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 Set 1.1: A 337 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 341 GLN : amide:sc= -0.0111 X(o=-0.011,f=-0.04) USER MOD Single : A 307 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 308 ASN : amide:sc= -6.32! C(o=-6.3!,f=-3.8!) USER MOD Single : A 311 SER OG : rot 180:sc= 0 USER MOD Single : A 313 SER OG : rot -71:sc= 1.12 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 X(o=0,f=0) USER MOD Single : A 318 ASN : amide:sc= 0.17 K(o=0.17,f=-0.55) USER MOD Single : A 320 THR OG1 : rot 180:sc= 0.0075 USER MOD Single : A 334 LYS NZ :NH3+ 163:sc= -0.309 (180deg=-0.597) USER MOD Single : A 340 SER OG : rot 180:sc= 0 USER MOD Single : A 342 MET CE :methyl 160:sc= -5.29! (180deg=-6!) USER MOD Single : A 344 THR OG1 : rot 180:sc= 0 USER MOD Single : A 348 MET CE :methyl 145:sc= -7.24! (180deg=-9.68!) USER MOD Single : A 349 ASN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 354 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.3) USER MOD Single : A 360 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N ARG A 302 7.940 14.680 -6.561 1.00 0.00 N ATOM 146 CA ARG A 302 7.316 13.372 -6.659 1.00 0.00 C ATOM 147 C ARG A 302 8.370 12.270 -6.537 1.00 0.00 C ATOM 148 O ARG A 302 8.107 11.215 -5.962 1.00 0.00 O ATOM 149 CB ARG A 302 6.574 13.214 -7.988 1.00 0.00 C ATOM 150 CG ARG A 302 5.361 12.294 -7.833 1.00 0.00 C ATOM 151 CD ARG A 302 4.113 13.093 -7.452 1.00 0.00 C ATOM 152 NE ARG A 302 3.110 13.014 -8.537 1.00 0.00 N ATOM 153 CZ ARG A 302 2.047 13.823 -8.637 1.00 0.00 C ATOM 154 NH1 ARG A 302 1.841 14.776 -7.718 1.00 0.00 N ATOM 155 NH2 ARG A 302 1.189 13.679 -9.656 1.00 0.00 N ATOM 0 HA ARG A 302 6.599 13.285 -5.843 1.00 0.00 H new ATOM 0 HB2 ARG A 302 6.250 14.191 -8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 302 7.250 12.807 -8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 302 5.184 11.759 -8.766 1.00 0.00 H new ATOM 0 HG3 ARG A 302 5.564 11.544 -7.069 1.00 0.00 H new ATOM 0 HD2 ARG A 302 3.690 12.703 -6.526 1.00 0.00 H new ATOM 0 HD3 ARG A 302 4.380 14.134 -7.267 1.00 0.00 H new ATOM 0 HE ARG A 302 3.236 12.299 -9.253 1.00 0.00 H new ATOM 0 HH11 ARG A 302 2.494 14.886 -6.942 1.00 0.00 H new ATOM 0 HH12 ARG A 302 1.031 15.392 -7.795 1.00 0.00 H new ATOM 0 HH21 ARG A 302 1.345 12.953 -10.356 1.00 0.00 H new ATOM 0 HH22 ARG A 302 0.380 14.295 -9.732 1.00 0.00 H new ATOM 169 N ALA A 303 9.542 12.552 -7.088 1.00 0.00 N ATOM 170 CA ALA A 303 10.637 11.598 -7.048 1.00 0.00 C ATOM 171 C ALA A 303 11.073 11.389 -5.597 1.00 0.00 C ATOM 172 O ALA A 303 11.457 10.286 -5.213 1.00 0.00 O ATOM 173 CB ALA A 303 11.780 12.096 -7.935 1.00 0.00 C ATOM 0 H ALA A 303 9.757 13.428 -7.565 1.00 0.00 H new ATOM 0 HA ALA A 303 10.319 10.631 -7.438 1.00 0.00 H new ATOM 0 HB1 ALA A 303 12.602 11.381 -7.905 1.00 0.00 H new ATOM 0 HB2 ALA A 303 11.426 12.200 -8.961 1.00 0.00 H new ATOM 0 HB3 ALA A 303 12.128 13.063 -7.572 1.00 0.00 H new ATOM 179 N VAL A 304 10.999 12.467 -4.829 1.00 0.00 N ATOM 180 CA VAL A 304 11.381 12.416 -3.428 1.00 0.00 C ATOM 181 C VAL A 304 10.414 11.502 -2.673 1.00 0.00 C ATOM 182 O VAL A 304 10.839 10.654 -1.890 1.00 0.00 O ATOM 183 CB VAL A 304 11.441 13.831 -2.850 1.00 0.00 C ATOM 184 CG1 VAL A 304 11.520 13.797 -1.323 1.00 0.00 C ATOM 185 CG2 VAL A 304 12.613 14.616 -3.442 1.00 0.00 C ATOM 0 H VAL A 304 10.680 13.381 -5.151 1.00 0.00 H new ATOM 0 HA VAL A 304 12.380 11.993 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 304 10.520 14.345 -3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 304 11.562 14.816 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 304 10.639 13.294 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 304 12.416 13.257 -1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 304 12.633 15.618 -3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 304 13.547 14.104 -3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 304 12.495 14.685 -4.523 1.00 0.00 H new ATOM 195 N ILE A 305 9.131 11.707 -2.934 1.00 0.00 N ATOM 196 CA ILE A 305 8.100 10.912 -2.289 1.00 0.00 C ATOM 197 C ILE A 305 8.217 9.459 -2.753 1.00 0.00 C ATOM 198 O ILE A 305 8.112 8.536 -1.946 1.00 0.00 O ATOM 199 CB ILE A 305 6.720 11.525 -2.533 1.00 0.00 C ATOM 200 CG1 ILE A 305 6.645 12.947 -1.971 1.00 0.00 C ATOM 201 CG2 ILE A 305 5.614 10.629 -1.972 1.00 0.00 C ATOM 202 CD1 ILE A 305 6.014 13.904 -2.985 1.00 0.00 C ATOM 0 H ILE A 305 8.782 12.412 -3.583 1.00 0.00 H new ATOM 0 HA