N ATOM 261 CA LEU A 309 8.159 5.938 -0.507 1.00 0.00 C ATOM 262 C LEU A 309 8.876 4.587 -0.550 1.00 0.00 C ATOM 263 O LEU A 309 8.600 3.708 0.265 1.00 0.00 O ATOM 264 CB LEU A 309 7.116 6.117 -1.612 1.00 0.00 C ATOM 265 CG LEU A 309 5.653 6.078 -1.166 1.00 0.00 C ATOM 266 CD1 LEU A 309 5.357 7.195 -0.162 1.00 0.00 C ATOM 267 CD2 LEU A 309 4.711 6.126 -2.370 1.00 0.00 C ATOM 0 H LEU A 309 9.153 7.536 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 309 7.605 5.975 0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 309 7.299 7.071 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 309 7.269 5.337 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 309 5.476 5.131 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 309 4.311 7.145 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 309 5.993 7.074 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 309 5.556 8.162 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 309 3.678 6.097 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 309 4.881 7.046 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 309 4.902 5.269 -3.016 1.00 0.00 H new ATOM 279 N LEU A 310 9.782 4.464 -1.509 1.00 0.00 N ATOM 280 CA LEU A 310 10.539 3.234 -1.668 1.00 0.00 C ATOM 281 C LEU A 310 11.409 3.012 -0.429 1.00 0.00 C ATOM 282 O LEU A 310 11.470 1.903 0.099 1.00 0.00 O ATOM 283 CB LEU A 310 11.330 3.259 -2.978 1.00 0.00 C ATOM 284 CG LEU A 310 10.526 2.991 -4.252 1.00 0.00 C ATOM 285 CD1 LEU A 310 10.668 1.532 -4.693 1.00 0.00 C ATOM 286 CD2 LEU A 310 9.062 3.396 -4.072 1.00 0.00 C ATOM 0 H LEU A 310 10.009 5.195 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 310 9.867 2.379 -1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 310 11.808 4.234 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 310 12.127 2.518 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 310 10.935 3.610 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 310 10.087 1.368 -5.601 1.00 0.00 H new ATOM 0 HD12 LEU A 310 11.717 1.312 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 310 10.301 0.876 -3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 310 8.513 3.195 -4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 310 8.624 2.822 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 310 9.005 4.460 -3.840 1.00 0.00 H new ATOM 298 N SER A 311 12.059 4.084 -0.002 1.00 0.00 N ATOM 299 CA SER A 311 12.923 4.020 1.165 1.00 0.00 C ATOM 300 C SER A 311 12.116 3.580 2.389 1.00 0.00 C ATOM 301 O SER A 311 12.586 2.773 3.190 1.00 0.00 O ATOM 302 CB SER A 311 13.594 5.369 1.429 1.00 0.00 C ATOM 303 OG SER A 311 14.686 5.603 0.545 1.00 0.00 O ATOM 0 H SER A 311 12.005 5.002 -0.443 1.00 0.00 H new ATOM 0 HA SER A 311 13.707 3.288 0.971 1.00 0.00 H new ATOM 0 HB2 SER A 311 12.860 6.167 1.318 1.00 0.00 H new ATOM 0 HB3 SER A 311 13.948 5.403 2.459 1.00 0.00 H new ATOM 0 HG SER A 311 15.087 6.475 0.744 1.00 0.00 H new ATOM 309 N ALA A 312 10.916 4.130 2.496 1.00 0.00 N ATOM 310 CA ALA A 312 10.039 3.805 3.608 1.00 0.00 C ATOM 311 C ALA A 312 9.623 2.336 3.511 1.00 0.00 C ATOM 312 O ALA A 312 9.233 1.730 4.509 1.00 0.00 O ATOM 313 CB ALA A 312 8.838 4.752 3.606 1.00 0.00 C ATOM 0 H ALA A 312 10.530 4.799 1.830 1.00 0.00 H new ATOM 0 HA ALA A 312 10.558 3.939 4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 312 8.181 4.508 4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 312 9.185 5.780 3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 312 8.291 4.644 2.669 1.00 0.00 H new ATOM 319 N SER A 313 9.721 1.805 2.301 1.00 0.00 N ATOM 320 CA SER A 313 9.360 0.418 2.062 1.00 0.00 C ATOM 321 C SER A 313 10.361 -0.511 2.751 1.00 0.00 C ATOM 322 O SER A 313 9.997 -1.594 3.206 1.00 0.00 O ATOM 323 CB SER A 313 9.300 0.115 0.563 1.00 0.00 C ATOM 324 OG SER A 313 10.525 -0.427 0.079 1.00 0.00 O ATOM 0 H SER A 313 10.045 2.310 1.476 1.00 0.00 H new ATOM 0 HA SER A 313 8.368 0.247 2.481 1.00 0.00 H new ATOM 0 HB2 SER A 313 8.490 -0.588 0.367 1.00 0.00 H new ATOM 0 HB3 SER A 313 9.067 1.029 0.017 1.00 0.00 H new ATOM 0 HG SER A 313 11.231 0.250 0.145 1.00 0.00 H new ATOM 330 N LYS A 314 11.603 -0.052 2.806 1.00 0.00 N ATOM 331 CA LYS A 314 12.660 -0.829 3.433 1.00 0.00 C ATOM 332 C LYS A 314 13.046 -0.177 4.762 1.00 0.00 C ATOM 333 O LYS A 314 14.207 -0.219 5.164 1.00 0.00 O ATOM 334 CB LYS A 314 13.836 -1.006 2.471 1.00 0.00 C ATOM 335 CG LYS A 314 13.440 -1.873 1.274 1.00 0.00 C ATOM 336 CD LYS A 314 14.608 -2.753 0.824 1.00 0.00 C ATOM 337 CE LYS A 314 14.784 -2.696 -0.695 1.00 0.00 C ATOM 338 NZ LYS A 314 15.604 -1.526 -1.078 1.00 0.00 N ATOM 0 H LYS A 314 11.901 0.847 2.427 1.00 0.00 H new ATOM 0 HA LYS A 314 12.310 -1.836 3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 314 14.175 -0.031 2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 314 14.674 -1.465 2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 314 12.589 -2.500 1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 314 13.121 -1.236 0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 314 15.525 -2.424 1.313 1.00 0.00 H new ATOM 0 HD3 LYS A 314 14.433 -3.783 1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 314 15.260 -3.612 -1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 314 13.809 -2.638 -1.