ILE A 305 8.238 10.914 -1.208 1.00 0.00 H new ATOM 0 HB ILE A 305 6.563 11.594 -3.609 1.00 0.00 H new ATOM 0 HG12 ILE A 305 6.060 12.948 -1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 305 7.646 13.293 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 305 4.643 11.089 -2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 305 5.654 9.654 -2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 305 5.756 10.505 -0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 305 5.972 14.907 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 305 6.615 13.919 -3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 305 5.005 13.568 -3.223 1.00 0.00 H new ATOM 214 N GLU A 306 8.434 9.300 -4.050 1.00 0.00 N ATOM 215 CA GLU A 306 8.567 7.975 -4.631 1.00 0.00 C ATOM 216 C GLU A 306 9.709 7.212 -3.956 1.00 0.00 C ATOM 217 O GLU A 306 9.574 6.029 -3.649 1.00 0.00 O ATOM 218 CB GLU A 306 8.781 8.058 -6.143 1.00 0.00 C ATOM 219 CG GLU A 306 7.469 8.365 -6.867 1.00 0.00 C ATOM 220 CD GLU A 306 7.399 7.633 -8.209 1.00 0.00 C ATOM 221 OE1 GLU A 306 8.469 7.505 -8.842 1.00 0.00 O ATOM 222 OE2 GLU A 306 6.277 7.219 -8.572 1.00 0.00 O ATOM 0 H GLU A 306 8.521 10.068 -4.716 1.00 0.00 H new ATOM 0 HA GLU A 306 7.639 7.429 -4.459 1.00 0.00 H new ATOM 0 HB2 GLU A 306 9.514 8.832 -6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 306 9.190 7.116 -6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 306 6.627 8.068 -6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 306 7.382 9.439 -7.030 1.00 0.00 H new ATOM 229 N HIS A 307 10.808 7.921 -3.745 1.00 0.00 N ATOM 230 CA HIS A 307 11.973 7.326 -3.112 1.00 0.00 C ATOM 231 C HIS A 307 11.682 7.080 -1.630 1.00 0.00 C ATOM 232 O HIS A 307 12.032 6.031 -1.091 1.00 0.00 O ATOM 233 CB HIS A 307 13.215 8.190 -3.337 1.00 0.00 C ATOM 234 CG HIS A 307 14.518 7.465 -3.104 1.00 0.00 C ATOM 235 ND1 HIS A 307 14.922 6.383 -3.867 1.00 0.00 N ATOM 236 CD2 HIS A 307 15.504 7.677 -2.185 1.00 0.00 C ATOM 237 CE1 HIS A 307 16.099 5.971 -3.419 1.00 0.00 C ATOM 238 NE2 HIS A 307 16.458 6.774 -2.377 1.00 0.00 N ATOM 0 H HIS A 307 10.917 8.902 -4.001 1.00 0.00 H new ATOM 0 HA HIS A 307 12.187 6.360 -3.570 1.00 0.00 H new ATOM 0 HB2 HIS A 307 13.200 8.570 -4.358 1.00 0.00 H new ATOM 0 HB3 HIS A 307 13.169 9.054 -2.675 1.00 0.00 H new ATOM 0 HD2 HIS A 307 15.508 8.449 -1.429 1.00 0.00 H new ATOM 0 HE1 HIS A 307 16.673 5.144 -3.810 1.00 0.00 H new ATOM 0 HE2 HIS A 307 17.318 6.694 -1.834 1.00 0.00 H new ATOM 246 N ASN A 308 11.045 8.065 -1.014 1.00 0.00 N ATOM 247 CA ASN A 308 10.704 7.969 0.395 1.00 0.00 C ATOM 248 C ASN A 308 9.896 6.691 0.634 1.00 0.00 C ATOM 249 O ASN A 308 10.110 5.993 1.624 1.00 0.00 O ATOM 250 CB ASN A 308 9.848 9.158 0.837 1.00 0.00 C ATOM 251 CG ASN A 308 10.621 10.471 0.698 1.00 0.00 C ATOM 252 OD1 ASN A 308 11.841 10.503 0.668 1.00 0.00 O ATOM 253 ND2 ASN A 308 9.847 11.549 0.616 1.00 0.00 N ATOM 0 H ASN A 308 10.756 8.933 -1.465 1.00 0.00 H new ATOM 0 HA ASN A 308 11.632 7.960 0.966 1.00 0.00 H new ATOM 0 HB2 ASN A 308 8.940 9.201 0.235 1.00 0.00 H new ATOM 0 HB3 ASN A 308 9.538 9.022 1.873 1.00 0.00 H new ATOM 0 HD21 ASN A 308 10.268 12.473 0.522 1.00 0.00 H new ATOM 0 HD22 ASN A 308 8.832 11.452 0.647 1.00 0.00 H new ATOM 260 N LEU A 309 8.985 6.424 -0.290 1.00 0.00 N ATOM 261 CA LEU A 309 8.145 5.242 -0.193 1.00 0.00 C ATOM 262 C LEU A 309 9.022 3.991 -0.263 1.00 0.00 C ATOM 263 O LEU A 309 8.758 3.004 0.422 1.00 0.00 O ATOM 264 CB LEU A 309 7.041 5.281 -1.252 1.00 0.00 C ATOM 265 CG LEU A 309 5.656 5.706 -0.762 1.00 0.00 C ATOM 266 CD1 LEU A 309 5.547 7.230 -0.682 1.00 0.00 C ATOM 267 CD2 LEU A 309 4.555 5.098 -1.634 1.00 0.00 C ATOM 0 H LEU A 309 8.810 7.006 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 309 7.631 5.217 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 309 7.349 5.963 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 309 6.958 4.290 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 309 5.517 5.319 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 309 4.553 7.506 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 309 6.296 7.612 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 309 5.715 7.659 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 309 3.580 5.416 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 309 4.679 5.434 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 309 4.620 4.011 -1.597 1.00 0.00 H new ATOM 279 N LEU A 310 10.047 4.072 -1.099 1.00 0.00 N ATOM 280 CA LEU A 310 10.964 2.957 -1.268 1.00 0.00 C ATOM 281 C LEU A 310 11.795 2.788 0.006 1.00 0.00 C ATOM 282 O LEU A 310 12.075 1.666 0.424 1.00 0.00 O ATOM 283 CB LEU A 310 11.807 3.144 -2.531 1.00 0.00 C ATOM 284 CG LEU A 310 11.111 2.822 -3.855 1.00 0.00 C ATOM 285 CD1 LEU A 310 12.024 3.131 -5.043 1.00 0.00 C ATOM 286 CD2 LEU A 310 10.615 1.375 -3.875 1.00 0.00 C ATOM 0 H LEU A 310 10.263 4.892 -1.666 1.00 0.00 H new ATOM 0 HA LEU A 310 10.412 2.029 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 310 12.150 4.178 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 310 12.695 2.517 -2.448 1.00 0.00 H new ATOM 0 HG LEU A 310 10.235 3.464 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 310 11.505 2.893 -5.972 1.00 0.00 H new ATOM 0 HD12 LEU A 310 12.287 4.189 -5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 310 12.931 2.531 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 310 10.124 1.172 -4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 310 11.461 0.699 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 310 9.906 1.222 -3.061 1.00 0.00 H new ATOM 298 N SER A 311 12.165 3.920 0.587 1.00 0.00 N ATOM 299 CA SER A 311 12.958 3.911 1.805 1.00 0.00 C ATOM 300 C SER A 311 12.085 3.506 2.995 1.00 0.00 C ATOM 301 O SER A 311 12.494 2.690 3.819 1.00 0.00 O ATOM 302 CB SER A 311 13.596 5.278 2.056 1.00 0.00 C ATOM 303 OG SER A 311 14.974 5.299 1.694 1.00 0.00 O ATOM 0 H SER A 311 11.931 4.849 0.237 1.00 0.00 H new ATOM 0 HA SER A 311 13.760 3.182 1.686 1.00 0.00 H new ATOM 0 HB2 SER A 311 13.060 6.038 1.487 1.00 0.00 H new ATOM 0 HB3 SER A 311 13.494 5.538 3.110 1.00 0.00 H new ATOM 0 HG SER A 311 15.344 6.190 1.868 1.00 0.00 H new ATOM 309 N ALA A 312 10.900 4.095 3.046 1.00 0.00 N ATOM 310 CA ALA A 312 9.966 3.806 4.121 1.00 0.00 C ATOM 311 C ALA A 312 9.586 2.325 4.075 1.00 0.00 C ATOM 312 O ALA A 312 9.166 1.757 5.083 1.00 0.00 O ATOM 313 CB ALA A 312 8.748 4.724 4.000 1.00 0.00 C ATOM 0 H ALA A 312 10.565 4.771 2.360 1.00 0.00 H new ATOM 0 HA ALA A 312 10.425 3.999 5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 312 8.047 4.507 4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 312 9.068 5.764 4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 312 8.260 4.556 3.040 1.00 0.00 H new ATOM 319 N SER A 313 9.746 1.741 2.897 1.00 0.00 N ATOM 320 CA SER A 313 9.425 0.337 2.707 1.00 0.00 C ATOM 321 C SER A 313 10.470 -0.538 3.403 1.00 0.00 C ATOM 322 O SER A 313 10.124 -1.504 4.081 1.00 0.00 O ATOM 323 CB SER A 313 9.345 -0.014 1.220 1.00 0.00 C ATOM 324 OG SER A 313 8.842 -1.330 1.008 1.00 0.00 O ATOM 0 H SER A 313 10.094 2.215 2.064 1.00 0.00 H new ATOM 0 HA SER A 313 8.448 0.147 3.150 1.00 0.00 H new ATOM 0 HB2 SER A 313 8.703 0.706 0.712 1.00 0.00 H new ATOM 0 HB3 SER A 313 10.336 0.072 0.774 1.00 0.00 H new ATOM 0 HG SER A 313 9.513 -1.986 1.291 1.00 0.00 H new ATOM 330 N LYS A 314 11.727 -0.166 3.213 1.00 0.00 N ATOM 331 CA LYS A 314 12.825 -0.905 3.814 1.00 0.00 C ATOM 332 C LYS A 314 13.031 -0.423 5.252 1.00 0.00 C ATOM 333 O LYS A 314 13.813 -1.007 6.000 1.00 0.00 O ATOM 334 CB LYS A 314 14.080 -0.801 2.945 1.00 0.00 C ATOM 335 CG LYS A 314 14.704 0.592 3.047 1.00 0.00 C ATOM 336 CD LYS A 314 16.206 0.542 2.763 1.00 0.00 C ATOM 337 CE LYS A 314 16.975 1.463 3.712 1.00 0.00 C ATOM 338 NZ LYS A 314 17.664 2.531 2.954 1.00 0.00 N ATOM 0 H LYS A 314 12.010 0.637 2.652 1.00 0.00 H new ATOM 0 HA LYS A 314 12.587 -1.968 3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 314 14.806 -1.552 3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 314 13.826 -1.015 1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 314 14.219 1.264 2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 314 14.532 0.999 4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 314 16.566 -0.481 2.872 1.00 0.00 H new ATOM 0 HD3 LYS A 314 16.395 0.838 1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 314 16.289 1.906 4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 314 17.704 0.884 4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 314 18.181 3.147 3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 314 18.333 2.104 2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 314 16.963 3.094 2.432 1.00 0.00 H new ATOM 352 N LEU A 315 12.315 0.638 5.595 1.00 0.00 N ATOM 353 CA LEU A 315 12.409 1.204 6.930 1.00 0.00 C ATOM 354 C LEU A 315 11.194 0.769 7.751 1.00 0.00 C ATOM 355 O LEU A 315 11.259 -0.210 8.492 1.00 0.00 O ATOM 356 CB LEU A 315 