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 314 15.714 -1.502 -2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 314 15.135 -0.654 -0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 314 16.541 -1.598 -0.632 1.00 0.00 H new ATOM 352 N LEU A 315 12.049 0.409 5.408 1.00 0.00 N ATOM 353 CA LEU A 315 12.269 1.068 6.684 1.00 0.00 C ATOM 354 C LEU A 315 11.121 0.726 7.636 1.00 0.00 C ATOM 355 O LEU A 315 11.325 0.052 8.644 1.00 0.00 O ATOM 356 CB LEU A 315 12.473 2.571 6.483 1.00 0.00 C ATOM 357 CG LEU A 315 13.911 3.024 6.225 1.00 0.00 C ATOM 358 CD1 LEU A 315 13.940 4.366 5.491 1.00 0.00 C ATOM 359 CD2 LEU A 315 14.715 3.066 7.527 1.00 0.00 C ATOM 0 H LEU A 315 11.087 0.441 5.072 1.00 0.00 H new ATOM 0 HA LEU A 315 13.186 0.704 7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 315 11.856 2.892 5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 315 12.103 3.089 7.368 1.00 0.00 H new ATOM 0 HG LEU A 315 14.388 2.291 5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 315 14.974 4.665 5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 315 13.428 4.268 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 315 13.439 5.122 6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 315 15.734 3.391 7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 315 14.248 3.765 8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 315 14.737 2.072 7.973 1.00 0.00 H new ATOM 371 N TYR A 316 9.938 1.205 7.281 1.00 0.00 N ATOM 372 CA TYR A 316 8.757 0.958 8.090 1.00 0.00 C ATOM 373 C TYR A 316 7.999 -0.274 7.592 1.00 0.00 C ATOM 374 O TYR A 316 7.509 -0.292 6.464 1.00 0.00 O ATOM 375 CB TYR A 316 7.866 2.191 7.924 1.00 0.00 C ATOM 376 CG TYR A 316 8.466 3.474 8.503 1.00 0.00 C ATOM 377 CD1 TYR A 316 9.467 4.136 7.822 1.00 0.00 C ATOM 378 CD2 TYR A 316 8.006 3.970 9.706 1.00 0.00 C ATOM 379 CE1 TYR A 316 10.032 5.344 8.366 1.00 0.00 C ATOM 380 CE2 TYR A 316 8.570 5.178 10.250 1.00 0.00 C ATOM 381 CZ TYR A 316 9.556 5.805 9.554 1.00 0.00 C ATOM 382 OH TYR A 316 10.089 6.946 10.068 1.00 0.00 O ATOM 0 H TYR A 316 9.772 1.763 6.444 1.00 0.00 H new ATOM 0 HA TYR A 316 9.035 0.779 9.129 1.00 0.00 H new ATOM 0 HB2 TYR A 316 7.666 2.342 6.863 1.00 0.00 H new ATOM 0 HB3 TYR A 316 6.907 2.001 8.405 1.00 0.00 H new ATOM 0 HD1 TYR A 316 9.827 3.748 6.881 1.00 0.00 H new ATOM 0 HD2 TYR A 316 7.223 3.452 10.239 1.00 0.00 H new ATOM 0 HE1 TYR A 316 10.816 5.872 7.843 1.00 0.00 H new ATOM 0 HE2 TYR A 316 8.218 5.577 11.190 1.00 0.00 H new ATOM 0 HH TYR A 316 9.652 7.157 10.920 1.00 0.00 H new ATOM 392 N ASN A 317 7.926 -1.274 8.458 1.00 0.00 N ATOM 393 CA ASN A 317 7.236 -2.508 8.120 1.00 0.00 C ATOM 394 C ASN A 317 5.846 -2.176 7.572 1.00 0.00 C ATOM 395 O ASN A 317 5.371 -2.824 6.641 1.00 0.00 O ATOM 396 CB ASN A 317 7.058 -3.395 9.354 1.00 0.00 C ATOM 397 CG ASN A 317 7.994 -4.604 9.299 1.00 0.00 C ATOM 398 OD1 ASN A 317 8.080 -5.310 8.308 1.00 0.00 O ATOM 399 ND2 ASN A 317 8.687 -4.803 10.417 1.00 0.00 N ATOM 0 H ASN A 317 8.333 -1.255 9.393 1.00 0.00 H new ATOM 0 HA ASN A 317 7.835 -3.037 7.379 1.00 0.00 H new ATOM 0 HB2 ASN A 317 7.259 -2.815 10.255 1.00 0.00 H new ATOM 0 HB3 ASN A 317 6.024 -3.734 9.417 1.00 0.00 H new ATOM 0 HD21 ASN A 317 9.338 -5.585 10.481 1.00 0.00 H new ATOM 0 HD22 ASN A 317 8.567 -4.173 11.210 1.00 0.00 H new ATOM 406 N ASN A 318 5.234 -1.166 8.173 1.00 0.00 N ATOM 407 CA ASN A 318 3.908 -0.741 7.757 1.00 0.00 C ATOM 408 C ASN A 318 3.643 0.672 8.280 1.00 0.00 C ATOM 409 O ASN A 318 3.949 0.980 9.431 1.00 0.00 O ATOM 410 CB ASN A 318 2.829 -1.665 8.325 1.00 0.00 C ATOM 411 CG ASN A 318 3.371 -2.485 9.498 1.00 0.00 C ATOM 412 OD1 ASN A 318 3.331 -3.704 9.508 1.00 0.00 O ATOM 413 ND2 ASN A 318 3.880 -1.750 10.482 1.00 0.00 N ATOM 0 H ASN A 318 5.632 -0.630 8.944 1.00 0.00 H new ATOM 0 HA ASN A 318 3.871 -0.771 6.668 1.00 0.00 H new ATOM 0 HB2 ASN A 318 1.975 -1.073 8.654 1.00 0.00 H new ATOM 0 HB3 ASN A 318 2.470 -2.335 7.543 1.00 0.00 H new ATOM 0 HD21 ASN A 318 4.268 -2.204 11.309 1.00 0.00 H new ATOM 0 HD22 ASN A 318 3.882 -0.733 10.410 1.00 0.00 H new ATOM 420 N ILE A 319 3.077 1.495 7.408 1.00 0.00 N ATOM 421 CA ILE A 319 2.768 2.868 7.768 1.00 0.00 C ATOM 422 C ILE A 319 1.475 3.295 7.069 1.00 0.00 C ATOM 423 O ILE A 319 1.228 2.913 5.926 1.00 0.00 O ATOM 424 CB ILE A 319 3.959 3.781 7.469 1.00 0.00 C ATOM 425 CG1 ILE A 319 3.704 5.200 7.983 1.00 0.00 C ATOM 426 CG2 ILE A 319 4.302 3.765 5.978 1.00 0.00 C ATOM 427 CD1 ILE A 319 4.970 6.054 7.886 1.00 0.00 C ATOM 0 H ILE A 319 2.825 1.237 6.454 1.00 0.00 H new ATOM 0 HA ILE A 319 2.594 2.951 8.841 1.00 0.00 H new ATOM 0 HB ILE A 319 4.827 3.395 8.003 1.00 0.00 H new ATOM 0 HG12 ILE A 319 2.904 5.662 7.404 1.00 0.00 H new ATOM 0 HG13 ILE A 319 3.366 5.160 9.019 1.00 0.00 H new ATOM 0 HG21 ILE A 319 5.152 4.422 5.793 1.00 0.00 H new ATOM 0 HG22 ILE A 319 4.556 2.749 5.674 1.00 0.00 H new ATOM 0 HG23 ILE A 319 3.443 4.112 5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 319 4.761 7.057 8.257 1.00 0.00 H new ATOM 0 HD12 ILE A 319 5.760 5.602 8.485 1.00 0.00 H new ATOM 0 HD13 ILE A 319 5.291 6.112 6.846 1.00 0.00 H new ATOM 439 N THR A 320 0.685 4.080 7.786 1.00 0.00 N ATOM 440 CA THR A 320 -0.576 4.563 7.249 1.00 0.00 C ATOM 441 C THR A 320 -0.341 5.770 6.338 1.00 0.00 C ATOM 442 O THR A 320 0.738 6.359 6.349 1.00 0.00 O ATOM 443 CB THR A 320 -1.508 4.861 8.425 1.00 0.00 C ATOM 444 OG1 THR A 320 -0.943 6.022 9.030 1.00 0.00 O ATOM 445 CG2 THR A 320 -1.429 3.795 9.520 1.00 0.00 C ATOM 0 H THR A 320 0.893 4.394 8.734 1.00 0.00 H new ATOM 0 HA THR A 320 -1.053 3.810 6.621 1.00 0.00 H new ATOM 0 HB THR A 320 -2.534 4.936 8.065 1.00 0.00 H new ATOM 0 HG1 THR A 320 -1.486 6.286 9.802 1.00 0.00 H new ATOM 0 HG21 THR A 320 -2.110 4.055 10.331 1.00 0.00 H new ATOM 0 HG22 THR A 320 -1.710 2.827 9.106 1.00 0.00 H new ATOM 0 HG23 THR A 320 -0.410 3.743 9.904 1.00 0.00 H new ATOM 453 N PHE A 321 -1.370 6.101 5.572 1.00 0.00 N ATOM 454 CA PHE A 321 -1.289 7.228 4.657 1.00 0.00 C ATOM 455 C PHE A 321 -1.060 8.536 5.417 1.00 0.00 C ATOM 456 O PHE A 321 -0.405 9.445 4.910 1.00 0.00 O ATOM 457 CB PHE A 321 -2.630 7.305 3.924 1.00 0.00 C ATOM 458 CG PHE A 321 -3.006 6.025 3.177 1.00 0.00 C ATOM 459 CD1 PHE A 321 -2.321 5.664 2.058 1.00 0.00 C ATOM 460 CD2 PHE A 321 -4.024 5.246 3.631 1.00 0.00 C ATOM 461 CE1 PHE A 321 -2.670 4.476 1.364 1.00 0.00 C ATOM 462 CE2 PHE A 321 -4.373 4.058 2.937 1.00 0.00 C ATOM 463 CZ PHE A 321 -3.689 3.697 1.818 1.00 0.00 C ATOM 0 H PHE A 321 -2.264 5.609 5.566 1.00 0.00 H new ATOM 0 HA PHE A 321 -0.456 7.089 3.968 1.00 0.00 H new ATOM 0 HB2 PHE A 321 -3.414 7.536 4.645 1.00 0.00 H new ATOM 0 HB3 PHE A 321 -2.597 8.131 3.214 1.00 0.00 H new ATOM 0 HD1 PHE A 321 -1.512 6.282 1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 321 -4.567 5.531 4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 321 -2.127 4.190 0.475 1.00 0.00 H new ATOM 0 HE2 PHE A 321 -5.182 3.440 3.298 1.00 0.00 H new ATOM 0 HZ PHE A 321 -3.955 2.793 1.290 1.00 0.00 H new ATOM 473 N GLU A 322 -1.612 8.589 6.620 1.00 0.00 N ATOM 474 CA GLU A 322 -1.476 9.770 7.454 1.00 0.00 C ATOM 475 C GLU A 322 -0.011 9.981 7.842 1.00 0.00 C ATOM 476 O GLU A 322 0.520 11.081 7.701 1.00 0.00 O ATOM 477 CB GLU A 322 -2.363 9.669 8.697 1.00 0.00 C ATOM 478 CG GLU A 322 -3.812 10.035 8.368 1.00 0.00 C ATOM 479 CD GLU A 322 -4.785 9.316 9.305 1.00 0.00 C ATOM 480 OE1 GLU A 322 -4.500 8.142 9.628 1.00 0.00 O ATOM 481 OE2 GLU A 322 -5.791 9.957 9.678 1.00 0.00 O ATOM 0 H GLU A 322 -2.155 7.833 7.037 1.00 0.00 H new ATOM 0 HA GLU A 322 -1.808 10.635 6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 322 -2.322 8.656 9.096 1.00 0.00 H new ATOM 0 HB3 GLU A 322 -1.984 10.333 9.474 1.00 0.00 H new ATOM 0 HG2 GLU A 322 -3.947 11.113 8.455 1.00 0.00 H new ATOM 0 HG3 GLU A 322 -4.033 9.768 7.334 1.00 0.00 H new ATOM 488 N GLU A 323 0.601 8.908 8.322 1.00 0.00 N ATOM 489 CA GLU A 323 1.994 8.961 8.731 1.00 0.00 C ATOM 490 C GLU A 323 2.904 9.058 7.504 1.00 0.00 C ATOM 491 O GLU A 323 3.832 9.864 7.477 1.00 0.00 O ATOM 492 CB GLU A 323 2.360 7.750 9.591 1.00 0.00 C ATOM 493 CG GLU A 323 1.985 7.985 11.056 1.00 0.00 C ATOM 494 CD GLU A 323 3.082 8.763 11.785 1.00 0.00 C ATOM 495 OE1 GLU A 323 4.118 8.133 12.088 1.00 0.00 O ATOM 496 OE2 GLU A 323 2.859 9.970 12.022 1.00 0.00 O ATOM 0 H GLU A 323 0.157 7.997 8.437 1.00 0.00 H new ATOM 0 HA GLU A 323 2.140 9.854 9.339 1.00 0.00 H new ATOM 0 HB2 GLU A 323 1.845 6.865 9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 323 3.429 7.553 9.513 1.00 0.00 H new ATOM 0 HG2 GLU A 323 1.046 8.536 11.111 1.00 0.00 H new ATOM 0 HG3 GLU A 323 1.823 7.028 11.552 1.00 0.00 H new ATOM 503 N LEU A 324 2.605 8.223 6.519 1.00 0.00 N ATOM 504 CA LEU A 324 3.385 8.204 5.293 1.00 0.00 C ATOM 505 C LEU A 324 3.373 9.599 4.664 1.00 0.00 C ATOM 506 O LEU A 324 4.399 10.075 4.181 1.00 0.00 O ATOM 507 CB LEU A 324 2.883 7.103 4.356 1.00 0.00 C ATOM 508 CG LEU A 324 3.809 6.738 3.194 1.00 0.00 C ATOM 509 CD1 LEU A 324 5.193 6.333 3.702 1.00 0.00 C ATOM 510 CD2 LEU A 324 3.182 5.656 2.313 1.00 0.00 C ATOM 0 H LEU A 324 1.834 7.555 6.545 1.00 0.00 H new ATOM 0 HA LEU A 324 4.425 7.959 5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 324 2.702 6.205 4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 324 1.922 7.413 3.945 1.00 0.00 H new ATOM 0 HG LEU A 324 3.942 7.623 2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 324 5.831 6.079 2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 324 5.635 7.163 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 324 5.101 5.469 4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 324 3.860 5.415 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 324 3.000 4.762 2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 324 2.238 6.019 1.907 1.00 0.00 H new ATOM 522 N GLY A 325 2.200 10.215 4.691 1.00 0.00 N ATOM 523 CA GLY A 325 2.041 11.546 4.129 1.00 0.00 C ATOM 524 C GLY A 325 2.668 12.603 5.039 1.00 0.00 C ATOM 525 O GLY A 325 3.181 13.614 4.561 1.00 0.00 O ATOM 0 H GLY A 325 1.351 9.817 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 325 2.506 11.587 3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 325 0.982 11.762 3.991 1.00 0.00 H new ATOM 529 N ALA A 326 2.607 12.334 6.335 1.00 0.00 N ATOM 530 CA ALA A 326 3.163 13.250 7.317 1.00 0.00 C ATOM 531 C ALA A 326 4.688 13.252 7.200 1.00 0.00 C ATOM 532 O ALA A 326 5.338 14.245 7.523 1.00 0.00 O ATOM 533 CB ALA A 326 2.686 12.852 8.715 1.00 0.00 C ATOM 0 H ALA A 326 2.181 11.495 6.728 1.00 0.00 H new ATOM 0 HA ALA A 326 2.817 14.267 7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 326 3.103 13.539 9.451 1.00 0.00 H new ATOM 0 HB2 ALA A 326 1.598 12.895 8.754 1.00 0.00 H new ATOM 0 HB3 ALA A 326 3.017 11.838 8.937 1.00 0.00 H new ATOM 539 N LEU A 327 5.216 12.129 6.736 1.00 0.00 N ATOM 540 CA LEU A 327 6.653 11.988 6.573 1.00 0.00 C ATOM 541 C LEU A 327 7.098 12.760 5.329 1.00 0.00 C ATOM 542 O LEU A 327 8.132 13.426 5.344 1.00 0.00 O ATOM 543 CB LEU A 327 7.048 10.510 6.553 1.00 0.00 C ATOM 544 CG LEU A 327 8.131 10.119 5.546 1.00 0.00 C ATOM 545 CD1 LEU A 327 9.482 10.724 5.931 1.00 0.00 C ATOM 546 CD2 LEU A 327 8.209 8.599 5.388 1.00 0.00 C ATOM 0 H LEU A 327 4.674 11.308 6.468 1.00 0.00 H new ATOM 0 HA LEU A 327 7.177 12.422 7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 327 7.390 10.232 7.550 1.00 0.00 H new ATOM 0 HB3 LEU A 327 6.156 9.919 6.345 1.00 0.00 H new ATOM 0 HG LEU A 327 7.859 10.531 4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 327 10.234 10.430 5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 327 9.401 11.811 5.952 1.00 0.00 H new ATOM 0 HD13 LEU A 327 9.775 10.362 6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 327 8.987 8.348 4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 327 8.446 8.145 6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 327 7.250 8.220 5.034 1.00 0.00 H new ATOM 558 N LEU A 328 6.295 12.644 4.281 1.00 0.00 N ATOM 559 CA LEU A 328 6.593 13.323 3.031 1.00 0.00 C ATOM 560 C LEU A 328 5.938 14.706 3.038 1.00 0.00 C ATOM 561 O LEU A 328 5.996 15.428 2.044 1.00 0.00 O ATOM 562 CB LEU A 328 6.186 12.455 1.840 1.00 0.00 C ATOM 563 CG LEU A 328 6.195 10.943 2.077 1.00 0.00 C ATOM 564 CD1 LEU A 328 4.875 10.310 1.633 1.00 0.00 C ATOM 565 CD2 LEU A 328 7.400 10.289 1.398 1.00 0.00 C ATOM 0 H LEU A 328 5.439 12.090 4.272 1.00 0.00 H new ATOM 0 HA LEU A 328 7.667 13.480 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 328 5.183 12.748 1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 328 6.856 12.676 1.009 1.00 0.00 H new ATOM 0 HG LEU A 328 6.293 10.766 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 328 4.908 9.235 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 328 4.053 10.747 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 328 4.722 10.496 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 328 7.383 9.215 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 328 7.358 10.474 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 