12.590 2.722 6.856 1.00 0.00 C ATOM 357 CG LEU A 315 14.013 3.215 6.586 1.00 0.00 C ATOM 358 CD1 LEU A 315 14.004 4.450 5.684 1.00 0.00 C ATOM 359 CD2 LEU A 315 14.763 3.468 7.895 1.00 0.00 C ATOM 0 H LEU A 315 11.668 1.120 4.972 1.00 0.00 H new ATOM 0 HA LEU A 315 13.293 0.825 7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 315 11.938 3.108 6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 315 12.249 3.155 7.796 1.00 0.00 H new ATOM 0 HG LEU A 315 14.550 2.431 6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 315 15.028 4.780 5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 315 13.534 4.202 4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 315 13.443 5.250 6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 315 15.772 3.818 7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 315 14.236 4.224 8.476 1.00 0.00 H new ATOM 0 HD23 LEU A 315 14.817 2.542 8.468 1.00 0.00 H new ATOM 371 N TYR A 316 10.113 1.519 7.591 1.00 0.00 N ATOM 372 CA TYR A 316 8.884 1.223 8.308 1.00 0.00 C ATOM 373 C TYR A 316 8.280 -0.102 7.838 1.00 0.00 C ATOM 374 O TYR A 316 8.395 -0.460 6.667 1.00 0.00 O ATOM 375 CB TYR A 316 7.916 2.359 7.972 1.00 0.00 C ATOM 376 CG TYR A 316 8.264 3.691 8.639 1.00 0.00 C ATOM 377 CD1 TYR A 316 9.171 4.544 8.044 1.00 0.00 C ATOM 378 CD2 TYR A 316 7.671 4.040 9.836 1.00 0.00 C ATOM 379 CE1 TYR A 316 9.499 5.798 8.672 1.00 0.00 C ATOM 380 CE2 TYR A 316 7.999 5.294 10.463 1.00 0.00 C ATOM 381 CZ TYR A 316 8.896 6.111 9.850 1.00 0.00 C ATOM 382 OH TYR A 316 9.206 7.295 10.443 1.00 0.00 O ATOM 0 H TYR A 316 10.063 2.331 6.976 1.00 0.00 H new ATOM 0 HA TYR A 316 9.075 1.139 9.378 1.00 0.00 H new ATOM 0 HB2 TYR A 316 7.898 2.499 6.891 1.00 0.00 H new ATOM 0 HB3 TYR A 316 6.910 2.066 8.272 1.00 0.00 H new ATOM 0 HD1 TYR A 316 9.635 4.271 7.108 1.00 0.00 H new ATOM 0 HD2 TYR A 316 6.961 3.373 10.302 1.00 0.00 H new ATOM 0 HE1 TYR A 316 10.208 6.474 8.218 1.00 0.00 H new ATOM 0 HE2 TYR A 316 7.543 5.579 11.399 1.00 0.00 H new ATOM 0 HH TYR A 316 8.699 7.386 11.277 1.00 0.00 H new ATOM 392 N ASN A 317 7.650 -0.794 8.776 1.00 0.00 N ATOM 393 CA ASN A 317 7.028 -2.072 8.473 1.00 0.00 C ATOM 394 C ASN A 317 5.618 -1.831 7.932 1.00 0.00 C ATOM 395 O ASN A 317 5.177 -2.518 7.011 1.00 0.00 O ATOM 396 CB ASN A 317 6.912 -2.939 9.728 1.00 0.00 C ATOM 397 CG ASN A 317 7.933 -4.078 9.704 1.00 0.00 C ATOM 398 OD1 ASN A 317 7.600 -5.243 9.562 1.00 0.00 O ATOM 399 ND2 ASN A 317 9.193 -3.678 9.851 1.00 0.00 N ATOM 0 H ASN A 317 7.557 -0.494 9.746 1.00 0.00 H new ATOM 0 HA ASN A 317 7.649 -2.584 7.738 1.00 0.00 H new ATOM 0 HB2 ASN A 317 7.068 -2.324 10.615 1.00 0.00 H new ATOM 0 HB3 ASN A 317 5.905 -3.350 9.799 1.00 0.00 H new ATOM 0 HD21 ASN A 317 9.949 -4.363 9.849 1.00 0.00 H new ATOM 0 HD22 ASN A 317 9.403 -2.686 9.966 1.00 0.00 H new ATOM 406 N ASN A 318 4.949 -0.854 8.526 1.00 0.00 N ATOM 407 CA ASN A 318 3.597 -0.515 8.115 1.00 0.00 C ATOM 408 C ASN A 318 3.289 0.925 8.529 1.00 0.00 C ATOM 409 O ASN A 318 3.600 1.334 9.647 1.00 0.00 O ATOM 410 CB ASN A 318 2.571 -1.430 8.786 1.00 0.00 C ATOM 411 CG ASN A 318 3.101 -1.964 10.118 1.00 0.00 C ATOM 412 OD1 ASN A 318 3.479 -3.117 10.247 1.00 0.00 O ATOM 413 ND2 ASN A 318 3.108 -1.065 11.097 1.00 0.00 N ATOM 0 H ASN A 318 5.318 -0.286 9.289 1.00 0.00 H new ATOM 0 HA ASN A 318 3.533 -0.635 7.033 1.00 0.00 H new ATOM 0 HB2 ASN A 318 1.644 -0.882 8.953 1.00 0.00 H new ATOM 0 HB3 ASN A 318 2.334 -2.263 8.124 1.00 0.00 H new ATOM 0 HD21 ASN A 318 3.444 -1.324 12.025 1.00 0.00 H new ATOM 0 HD22 ASN A 318 2.777 -0.116 10.921 1.00 0.00 H new ATOM 420 N ILE A 319 2.681 1.656 7.606 1.00 0.00 N ATOM 421 CA ILE A 319 2.327 3.042 7.862 1.00 0.00 C ATOM 422 C ILE A 319 1.028 3.376 7.127 1.00 0.00 C ATOM 423 O ILE A 319 0.768 2.850 6.046 1.00 0.00 O ATOM 424 CB ILE A 319 3.492 3.967 7.503 1.00 0.00 C ATOM 425 CG1 ILE A 319 3.157 5.423 7.833 1.00 0.00 C ATOM 426 CG2 ILE A 319 3.901 3.791 6.039 1.00 0.00 C ATOM 427 CD1 ILE A 319 4.240 6.367 7.306 1.00 0.00 C ATOM 0 H ILE A 319 2.425 1.314 6.680 1.00 0.00 H new ATOM 0 HA ILE A 319 2.142 3.198 8.925 1.00 0.00 H new ATOM 0 HB ILE A 319 4.351 3.687 8.113 1.00 0.00 H new ATOM 0 HG12 ILE A 319 2.195 5.687 7.395 1.00 0.00 H new ATOM 0 HG13 ILE A 319 3.059 5.542 8.912 1.00 0.00 H new ATOM 0 HG21 ILE A 319 4.731 4.460 5.810 1.00 0.00 H new ATOM 0 HG22 ILE A 319 4.209 2.759 5.869 1.00 0.00 H new ATOM 0 HG23 ILE A 319 3.055 4.028 5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 