328 8.320 10.712 1.803 1.00 0.00 H new ATOM 577 N GLU A 329 5.330 15.031 4.169 1.00 0.00 N ATOM 578 CA GLU A 329 4.664 16.314 4.318 1.00 0.00 C ATOM 579 C GLU A 329 3.466 16.404 3.370 1.00 0.00 C ATOM 580 O GLU A 329 2.871 17.470 3.214 1.00 0.00 O ATOM 581 CB GLU A 329 5.639 17.469 4.079 1.00 0.00 C ATOM 582 CG GLU A 329 6.440 17.780 5.345 1.00 0.00 C ATOM 583 CD GLU A 329 7.775 18.443 5.001 1.00 0.00 C ATOM 584 OE1 GLU A 329 8.477 17.886 4.129 1.00 0.00 O ATOM 585 OE2 GLU A 329 8.065 19.491 5.617 1.00 0.00 O ATOM 0 H GLU A 329 5.284 14.429 4.991 1.00 0.00 H new ATOM 0 HA GLU A 329 4.299 16.395 5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 329 6.320 17.213 3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 329 5.088 18.356 3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 329 5.861 18.437 5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 329 6.620 16.860 5.901 1.00 0.00 H new ATOM 592 N ILE A 330 3.148 15.271 2.761 1.00 0.00 N ATOM 593 CA ILE A 330 2.032 15.209 1.833 1.00 0.00 C ATOM 594 C ILE A 330 0.829 14.571 2.530 1.00 0.00 C ATOM 595 O ILE A 330 0.980 13.911 3.557 1.00 0.00 O ATOM 596 CB ILE A 330 2.446 14.494 0.544 1.00 0.00 C ATOM 597 CG1 ILE A 330 2.401 12.975 0.722 1.00 0.00 C ATOM 598 CG2 ILE A 330 3.817 14.975 0.067 1.00 0.00 C ATOM 599 CD1 ILE A 330 2.684 12.260 -0.601 1.00 0.00 C ATOM 0 H ILE A 330 3.644 14.389 2.892 1.00 0.00 H new ATOM 0 HA ILE A 330 1.731 16.212 1.532 1.00 0.00 H new ATOM 0 HB ILE A 330 1.727 14.749 -0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 330 3.135 12.671 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.422 12.678 1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 330 4.087 14.452 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 330 3.780 16.047 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 330 4.562 14.769 0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 330 2.646 11.182 -0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 330 1.934 12.548 -1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 330 3.674 12.540 -0.962 1.00 0.00 H new ATOM 611 N PRO A 331 -0.370 14.796 1.929 1.00 0.00 N ATOM 612 CA PRO A 331 -1.598 14.250 2.482 1.00 0.00 C ATOM 613 C PRO A 331 -1.704 12.749 2.208 1.00 0.00 C ATOM 614 O PRO A 331 -1.065 12.235 1.291 1.00 0.00 O ATOM 615 CB PRO A 331 -2.713 15.053 1.830 1.00 0.00 C ATOM 616 CG PRO A 331 -2.098 15.696 0.598 1.00 0.00 C ATOM 617 CD PRO A 331 -0.587 15.572 0.712 1.00 0.00 C ATOM 0 HA PRO A 331 -1.645 14.335 3.568 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -3.550 14.410 1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -3.101 15.809 2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -2.454 15.204 -0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -2.391 16.744 0.528 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -0.164 15.070 -0.158 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -0.113 16.551 0.777 1.00 0.00 H new ATOM 625 N ALA A 332 -2.515 12.087 3.020 1.00 0.00 N ATOM 626 CA ALA A 332 -2.712 10.655 2.877 1.00 0.00 C ATOM 627 C ALA A 332 -3.248 10.356 1.476 1.00 0.00 C ATOM 628 O ALA A 332 -2.894 9.343 0.875 1.00 0.00 O ATOM 629 CB ALA A 332 -3.649 10.156 3.979 1.00 0.00 C ATOM 0 H ALA A 332 -3.043 12.516 3.779 1.00 0.00 H new ATOM 0 HA ALA A 332 -1.766 10.124 2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 332 -3.797 9.081 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 332 -3.209 10.366 4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 332 -4.610 10.664 3.898 1.00 0.00 H new ATOM 635 N ALA A 333 -4.094 11.256 0.996 1.00 0.00 N ATOM 636 CA ALA A 333 -4.683 11.101 -0.323 1.00 0.00 C ATOM 637 C ALA A 333 -3.571 11.078 -1.374 1.00 0.00 C ATOM 638 O ALA A 333 -3.600 10.264 -2.296 1.00 0.00 O ATOM 639 CB ALA A 333 -5.692 12.225 -0.567 1.00 0.00 C ATOM 0 H ALA A 333 -4.385 12.095 1.497 1.00 0.00 H new ATOM 0 HA ALA A 333 -5.223 10.157 -0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 333 -6.134 12.109 -1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 333 -6.477 12.180 0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 333 -5.185 13.188 -0.507 1.00 0.00 H new ATOM 645 N LYS A 334 -2.616 11.980 -1.199 1.00 0.00 N ATOM 646 CA LYS A 334 -1.497 12.073 -2.120 1.00 0.00 C ATOM 647 C LYS A 334 -0.593 10.851 -1.944 1.00 0.00 C ATOM 648 O LYS A 334 -0.204 10.216 -2.922 1.00 0.00 O ATOM 649 CB LYS A 334 -0.768 13.407 -1.945 1.00 0.00 C ATOM 650 CG LYS A 334 0.022 13.770 -3.204 1.00 0.00 C ATOM 651 CD LYS A 334 -0.586 14.989 -3.901 1.00 0.00 C ATOM 652 CE LYS A 334 -1.553 14.562 -5.007 1.00 0.00 C ATOM 653 NZ LYS A 334 -2.949 14.592 -4.514 1.00 0.00 N ATOM 0 H LYS A 334 -2.595 12.653 -0.433 1.00 0.00 H new ATOM 0 HA LYS A 334 -1.851 12.062 -3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -1.490 14.194 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -0.092 13.347 -1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 334 1.059 13.977 -2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 334 0.031 12.922 -3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -1.111 15.605 -3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 334 0.208 15.604 -4.325 1.00 0.00 H new ATOM 0 HE2 LYS A 334 -1.450 15.226 -5.865 1.00 0.00 H new ATOM 0 HE3 LYS A 334 -1.303 13.558 -5.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 -3.593 14.300 -5.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -3.047 13.941 -3.