319 3.978 7.396 7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 319 5.196 6.116 7.765 1.00 0.00 H new ATOM 0 HD13 ILE A 319 4.318 6.263 6.224 1.00 0.00 H new ATOM 439 N THR A 320 0.245 4.249 7.744 1.00 0.00 N ATOM 440 CA THR A 320 -1.022 4.660 7.162 1.00 0.00 C ATOM 441 C THR A 320 -0.818 5.856 6.230 1.00 0.00 C ATOM 442 O THR A 320 0.210 6.529 6.293 1.00 0.00 O ATOM 443 CB THR A 320 -1.999 4.940 8.306 1.00 0.00 C ATOM 444 OG1 THR A 320 -1.402 6.024 9.014 1.00 0.00 O ATOM 445 CG2 THR A 320 -2.043 3.805 9.330 1.00 0.00 C ATOM 0 H THR A 320 0.463 4.683 8.641 1.00 0.00 H new ATOM 0 HA THR A 320 -1.446 3.872 6.539 1.00 0.00 H new ATOM 0 HB THR A 320 -2.998 5.100 7.900 1.00 0.00 H new ATOM 0 HG1 THR A 320 -1.971 6.272 9.772 1.00 0.00 H new ATOM 0 HG21 THR A 320 -2.751 4.055 10.120 1.00 0.00 H new ATOM 0 HG22 THR A 320 -2.357 2.884 8.839 1.00 0.00 H new ATOM 0 HG23 THR A 320 -1.052 3.666 9.762 1.00 0.00 H new ATOM 453 N PHE A 321 -1.814 6.084 5.386 1.00 0.00 N ATOM 454 CA PHE A 321 -1.756 7.187 4.442 1.00 0.00 C ATOM 455 C PHE A 321 -1.543 8.518 5.166 1.00 0.00 C ATOM 456 O PHE A 321 -0.801 9.376 4.689 1.00 0.00 O ATOM 457 CB PHE A 321 -3.103 7.225 3.716 1.00 0.00 C ATOM 458 CG PHE A 321 -3.513 5.889 3.094 1.00 0.00 C ATOM 459 CD1 PHE A 321 -2.813 5.385 2.042 1.00 0.00 C ATOM 460 CD2 PHE A 321 -4.577 5.204 3.594 1.00 0.00 C ATOM 461 CE1 PHE A 321 -3.193 4.145 1.465 1.00 0.00 C ATOM 462 CE2 PHE A 321 -4.957 3.964 3.016 1.00 0.00 C ATOM 463 CZ PHE A 321 -4.257 3.460 1.964 1.00 0.00 C ATOM 0 H PHE A 321 -2.665 5.524 5.336 1.00 0.00 H new ATOM 0 HA PHE A 321 -0.925 7.043 3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 321 -3.874 7.538 4.419 1.00 0.00 H new ATOM 0 HB3 PHE A 321 -3.060 7.981 2.932 1.00 0.00 H new ATOM 0 HD1 PHE A 321 -1.968 5.928 1.646 1.00 0.00 H new ATOM 0 HD2 PHE A 321 -5.132 5.603 4.430 1.00 0.00 H new ATOM 0 HE1 PHE A 321 -2.637 3.745 0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 321 -5.802 3.421 3.412 1.00 0.00 H new ATOM 0 HZ PHE A 321 -4.546 2.516 1.525 1.00 0.00 H new ATOM 473 N GLU A 322 -2.206 8.648 6.305 1.00 0.00 N ATOM 474 CA GLU A 322 -2.098 9.860 7.100 1.00 0.00 C ATOM 475 C GLU A 322 -0.653 10.068 7.557 1.00 0.00 C ATOM 476 O GLU A 322 -0.103 11.158 7.411 1.00 0.00 O ATOM 477 CB GLU A 322 -3.051 9.818 8.296 1.00 0.00 C ATOM 478 CG GLU A 322 -4.494 10.071 7.857 1.00 0.00 C ATOM 479 CD GLU A 322 -5.484 9.574 8.913 1.00 0.00 C ATOM 480 OE1 GLU A 322 -5.239 8.470 9.445 1.00 0.00 O ATOM 481 OE2 GLU A 322 -6.463 10.310 9.164 1.00 0.00 O ATOM 0 H GLU A 322 -2.820 7.934 6.697 1.00 0.00 H new ATOM 0 HA GLU A 322 -2.387 10.707 6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 322 -2.981 8.847 8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 322 -2.753 10.568 9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 322 -4.644 11.137 7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 322 -4.683 9.566 6.910 1.00 0.00 H new ATOM 488 N GLU A 323 -0.079 9.005 8.101 1.00 0.00 N ATOM 489 CA GLU A 323 1.292 9.057 8.580 1.00 0.00 C ATOM 490 C GLU A 323 2.264 9.126 7.401 1.00 0.00 C ATOM 491 O GLU A 323 3.204 9.919 7.412 1.00 0.00 O ATOM 492 CB GLU A 323 1.604 7.860 9.480 1.00 0.00 C ATOM 493 CG GLU A 323 0.808 7.931 10.784 1.00 0.00 C ATOM 494 CD GLU A 323 1.322 9.060 11.680 1.00 0.00 C ATOM 495 OE1 GLU A 323 2.430 8.887 12.232 1.00 0.00 O ATOM 496 OE2 GLU A 323 0.595 10.071 11.792 1.00 0.00 O ATOM 0 H GLU A 323 -0.539 8.102 8.221 1.00 0.00 H new ATOM 0 HA GLU A 323 1.413 9.960 9.178 1.00 0.00 H new ATOM 0 HB2 GLU A 323 1.367 6.935 8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 323 2.671 7.836 9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 323 -0.247 8.090 10.562 1.00 0.00 H new ATOM 0 HG3 GLU A 323 0.883 6.980 11.312 1.00 0.00 H new ATOM 503 N LEU A 324 2.005 8.283 6.412 1.00 0.00 N ATOM 504 CA LEU A 324 2.845 8.238 5.227 1.00 0.00 C ATOM 505 C LEU A 324 2.886 9.625 4.583 1.00 0.00 C ATOM 506 O LEU A 324 3.948 10.092 4.174 1.00 0.00 O ATOM 507 CB LEU A 324 2.376 7.133 4.279 1.00 0.00 C ATOM 508 CG LEU A 324 3.452 6.514 3.385 1.00 0.00 C ATOM 509 CD1 LEU A 324 2.982 5.179 2.805 1.00 0.00 C ATOM 510 CD2 LEU A 324 3.886 7.493 2.292 1.00 0.00 C ATOM 0 H LEU A 324 1.225 7.626 6.407 1.00 0.00 H new ATOM 0 HA LEU A 324 3.870 7.981 5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 324 1.925 6.339 4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 324 1.591 7.538 3.641 1.00 0.00 H new ATOM 0 HG LEU A 324 4.329 6.307 3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 324 3.766 4.761 2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 324 2.762 4.486 3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 324 2.082 5.337 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 324 4.651 7.028 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 324 3.026 7.754 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 324 4.290 8.395 2.751 1.00 0.00 H new ATOM 522 N GLY A 325 1.717 10.244 4.513 1.00 0.00 N ATOM 523 CA GLY A 325 1.606 11.569 3.925 1.00 0.00 C ATOM 524 C GLY A 325 2.283 12.619 4.808 1.00 0.00 C ATOM 525 O GLY A 325 2.822 13.604 4.305 1.00 0.00 O ATOM 0 H GLY A 325 0.838 9.853 4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 325 2.063 11.571 2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 325 0.555 11.824 3.791 1.00 0.00 H new ATOM 529 N ALA A 326 2.233 12.373 6.109 1.00 0.00 N ATOM 530 CA ALA A 326 2.835 13.285 7.066 1.00 0.00 C ATOM 531 C ALA A 326 4.359 13.189 6.968 1.00 0.00 C ATOM 532 O ALA A 326 5.066 14.144 7.283 1.00 0.00 O ATOM 533 CB ALA A 326 2.320 12.964 8.471 1.00 0.00 C ATOM 0 H ALA A 326 1.785 11.555 6.522 1.00 0.00 H new ATOM 0 HA ALA A 326 2.555 14.314 6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 326 2.772 13.648 9.189 1.00 0.00 H new ATOM 0 HB2 ALA A 326 1.236 13.076 8.496 1.00 0.00 H new ATOM 0 HB3 ALA A 326 2.585 11.939 8.730 1.00 0.00 H new ATOM 539 N LEU A 327 4.819 12.026 6.530 1.00 0.00 N ATOM 540 CA LEU A 327 6.246 11.793 6.386 1.00 0.00 C ATOM 541 C LEU A 327 6.755 12.521 5.140 1.00 0.00 C ATOM 542 O LEU A 327 7.852 13.078 5.147 1.00 0.00 O ATOM 543 CB LEU A 327 6.546 10.292 6.386 1.00 0.00 C ATOM 544 CG LEU A 327 7.677 9.834 5.462 1.00 0.00 C ATOM 545 CD1 LEU A 327 9.027 10.372 5.941 1.00 0.00 C ATOM 546 CD2 LEU A 327 7.685 8.311 5.319 1.00 0.00 C ATOM 0 H LEU A 327 4.229 11.235 6.270 1.00 0.00 H new ATOM 0 HA LEU A 327 6.787 12.204 7.239 1.00 0.00 H new ATOM 0 HB2 LEU A 327 6.791 9.991 7.404 1.00 0.00 H new ATOM 0 HB3 LEU A 327 5.637 9.760 6.106 1.00 0.00 H new ATOM 0 HG LEU A 327 7.498 10.249 4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 327 9.814 10.032 5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 327 9.002 11.462 5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 327 9.228 10.006 6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 327 8.498 8.012 4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 327 7.827 7.854 6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 327 6.735 7.980 4.899 1.00 0.00 H new ATOM 558 N LEU A 328 5.933 12.494 4.101 1.00 0.00 N ATOM 559 CA LEU A 328 6.286 13.145 2.851 1.00 0.00 C ATOM 560 C LEU A 328 5.712 14.564 2.840 1.00 0.00 C ATOM 561 O LEU A 328 5.902 15.306 1.877 1.00 0.00 O ATOM 562 CB LEU A 328 5.844 12.294 1.660 1.00 0.00 C ATOM 563 CG LEU A 328 5.790 10.783 1.898 1.00 0.00 C ATOM 564 CD1 LEU A 328 4.559 10.166 1.231 1.00 0.00 C ATOM 565 CD2 LEU A 328 7.086 10.110 1.443 1.00 0.00 C ATOM 0 H LEU A 328 5.024 12.032 4.099 1.00 0.00 H new ATOM 0 HA LEU A 328 7.368 13.238 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 328 4.855 12.628 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 328 6.523 12.487 0.829 1.00 0.00 H new ATOM 0 HG LEU A 328 5.696 10.609 2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 328 4.545 9.092 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 328 3.657 10.617 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 328 4.597 10.349 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 328 7.021 9.037 1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 328 7.236 10.291 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 328 7.926 10.522 2.003 1.00 0.00 H new ATOM 577 N GLU A 329 5.023 14.897 3.921 1.00 0.00 N ATOM 578 CA GLU A 329 4.420 16.213 4.048 1.00 0.00 C ATOM 579 C GLU A 329 3.227 16.344 3.099 1.00 0.00 C ATOM 580 O GLU A 329 2.631 17.415 2.990 1.00 0.00 O ATOM 581 CB GLU A 329 5.450 17.315 3.789 1.00 0.00 C ATOM 582 CG GLU A 329 6.698 17.112 4.652 1.00 0.00 C ATOM 583 CD GLU A 329 6.573 17.861 5.980 1.00 0.00 C ATOM 584 OE1 GLU A 329 5.674 17.484 6.762 1.00 0.00 O ATOM 585 OE2 GLU A 329 7.381 18.793 6.184 1.00 0.00 O ATOM 0 H GLU A 329 4.869 14.278 4.717 1.00 0.00 H new ATOM 0 HA GLU A 329 4.061 16.330 5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 329 5.728 17.317 2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 329 5.009 18.288 4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 329 6.844 