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 -3.189 15.557 -4.209 1.00 0.00 H new ATOM 667 N ALA A 335 -0.286 10.559 -0.688 1.00 0.00 N ATOM 668 CA ALA A 335 0.565 9.425 -0.371 1.00 0.00 C ATOM 669 C ALA A 335 -0.126 8.134 -0.817 1.00 0.00 C ATOM 670 O ALA A 335 0.538 7.166 -1.184 1.00 0.00 O ATOM 671 CB ALA A 335 0.883 9.428 1.126 1.00 0.00 C ATOM 0 H ALA A 335 -0.611 11.088 0.121 1.00 0.00 H new ATOM 0 HA ALA A 335 1.512 9.495 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 335 1.521 8.577 1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 335 1.398 10.353 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 335 -0.044 9.356 1.695 1.00 0.00 H new ATOM 677 N GLU A 336 -1.450 8.163 -0.771 1.00 0.00 N ATOM 678 CA GLU A 336 -2.237 7.008 -1.166 1.00 0.00 C ATOM 679 C GLU A 336 -2.173 6.815 -2.682 1.00 0.00 C ATOM 680 O GLU A 336 -1.947 5.704 -3.161 1.00 0.00 O ATOM 681 CB GLU A 336 -3.686 7.144 -0.692 1.00 0.00 C ATOM 682 CG GLU A 336 -4.515 5.928 -1.109 1.00 0.00 C ATOM 683 CD GLU A 336 -5.985 6.307 -1.301 1.00 0.00 C ATOM 684 OE1 GLU A 336 -6.568 6.831 -0.327 1.00 0.00 O ATOM 685 OE2 GLU A 336 -6.493 6.063 -2.417 1.00 0.00 O ATOM 0 H GLU A 336 -1.997 8.968 -0.466 1.00 0.00 H new ATOM 0 HA GLU A 336 -1.814 6.124 -0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 336 -3.709 7.250 0.393 1.00 0.00 H new ATOM 0 HB3 GLU A 336 -4.126 8.049 -1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 336 -4.118 5.513 -2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 336 -4.432 5.150 -0.351 1.00 0.00 H new ATOM 692 N LYS A 337 -2.375 7.913 -3.396 1.00 0.00 N ATOM 693 CA LYS A 337 -2.343 7.878 -4.848 1.00 0.00 C ATOM 694 C LYS A 337 -0.908 7.628 -5.316 1.00 0.00 C ATOM 695 O LYS A 337 -0.673 6.806 -6.200 1.00 0.00 O ATOM 696 CB LYS A 337 -2.966 9.149 -5.428 1.00 0.00 C ATOM 697 CG LYS A 337 -4.458 9.229 -5.096 1.00 0.00 C ATOM 698 CD LYS A 337 -5.282 8.376 -6.062 1.00 0.00 C ATOM 699 CE LYS A 337 -5.528 9.120 -7.376 1.00 0.00 C ATOM 700 NZ LYS A 337 -6.010 8.185 -8.418 1.00 0.00 N ATOM 0 H LYS A 337 -2.561 8.832 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 337 -2.949 7.053 -5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 337 -2.454 10.024 -5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 337 -2.829 9.165 -6.509 1.00 0.00 H new ATOM 0 HG2 LYS A 337 -4.625 8.891 -4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 337 -4.790 10.266 -5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 337 -4.761 7.440 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 337 -6.236 8.118 -5.602 1.00 0.00 H new ATOM 0 HE2 LYS A 337 -6.262 9.911 -7.221 1.00 0.00 H new ATOM 0 HE3 LYS A 337 -4.607 9.600 -7.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 -6.172 8.706 -9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 -5.297 7.445 -8.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 -6.900 7.747 -8.106 1.00 0.00 H new ATOM 714 N ILE A 338 0.016 8.353 -4.702 1.00 0.00 N ATOM 715 CA ILE A 338 1.422 8.221 -5.045 1.00 0.00 C ATOM 716 C ILE A 338 1.865 6.775 -4.810 1.00 0.00 C ATOM 717 O ILE A 338 2.506 6.172 -5.669 1.00 0.00 O ATOM 718 CB ILE A 338 2.258 9.252 -4.284 1.00 0.00 C ATOM 719 CG1 ILE A 338 1.747 10.671 -4.542 1.00 0.00 C ATOM 720 CG2 ILE A 338 3.744 9.108 -4.620 1.00 0.00 C ATOM 721 CD1 ILE A 338 2.591 11.372 -5.608 1.00 0.00 C ATOM 0 H ILE A 338 -0.182 9.034 -3.969 1.00 0.00 H new ATOM 0 HA ILE A 338 1.579 8.436 -6.102 1.00 0.00 H new ATOM 0 HB ILE A 338 2.149 9.060 -3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 338 0.706 10.634 -4.864 1.00 0.00 H new ATOM 0 HG13 ILE A 338 1.774 11.245 -3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 338 4.316 9.852 -4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 338 4.084 8.110 -4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 338 3.892 9.259 -5.689 1.00 0.00 H new ATOM 0 HD11 ILE A 338 2.207 12.379 -5.772 1.00 0.00 H new ATOM 0 HD12 ILE A 338 3.627 11.429 -5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 338 2.542 10.808 -6.540 1.00 0.00 H new ATOM 733 N ALA A 339 1.506 6.262 -3.643 1.00 0.00 N ATOM 734 CA ALA A 339 1.859 4.899 -3.284 1.00 0.00 C ATOM 735 C ALA A 339 1.257 3.935 -4.308 1.00 0.00 C ATOM 736 O ALA A 339 1.932 3.019 -4.776 1.00 0.00 O ATOM 737 CB ALA A 339 1.385 4.606 -1.859 1.00 0.00 C ATOM 0 H ALA A 339 0.974 6.766 -2.933 1.00 0.00 H new ATOM 0 HA ALA A 339 2.941 4.766 -3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 339 1.650 3.583 -1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 339 1.864 5.299 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 339 0.303 4.727 -1.803 1.00 0.00 H new ATOM 743 N SER A 340 -0.007 4.173 -4.626 1.00 0.00 N ATOM 744 CA SER A 340 -0.708 3.337 -5.586 1.00 0.00 C ATOM 745 C SER A 340 -0.082 3.497 -6.974 1.00 0.00 C ATOM 746 O SER A 340 0.116 2.514 -7.686 1.00 0.00 O ATOM 747 CB SER A 340 -2.197 3.682 -5.633 1.00 0.00 C ATOM 748 OG SER A 340 -2.547 4.378 -6.826 1.00 0.00 O ATOM 0 H SER A 340 -0.564 4.933 -4.236 1.00 0.00 H new ATOM 0 HA SER A 340 -0.613 2.299 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 340 -2.784 2.766 -5.562 1.00 0.00 H new ATOM 0 HB3 SER A 340 -2.455 4.293 -4.768 1.00 0.00 H new ATOM 0 HG SER A 340 -3.506 4.579 -6.818 1.00 0.00 H new ATOM 754 N GLN A 341 0.211 4.743 -7.316 1.00 0.00 N ATOM 755 CA GLN A 341 0.809 5.044 -8.605 1.00 0.00 C ATOM 756 C GLN A 341 2.180 4.374 -8.723 1.00 0.00 C ATOM 757 O GLN A 341 2.564 3.923 -9.801 1.00 0.00 O ATOM 758 CB GLN A 341 0.917 6.555 -8.821 1.00 0.00 C ATOM 759 CG GLN A 341 -0.162 7.049 -9.787 1.00 0.00 C ATOM 760 CD GLN A 341 0.465 7.659 -11.043 1.00 0.00 C ATOM 761 OE1 GLN A 341 1.396 7.127 -11.624 1.00 0.00 O ATOM 762 NE2 GLN A 341 -0.097 8.801 -11.427 1.00 0.00 N ATOM 0 H GLN A 341 0.045 5.556 -6.722 1.00 0.00 H new ATOM 0 HA GLN A 341 0.162 4.644 -9.386 1.00 0.00 H new ATOM 0 HB2 GLN A 341 0.819 7.071 -7.866 1.00 0.00 H new ATOM 0 HB3 GLN A 341 1.903 6.800 -9.215 1.00 0.00 H new ATOM 0 HG2 GLN A 341 -0.812 6.220 -10.067 1.00 0.00 H new ATOM 0 HG3 GLN A 341 -0.787 7.791 -9.291 1.00 0.00 H new ATOM 0 HE21 GLN A 341 -0.874 9.191 -10.894 1.00 0.00 H new ATOM 0 HE22 GLN A 341 0.249 9.287 -12.255 1.00 0.00 H new ATOM 771 N MET A 342 2.881 4.331 -7.599 1.00 0.00 N ATOM 772 CA MET A 342 4.200 3.724 -7.563 1.00 0.00 C ATOM 773 C MET A 342 4.124 2.226 -7.865 1.00 0.00 C ATOM 774 O MET A 342 4.929 1.702 -8.634 1.00 0.00 O ATOM 775 CB MET A 342 4.822 3.935 -6.181 1.00 0.00 C ATOM 776 CG MET A 342 5.461 5.321 -6.073 1.00 0.00 C ATOM 777 SD MET A 342 6.820 5.278 -4.917 1.00 0.00 S ATOM 778 CE MET A 342 8.179 5.621 -6.023 1.00 0.00 C ATOM 0 H MET A 342 2.560 4.707 -6.707 1.00 0.00 H new ATOM 0 HA MET A 342 4.818 4.198 -8.326 1.00 0.00 H new ATOM 0 HB2 MET A 342 