16.049 4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 329 7.578 17.463 4.113 1.00 0.00 H new ATOM 592 N ILE A 330 2.915 15.240 2.436 1.00 0.00 N ATOM 593 CA ILE A 330 1.804 15.219 1.500 1.00 0.00 C ATOM 594 C ILE A 330 0.584 14.590 2.177 1.00 0.00 C ATOM 595 O ILE A 330 0.713 13.930 3.207 1.00 0.00 O ATOM 596 CB ILE A 330 2.212 14.523 0.200 1.00 0.00 C ATOM 597 CG1 ILE A 330 2.111 13.003 0.336 1.00 0.00 C ATOM 598 CG2 ILE A 330 3.607 14.967 -0.245 1.00 0.00 C ATOM 599 CD1 ILE A 330 2.504 12.308 -0.970 1.00 0.00 C ATOM 0 H ILE A 330 3.412 14.354 2.528 1.00 0.00 H new ATOM 0 HA ILE A 330 1.525 16.234 1.218 1.00 0.00 H new ATOM 0 HB ILE A 330 1.514 14.823 -0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 330 2.760 12.663 1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.093 12.725 0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 330 3.873 14.458 -1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 330 3.611 16.044 -0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 330 4.333 14.716 0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 330 2.423 11.228 -0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 330 1.838 12.632 -1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 330 3.531 12.568 -1.226 1.00 0.00 H new ATOM 611 N PRO A 331 -0.602 14.823 1.554 1.00 0.00 N ATOM 612 CA PRO A 331 -1.844 14.286 2.085 1.00 0.00 C ATOM 613 C PRO A 331 -1.955 12.785 1.811 1.00 0.00 C ATOM 614 O PRO A 331 -1.288 12.263 0.919 1.00 0.00 O ATOM 615 CB PRO A 331 -2.941 15.096 1.414 1.00 0.00 C ATOM 616 CG PRO A 331 -2.300 15.734 0.192 1.00 0.00 C ATOM 617 CD PRO A 331 -0.793 15.599 0.333 1.00 0.00 C ATOM 0 HA PRO A 331 -1.910 14.373 3.170 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -3.778 14.459 1.128 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -3.335 15.855 2.090 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -2.644 15.244 -0.719 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -2.584 16.784 0.116 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -0.359 15.093 -0.529 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -0.313 16.575 0.405 1.00 0.00 H new ATOM 625 N ALA A 332 -2.802 12.134 2.594 1.00 0.00 N ATOM 626 CA ALA A 332 -3.009 10.703 2.446 1.00 0.00 C ATOM 627 C ALA A 332 -3.497 10.407 1.027 1.00 0.00 C ATOM 628 O ALA A 332 -3.165 9.369 0.457 1.00 0.00 O ATOM 629 CB ALA A 332 -3.991 10.216 3.514 1.00 0.00 C ATOM 0 H ALA A 332 -3.353 12.571 3.333 1.00 0.00 H new ATOM 0 HA ALA A 332 -2.074 10.163 2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 332 -4.146 9.143 3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 332 -3.584 10.423 4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 332 -4.943 10.734 3.397 1.00 0.00 H new ATOM 635 N ALA A 333 -4.277 11.337 0.497 1.00 0.00 N ATOM 636 CA ALA A 333 -4.814 11.189 -0.845 1.00 0.00 C ATOM 637 C ALA A 333 -3.662 11.170 -1.851 1.00 0.00 C ATOM 638 O ALA A 333 -3.699 10.424 -2.828 1.00 0.00 O ATOM 639 CB ALA A 333 -5.813 12.314 -1.123 1.00 0.00 C ATOM 0 H ALA A 333 -4.550 12.197 0.973 1.00 0.00 H new ATOM 0 HA ALA A 333 -5.351 10.246 -0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 333 -6.216 12.203 -2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 333 -6.627 12.265 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 333 -5.309 13.277 -1.038 1.00 0.00 H new ATOM 645 N LYS A 334 -2.666 12.000 -1.578 1.00 0.00 N ATOM 646 CA LYS A 334 -1.506 12.088 -2.448 1.00 0.00 C ATOM 647 C LYS A 334 -0.625 10.854 -2.243 1.00 0.00 C ATOM 648 O LYS A 334 -0.202 10.221 -3.209 1.00 0.00 O ATOM 649 CB LYS A 334 -0.770 13.412 -2.227 1.00 0.00 C ATOM 650 CG LYS A 334 -0.050 13.858 -3.501 1.00 0.00 C ATOM 651 CD LYS A 334 -1.035 14.017 -4.660 1.00 0.00 C ATOM 652 CE LYS A 334 -0.487 14.979 -5.717 1.00 0.00 C ATOM 653 NZ LYS A 334 -1.102 14.705 -7.035 1.00 0.00 N ATOM 0 H LYS A 334 -2.639 12.617 -0.767 1.00 0.00 H new ATOM 0 HA LYS A 334 -1.814 12.091 -3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -1.480 14.180 -1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -0.049 13.301 -1.417 1.00 0.00 H new ATOM 0 HG2 LYS A 334 0.462 14.804 -3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 334 0.714 13.127 -3.766 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -1.229 13.045 -5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -1.988 14.389 -4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 334 -0.690 16.008 -5.421 1.00 0.00 H new ATOM 0 HE3 LYS A 334 0.596 14.875 -5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 -0.953 15.520 -7.