4.057 3.823 -5.413 1.00 0.00 H new ATOM 0 HB3 MET A 342 5.574 3.168 -5.996 1.00 0.00 H new ATOM 0 HG2 MET A 342 5.815 5.644 -7.052 1.00 0.00 H new ATOM 0 HG3 MET A 342 4.718 6.049 -5.747 1.00 0.00 H new ATOM 0 HE1 MET A 342 9.116 5.596 -5.467 1.00 0.00 H new ATOM 0 HE2 MET A 342 8.205 4.869 -6.812 1.00 0.00 H new ATOM 0 HE3 MET A 342 8.047 6.608 -6.467 1.00 0.00 H new ATOM 788 N ILE A 343 3.148 1.579 -7.245 1.00 0.00 N ATOM 789 CA ILE A 343 2.956 0.152 -7.438 1.00 0.00 C ATOM 790 C ILE A 343 2.506 -0.108 -8.877 1.00 0.00 C ATOM 791 O ILE A 343 3.038 -0.990 -9.548 1.00 0.00 O ATOM 792 CB ILE A 343 1.998 -0.407 -6.383 1.00 0.00 C ATOM 793 CG1 ILE A 343 2.646 -0.402 -4.997 1.00 0.00 C ATOM 794 CG2 ILE A 343 1.500 -1.798 -6.778 1.00 0.00 C ATOM 795 CD1 ILE A 343 1.589 -0.269 -3.899 1.00 0.00 C ATOM 0 H ILE A 343 2.482 2.017 -6.609 1.00 0.00 H new ATOM 0 HA ILE A 343 3.896 -0.382 -7.297 1.00 0.00 H new ATOM 0 HB ILE A 343 1.126 0.245 -6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 343 3.212 -1.322 -4.853 1.00 0.00 H new ATOM 0 HG13 ILE A 343 3.355 0.423 -4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 343 0.821 -2.173 -6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 343 0.975 -1.739 -7.731 1.00 0.00 H new ATOM 0 HG23 ILE A 343 2.349 -2.475 -6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 343 2.076 -0.268 -2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 343 1.041 0.664 -4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 343 0.896 -1.108 -3.958 1.00 0.00 H new ATOM 807 N THR A 344 1.529 0.677 -9.308 1.00 0.00 N ATOM 808 CA THR A 344 1.001 0.543 -10.655 1.00 0.00 C ATOM 809 C THR A 344 2.117 0.729 -11.686 1.00 0.00 C ATOM 810 O THR A 344 2.141 0.046 -12.709 1.00 0.00 O ATOM 811 CB THR A 344 -0.146 1.542 -10.815 1.00 0.00 C ATOM 812 OG1 THR A 344 -1.210 0.973 -10.056 1.00 0.00 O ATOM 813 CG2 THR A 344 -0.690 1.586 -12.244 1.00 0.00 C ATOM 0 H THR A 344 1.090 1.408 -8.748 1.00 0.00 H new ATOM 0 HA THR A 344 0.605 -0.458 -10.827 1.00 0.00 H new ATOM 0 HB THR A 344 0.196 2.536 -10.526 1.00 0.00 H new ATOM 0 HG1 THR A 344 -1.135 1.259 -9.122 1.00 0.00 H new ATOM 0 HG21 THR A 344 -1.502 2.311 -12.302 1.00 0.00 H new ATOM 0 HG22 THR A 344 0.107 1.878 -12.928 1.00 0.00 H new ATOM 0 HG23 THR A 344 -1.063 0.600 -12.522 1.00 0.00 H new ATOM 821 N GLU A 345 3.013 1.656 -11.381 1.00 0.00 N ATOM 822 CA GLU A 345 4.128 1.940 -12.268 1.00 0.00 C ATOM 823 C GLU A 345 5.229 0.893 -12.089 1.00 0.00 C ATOM 824 O GLU A 345 6.200 0.873 -12.843 1.00 0.00 O ATOM 825 CB GLU A 345 4.670 3.351 -12.032 1.00 0.00 C ATOM 826 CG GLU A 345 3.684 4.408 -12.533 1.00 0.00 C ATOM 827 CD GLU A 345 4.399 5.476 -13.363 1.00 0.00 C ATOM 828 OE1 GLU A 345 5.051 6.339 -12.737 1.00 0.00 O ATOM 829 OE2 GLU A 345 4.278 5.405 -14.605 1.00 0.00 O ATOM 0 H GLU A 345 2.989 2.220 -10.532 1.00 0.00 H new ATOM 0 HA GLU A 345 3.771 1.890 -13.297 1.00 0.00 H new ATOM 0 HB2 GLU A 345 4.858 3.499 -10.969 1.00 0.00 H new ATOM 0 HB3 GLU A 345 5.625 3.468 -12.544 1.00 0.00 H new ATOM 0 HG2 GLU A 345 2.910 3.932 -13.135 1.00 0.00 H new ATOM 0 HG3 GLU A 345 3.185 4.876 -11.684 1.00 0.00 H new ATOM 836 N GLY A 346 5.040 0.047 -11.086 1.00 0.00 N ATOM 837 CA GLY A 346 6.004 -1.000 -10.799 1.00 0.00 C ATOM 838 C GLY A 346 7.150 -0.469 -9.934 1.00 0.00 C ATOM 839 O GLY A 346 7.948 -1.244 -9.410 1.00 0.00 O ATOM 0 H GLY A 346 4.233 0.066 -10.463 1.00 0.00 H new ATOM 0 HA2 GLY A 346 5.509 -1.825 -10.286 1.00 0.00 H new ATOM 0 HA3 GLY A 346 6.402 -1.398 -11.732 1.00 0.00 H new ATOM 843 N ARG A 347 7.193 0.850 -9.812 1.00 0.00 N ATOM 844 CA ARG A 347 8.227 1.494 -9.020 1.00 0.00 C ATOM 845 C ARG A 347 8.320 0.843 -7.638 1.00 0.00 C ATOM 846 O ARG A 347 9.416 0.616 -7.128 1.00 0.00 O ATOM 847 CB ARG A 347 7.943 2.988 -8.854 1.00 0.00 C ATOM 848 CG ARG A 347 7.926 3.697 -10.210 1.00 0.00 C ATOM 849 CD ARG A 347 9.079 4.697 -10.321 1.00 0.00 C ATOM 850 NE ARG A 347 8.982 5.441 -11.597 1.00 0.00 N ATOM 851 CZ ARG A 347 9.653 6.571 -11.860 1.00 0.00 C ATOM 852 NH1 ARG A 347 10.474 7.093 -10.938 1.00 0.00 N ATOM 853 NH2 ARG A 347 9.503 7.178 -13.045 1.00 0.00 N ATOM 0 H ARG A 347 6.529 1.490 -10.248 1.00 0.00 H new ATOM 0 HA ARG A 347 9.173 1.372 -9.547 1.00 0.00 H new ATOM 0 HB2 ARG A 347 6.984 3.126 -8.355 1.00 0.00 H new ATOM 0 HB3 ARG A 347 8.703 3.437 -8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 347 8.000 2.961 -11.010 1.00 0.00 H new ATOM 0 HG3 ARG A 347 6.976 4.216 -10.341 1.00 0.00 H new ATOM 0 HD2 ARG A 347 9.050 5.392 -9.482 1.00 0.00 H new ATOM 0 HD3 ARG A 347 10.033 4.172 -10.268 1.00 0.00 H new ATOM 0 HE ARG A 347 8.366 5.071 -12.321 1.00 0.00 H new ATOM 0 HH11 ARG A 347 10.588 6.630 -10.036 1.00 0.00 H new ATOM 0 HH12 ARG A 347 10.985 7.953 -11.138 1.00 0.00 H new ATOM 0 HH21 ARG A 347 8.878 6.780 -13.746 1.00 0.00 H new ATOM 0 HH22 ARG A 347 10.013 8.038 -13.246 1.00 0.00 H new ATOM 867 N MET A 348 7.156 0.562 -7.072 1.00 0.00 N ATOM 868 CA MET A 348 7.092 -0.058 -5.760 1.00 0.00 C ATOM 869 C MET A 348 6.465 -1.451 -5.841 1.00 0.00 C ATOM 870 O MET A 348 5.522 -1.668 -6.600 1.00 0.00 O ATOM 871 CB MET A 348 6.264 0.820 -4.820 1.00 0.00 C ATOM 872 CG MET A 348 6.191 0.208 -3.419 1.00 0.00 C ATOM 873 SD MET A 348 4.606 0.564 -2.679 1.00 0.00 S ATOM 874 CE MET A 348 4.536 2.330 -2.931 1.00 0.00 C ATOM 0 H MET A 348 6.249 0.752 -7.498 1.00 0.00 H new ATOM 0 HA MET A 348 8.108 -0.159 -5.377 1.00 0.00 H new ATOM 0 HB2 MET A 348 6.705 1.815 -4.763 1.00 0.00 H new ATOM 0 HB3 MET A 348 5.258 0.940 -5.221 1.00 0.00 H new ATOM 0 HG2 MET A 348 6.341 -0.870 -3.476 1.00 0.00 H new ATOM 0 HG3 MET A 348 6.991 0.609 -2.796 1.00 0.00 H new ATOM 0 HE1 MET A 348 3.854 2.774 -2.206 1.00 0.00 H new ATOM 0 HE2 MET A 348 5.531 2.756 -2.802 1.00 0.00 H new ATOM 0 HE3 MET A 348 4.180 2.540 -3.940 1.00 0.00 H new ATOM 884 N ASN A 349 7.015 -2.360 -5.049 1.00 0.00 N ATOM 885 CA ASN A 349 6.521 -3.726 -5.022 1.00 0.00 C ATOM 886 C ASN A 349 5.659 -3.928 -3.774 1.00 0.00 C ATOM 887 O ASN A 349 6.073 -3.586 -2.667 1.00 0.00 O ATOM 888 CB ASN A 349 7.676 -4.728 -4.965 1.00 0.00 C ATOM 889 CG ASN A 349 7.505 -5.822 -6.022 1.00 0.00 C ATOM 890 OD1 ASN A 349 6.718 -6.742 -5.877 1.00 0.00 O ATOM 891 ND2 ASN A 349 8.285 -5.670 -7.088 1.00 0.00 N ATOM 0 H ASN A 349 7.798 -2.177 -4.421 1.00 0.00 H new ATOM 0 HA ASN A 349 5.942 -3.893 -5.930 1.00 0.00 H new ATOM 0 HB2 ASN A 349 8.621 -4.209 -5.124 1.00 0.00 H new ATOM 0 HB3 ASN A 349 7.723 -5.179 -3.974 1.00 0.00 H new ATOM 0 HD21 ASN A 349 8.246 -6.348 -7.849 1.00 0.00 H new ATOM 0 HD22 ASN A 349 8.922 -4.875 -7.145 1.00 0.00 H new ATOM 898 N GLY A 350 4.476 -4.482 -3.994 1.00 0.00 N ATOM 899 CA GLY A 350 3.552 -4.733 -2.901 1.00 0.00 C ATOM 900 C GLY A 350 2.134 -4.291 -3.269 1.00 0.00 C ATOM 901 O GLY A 350 1.813 -4.141 -4.447 1.00 0.00 O ATOM 0 H GLY A 350 4.136 -4.764 -4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 350 3.553 -5.795 -2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 350 3.883 -4.199 -2.010 1.00 0.00 H new ATOM 905 N PHE A 351 1.324 -4.094 -2.239 1.00 0.00 N ATOM 906 CA PHE A 351 -0.052 -3.671 -2.439 1.00 0.00 C ATOM 907 C PHE A 351 -0.514 -2.753 -1.306 1.00 0.00 C ATOM 908 O PHE A 351 0.111 -2.705 -0.248 1.00 0.00 O ATOM 909 CB PHE A 351 -0.913 -4.936 -2.438 1.00 0.00 C ATOM 910 CG PHE A 351 -1.231 -5.471 -1.040 1.00 0.00 C ATOM 911 CD1 PHE A 351 -0.315 -6.227 -0.377 1.00 0.00 C ATOM 912 CD2 PHE A 351 -2.429 -5.191 -0.461 1.00 0.00 C ATOM 913 CE1 PHE A 351 -0.610 -6.723 0.920 1.00 0.00 C ATOM 914 CE2 PHE A 351 -2.724 -5.687 0.836 1.00 0.00 C ATOM 915 CZ PHE A 351 -1.809 -6.443 1.499 1.00 0.00 C ATOM 0 H PHE A 351 1.594 -4.219 -1.263 1.00 0.00 H new ATOM 0 HA PHE A 351 -0.139 -3.120 -3.375 1.00 0.00 H new ATOM 0 HB2 PHE A 351 -1.848 -4.727 -2.957 1.00 0.00 H new ATOM 0 HB3 PHE A 351 -0.400 -5.713 -3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 351 0.636 -6.450 -0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 351 -3.156 -4.591 -0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 351 0.117 -7.323 1.447 1.00 0.00 H new ATOM 0 HE2 PHE A 351 -3.675 -5.464 1.296 1.00 0.00 H new ATOM 0 HZ PHE A 351 -2.034 -6.821 2.485 1.00 0.00 H new ATOM 925 N ILE A 352 -1.604 -2.047 -1.567 1.00 0.00 N ATOM 926 CA ILE A 352 -2.157 -1.133 -0.582 1.00 0.00 C ATOM 927 C ILE A 352 -3.412 -1.753 0.035 1.00 0.00 C ATOM 928 O ILE A 352 -4.294 -2.223 -0.682 1.00 0.00 O ATOM 929 CB ILE A 352 -2.394 0.245 -1.203 1.00 0.00 C ATOM 930 CG1 ILE A 352 -1.068 0.928 -1.544 1.00 0.00 C ATOM 931 CG2 ILE A 352 -3.269 1.112 -0.296 1.00 0.00 C ATOM 932 CD1 ILE A 352 -1.282 2.405 -1.878 1.00 0.00 C ATOM 0 H ILE A 352 -2.119 -2.089 -2.446 1.00 0.00 H new ATOM 0 HA ILE A 352 -1.447 -0.974 0.230 1.00 0.00 H new ATOM 0 HB ILE A 352 -2.936 0.109 -2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 352 -0.381 0.838 -0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 352 -0.602 0.424 -2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 352 -3.422 2.086 -0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 352 -4.233 0.625 -0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 352 -2.776 1.243 0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 352 -0.324 2.867 -2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 352 -1.950 2.491 -2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 352 -1.725 2.911 -1.021 1.00 0.00 H new ATOM 944 N ASP A 353 -3.453 -1.735 1.359 1.00 0.00 N ATOM 945 CA ASP A 353 -4.586 -2.289 2.081 1.00 0.00 C ATOM 946 C ASP A 353 -5.602 -1.179 2.357 1.00 0.00 C ATOM 947 O ASP A 353 -5.346 -0.284 3.161 1.00 0.00 O ATOM 948 CB ASP A 353 -4.149 -2.876 3.425 1.00 0.00 C ATOM 949 CG ASP A 353 -5.283 -3.441 4.283 1.00 0.00 C ATOM 950 OD1 ASP A 353 -6.432 -3.414 3.793 1.00 0.00 O ATOM 951 OD2 ASP A 353 -4.974 -3.886 5.410 1.00 0.00 O ATOM 0 H ASP A 353 -2.720 -1.345 1.951 1.00 0.00 H new ATOM 0 HA ASP A 353 -5.023 -3.077 1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 353 -3.424 -3.669 3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 353 -3.635 -2.101 3.993 1.00 0.00 H new ATOM 956 N GLN A 354 -6.734 -1.275 1.676 1.00 0.00 N ATOM 957 CA GLN A 354 -7.790 -0.290 1.838 1.00 0.00 C ATOM 958 C GLN A 354 -8.731 -0.702 2.972 1.00 0.00 C ATOM 959 O GLN A 354 -9.492 0.119 3.481 1.00 0.00 O ATOM 960 CB GLN A 354 -8.560 -0.092 0.531 1.00 0.00 C ATOM 961 CG GLN A 354 -7.763 0.770 -0.450 1.00 0.00 C ATOM 962 CD GLN A 354 -7.331 -0.045 -1.670 1.00 0.00 C ATOM 963 OE1 GLN A 354 -6.592 -1.012 -1.573 1.00 0.00 O ATOM 964 NE2 GLN A 354 -7.830 0.397 -2.821 1.00 0.00 N ATOM 0 H GLN A 354 -6.943 -2.019 1.011 1.00 0.00 H new ATOM 0 HA GLN A 354 -7.333 0.664 2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -8.772 -1.061 0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -9.520 0.380 0.738 1.00 0.00 H new ATOM 0 HG2 GLN A 354 -8.369 1.617 -0.770 1.00 0.00 H new ATOM 0 HG3 GLN A 354 -6.884 1.177 0.049 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -8.443 1.212 -2.832 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -7.600 -0.079 -3.693 1.00 0.00 H new ATOM 973 N ILE A 355 -8.648 -1.974 3.333 1.00 0.00 N ATOM 974 CA ILE A 355 -9.483 -2.505 4.398 1.00 0.00 C ATOM 975 C ILE A 355 -9.018 -1.934 5.738 1.00 0.00 C ATOM 976 O ILE A 355 -9.837 -1.612 6.598 1.00 0.00 O ATOM 977 CB ILE A 355 -9.499 -4.035 4.353 1.00 0.00 C ATOM 978 CG1 ILE A 355 -10.142 -4.539 3.060 1.00 0.00 C ATOM 979 CG2 ILE A 355 -10.180 -4.612 5.596 1.00 0.00 C ATOM 980 CD1 ILE A 355 -11.632 -4.195 3.018 1.00 0.00 C ATOM 0 H ILE A 355 -8.016 -2.652 2.908 1.00 0.00 H new ATOM 0 HA ILE A 355 -10.519 -2.194 4.262 1.00 0.00 H new ATOM 0 HB ILE A 355 -8.468 -4.388 4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 355 -9.638 -4.094 2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 355 -10.012 -5.618 2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 355 -10.178 -5.701 5.540 1.00 0.00 H new ATOM 0 HG22 ILE A 355 -9.640 -4.294 6.488 1.00 0.00 H new ATOM 0 HG23 ILE A 355 -11.208 -4.253 5.647 1.00 0.00 H new ATOM 0 HD11 ILE A 355 -12.065 -4.565 2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 355 -12.137 -4.661 3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 355 -11.757 -3.114 3.072 1.00 0.00 H new ATOM 992 N ASP A 356 -7.705 -1.825 5.875 1.00 0.00 N ATOM 993 CA ASP A 356 -7.121 -1.297 7.097 1.00 0.00 C ATOM 994 C ASP A 356 -6.577 0.108 6.832 1.00 0.00 C ATOM 995 O ASP A 356 -6.224 0.827 7.765 1.00 0.00 O ATOM 996 CB ASP A 356 -5.959 -2.171 7.574 1.00 0.00 C ATOM 997 CG ASP A 356 -6.336 -3.613 7.922 1.00 0.00 C ATOM 998 OD1 ASP A 356 -6.993 -4.249 7.071 1.00 0.00 O ATOM 999 OD2 ASP A 356 -5.958 -4.046 9.032 1.00 0.00 O ATOM 0 H ASP A 356 -7.029 -2.093 5.160 1.00 0.00 H new ATOM 0 HA ASP A 356 -7.898 -1.280 7.862 1.00 0.00 H new ATOM 0 HB2 ASP A 356 -5.194 -2.188 6.797 1.00 0.00 H new ATOM 0 HB3 ASP A 356 -5.511 -1.706 8.452 1.00 0.00 H new ATOM 1004 N GLY A 357 -6.526 0.457 5.555 1.00 0.00 N ATOM 1005 CA GLY A 357 -6.031 1.763 5.155 1.00 0.00 C ATOM 1006 C GLY A 357 -4.530 1.888 5.427 1.00 0.00 C ATOM 1007 O GLY A 357 -4.032 2.982 5.685 1.00 0.00 O ATOM 0 H GLY A 357 -6.819 -0.142 4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 357 -6.226 1.921 4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 357 -6.568 2.541 5.697 1.00 0.00 H new ATOM 1011 N ILE A 358 -3.853 0.751 5.360 1.00 0.00 N ATOM 1012 CA ILE A 358 -2.419 0.720 5.597 1.00 0.00 C ATOM 1013 C ILE A 358 -1.702 0.334 4.301 1.00 0.00 C ATOM 1014 O ILE A 358 -2.249 -0.400 3.479 1.00 0.00 O ATOM 1015 CB ILE A 358 -2.091 -0.196 6.778 1.00 0.00 C ATOM 1016 CG1 ILE A 358 -3.111 -0.023 7.905 1.00 0.00 C ATOM 1017 CG2 ILE A 358 -0.658 0.028 7.263 1.00 0.00 C ATOM 1018 CD1 ILE A 358 -2.957 1.341 8.581 1.00 0.00 C ATOM 0 H ILE A 358 -4.270 -0.155 5.145 1.00 0.00 H new ATOM 0 HA ILE A 358 -2.057 1.708 5.881 1.00 0.00 H new ATOM 0 HB ILE A 358 -2.158 -1.230 6.438 1.00 0.00 H new ATOM 0 HG12 ILE A 358 -4.120 -0.123 7.505 1.00 0.00 H new ATOM 0 HG13 ILE A 358 -2.981 -0.815 8.643 1.00 0.00 H new ATOM 0 HG21 ILE A 358 -0.450 -0.635 8.103 1.00 0.00 H new ATOM 0 HG22 ILE A 358 0.038 -0.185 6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 358 -0.539 1.064 7.581 1.00 0.00 H new ATOM 0 HD11 ILE A 358 -3.694 1.437 9.378 1.00 0.00 H new ATOM 0 HD12 ILE A 358 -1.955 1.428 9.001 1.00 0.00 H new ATOM 0 HD13 ILE A 358 -3.112 2.131 7.846 1.00 0.00 H new ATOM 1030 N VAL A 359 -0.488 0.844 4.160 1.00 0.00 N ATOM 1031 CA VAL A 359 0.310 0.562 2.979 1.00 0.00 C ATOM 1032 C VAL A 359 1.236 -0.621 3.266 1.00 0.00 C ATOM 1033 O VAL A 359 2.063 -0.562 4.175 1.00 0.00 O ATOM 1034 CB VAL A 359 1.065 1.820 2.545 1.00 0.00 C ATOM 1035 CG1 VAL A 359 2.083 1.498 1.449 1.00 0.00 C ATOM 1036 CG2 VAL A 359 0.094 2.911 2.088 1.00 0.00 C ATOM 0 H VAL A 359 -0.037 1.451 4.844 1.00 0.00 H new ATOM 0 HA VAL A 359 -0.331 0.279 2.144 1.00 0.00 H new ATOM 0 HB VAL A 359 1.612 2.198 3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 359 2.606 2.409 1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 359 2.803 0.770 1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 359 1.566 1.084 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 359 0.656 3.794 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 359 -0.492 2.546 1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 359 -0.574 3.170 2.909 1.00 0.00 H new ATOM 1046 N HIS A 360 1.067 -1.669 2.473 1.00 0.00 N ATOM 1047 CA HIS A 360 1.877 -2.865 2.630 1.00 0.00 C ATOM 1048 C HIS A 360 3.172 -2.717 1.828 1.00 0.00 C ATOM 1049 O HIS A 360 3.147 -2.708 0.598 1.00 0.00 O ATOM 1050 CB HIS A 360 1.082 -4.115 2.246 1.00 0.00 C ATOM 1051 CG HIS A 360 0.602 -4.923 3.428 1.00 0.00 C ATOM 1052 ND1 HIS A 360 1.256 -6.058 3.875 1.00 0.00 N ATOM 1053 CD2 HIS A 360 -0.473 -4.750 4.249 1.00 0.00 C ATOM 1054 CE1 HIS A 360 0.595 -6.538 4.918 1.00 0.00 C ATOM 1055 NE2 HIS A 360 -0.477 -5.726 5.148 1.00 0.00 N ATOM 0 H HIS A 360 0.381 -1.715 1.720 1.00 0.00 H new ATOM 0 HA HIS A 360 2.151 -2.987 3.678 1.00 0.00 H new ATOM 0 HB2 HIS A 360 0.220 -3.816 1.649 1.00 0.00 H new ATOM 0 HB3 HIS A 360 1.704 -4.749 1.614 1.00 0.00 H new ATOM 0 HD2 HIS A 360 -1.199 -3.953 4.179 1.00 0.00 H new ATOM 0 HE1 HIS A 360 0.858 -7.418 5.486 1.00 0.00 H new ATOM 0 HE2 HIS A 360 -1.167 -5.849 5.889 1.00 0.00 H new ATOM 1063 N PHE A 361 4.272 -2.604 2.557 1.00 0.00 N ATOM 1064 CA PHE A 361 5.574 -2.456 1.929 1.00 0.00 C ATOM 1065 C PHE A 361 6.356 -3.771 1.971 1.00 0.00 C ATOM 1066 O PHE A 361 6.172 -4.577 2.882 1.00 0.00 O ATOM 1067 CB PHE A 361 6.338 -1.397 2.726 1.00 0.00 C ATOM 1068 CG PHE A 361 5.932 0.042 2.397 1.00 0.00 C ATOM 1069 CD1 PHE A 361 5.746 0.417 1.103 1.00 0.00 C ATOM 1070 CD2 PHE A 361 5.758 0.945 3.399 1.00 0.00 C ATOM 1071 CE1 PHE A 361 5.369 1.752 0.798 1.00 0.00 C ATOM 1072 CE2 PHE A 361 5.381 2.279 3.094 1.00 0.00 C ATOM 1073 CZ PHE A 361 5.194 2.655 1.800 1.00 0.00 C ATOM 0 H PHE A 361 4.289 -2.612 3.577 1.00 0.00 H new ATOM 0 HA PHE A 361 5.452 -2.170 0.884 1.00 0.00 H new ATOM 0 HB2 PHE A 361 6.181 -1.574 3.790 1.00 0.00 H new ATOM 0 HB3 PHE A 361 7.405 -1.515 2.538 1.00 0.00 H new ATOM 0 HD1 PHE A 361 5.885 -0.300 0.308 1.00 0.00 H new ATOM 0 HD2 PHE A 361 5.907 0.647 4.426 1.00 0.00 H new ATOM 0 HE1 PHE A 361 5.221 2.050 -0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 361 5.243 2.996 3.890 1.00 0.00 H new ATOM 0 HZ PHE A 361 4.907 3.670 1.568 1.00 0.00 H new ATOM 1083 N GLU A 362 7.211 -3.946 0.975 1.00 0.00 N ATOM 1084 CA GLU A 362 8.021 -5.149 0.887 1.00 0.00 C ATOM 1085 C GLU A 362 9.259 -5.022 1.777 1.00 0.00 C ATOM 1086 O GLU A 362 9.839 -3.943 1.889 1.00 0.00 O ATOM 1087 CB GLU A 362 8.416 -5.439 -0.563 1.00 0.00 C ATOM 1088 CG GLU A 362 9.441 -4.420 -1.066 1.00 0.00 C ATOM 1089 CD GLU A 362 10.113 -4.908 -2.351 1.00 0.00 C ATOM 1090 OE1 GLU A 362 10.233 -6.144 -2.495 1.00 0.00 O ATOM 1091 OE2 GLU A 362 10.493 -4.034 -3.160 1.00 0.00 O ATOM 0 H GLU A 362 7.361 -3.275 0.222 1.00 0.00 H new ATOM 0 HA GLU A 362 7.427 -5.990 1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 362 8.831 -6.444 -0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 362 7.530 -5.413 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 362 8.950 -3.464 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 362 10.196 -4.249 -0.299 1.00 0.00 H new