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -0.664 13.860 -7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 -2.122 14.543 -6.915 1.00 0.00 H new ATOM 667 N ALA A 335 -0.375 10.548 -0.978 1.00 0.00 N ATOM 668 CA ALA A 335 0.447 9.401 -0.634 1.00 0.00 C ATOM 669 C ALA A 335 -0.250 8.121 -1.099 1.00 0.00 C ATOM 670 O ALA A 335 0.408 7.153 -1.476 1.00 0.00 O ATOM 671 CB ALA A 335 0.721 9.402 0.871 1.00 0.00 C ATOM 0 H ALA A 335 -0.728 11.075 -0.179 1.00 0.00 H new ATOM 0 HA ALA A 335 1.411 9.454 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 335 1.338 8.541 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 335 1.244 10.318 1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 335 -0.223 9.347 1.413 1.00 0.00 H new ATOM 677 N GLU A 336 -1.574 8.158 -1.057 1.00 0.00 N ATOM 678 CA GLU A 336 -2.368 7.013 -1.469 1.00 0.00 C ATOM 679 C GLU A 336 -2.255 6.805 -2.980 1.00 0.00 C ATOM 680 O GLU A 336 -2.065 5.681 -3.443 1.00 0.00 O ATOM 681 CB GLU A 336 -3.829 7.178 -1.046 1.00 0.00 C ATOM 682 CG GLU A 336 -4.676 5.998 -1.526 1.00 0.00 C ATOM 683 CD GLU A 336 -6.103 6.443 -1.853 1.00 0.00 C ATOM 684 OE1 GLU A 336 -6.711 7.090 -0.973 1.00 0.00 O ATOM 685 OE2 GLU A 336 -6.553 6.127 -2.975 1.00 0.00 O ATOM 0 H GLU A 336 -2.117 8.963 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 336 -1.978 6.126 -0.970 1.00 0.00 H new ATOM 0 HB2 GLU A 336 -3.890 7.256 0.039 1.00 0.00 H new ATOM 0 HB3 GLU A 336 -4.227 8.106 -1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 336 -4.219 5.553 -2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 336 -4.699 5.226 -0.757 1.00 0.00 H new ATOM 692 N LYS A 337 -2.376 7.906 -3.708 1.00 0.00 N ATOM 693 CA LYS A 337 -2.289 7.858 -5.157 1.00 0.00 C ATOM 694 C LYS A 337 -0.863 7.483 -5.567 1.00 0.00 C ATOM 695 O LYS A 337 -0.666 6.630 -6.430 1.00 0.00 O ATOM 696 CB LYS A 337 -2.778 9.173 -5.767 1.00 0.00 C ATOM 697 CG LYS A 337 -2.339 9.298 -7.227 1.00 0.00 C ATOM 698 CD LYS A 337 -3.146 8.359 -8.125 1.00 0.00 C ATOM 699 CE LYS A 337 -3.939 9.147 -9.171 1.00 0.00 C ATOM 700 NZ LYS A 337 -3.240 9.125 -10.475 1.00 0.00 N ATOM 0 H LYS A 337 -2.534 8.836 -3.321 1.00 0.00 H new ATOM 0 HA LYS A 337 -2.948 7.085 -5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 337 -3.865 9.225 -5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 337 -2.386 10.012 -5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 337 -2.468 10.327 -7.562 1.00 0.00 H new ATOM 0 HG3 LYS A 337 -1.278 9.065 -7.312 1.00 0.00 H new ATOM 0 HD2 LYS A 337 -2.474 7.660 -8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 337 -3.829 7.766 -7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 337 -4.936 8.719 -9.279 1.00 0.00 H new ATOM 0 HE3 LYS A 337 -4.068 10.177 -8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 -3.791 9.664 -11.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 -2.298 9.554 -10.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 -3.139 8.142 -10.798 1.00 0.00 H new ATOM 714 N ILE A 338 0.094 8.140 -4.928 1.00 0.00 N ATOM 715 CA ILE A 338 1.495 7.886 -5.214 1.00 0.00 C ATOM 716 C ILE A 338 1.835 6.442 -4.841 1.00 0.00 C ATOM 717 O ILE A 338 2.461 5.726 -5.620 1.00 0.00 O ATOM 718 CB ILE A 338 2.380 8.925 -4.522 1.00 0.00 C ATOM 719 CG1 ILE A 338 2.088 10.332 -5.047 1.00 0.00 C ATOM 720 CG2 ILE A 338 3.860 8.560 -4.655 1.00 0.00 C ATOM 721 CD1 ILE A 338 2.876 11.384 -4.265 1.00 0.00 C ATOM 0 H ILE A 338 -0.074 8.848 -4.213 1.00 0.00 H new ATOM 0 HA ILE A 338 1.691 7.994 -6.281 1.00 0.00 H new ATOM 0 HB ILE A 338 2.141 8.922 -3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 338 2.347 10.390 -6.104 1.00 0.00 H new ATOM 0 HG13 ILE A 338 1.021 10.539 -4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 338 4.467 9.314 -4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 338 4.038 7.588 -4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 338 4.131 8.517 -5.710 1.00 0.00 H new ATOM 0 HD11 ILE A 338 2.650 12.375 -4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 338 2.597 11.339 -3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 338 3.944 11.188 -4.366 1.00 0.00 H new ATOM 733 N ALA A 339 1.406 6.057 -3.648 1.00 0.00 N ATOM 734 CA ALA A 339 1.657 4.711 -3.161 1.00 0.00 C ATOM 735 C ALA A 339 1.085 3.699 -4.156 1.00 0.00 C ATOM 736 O ALA A 339 1.727 2.695 -4.463 1.00 0.00 O ATOM 737 CB ALA A 339 1.059 4.554 -1.761 1.00 0.00 C ATOM 0 H ALA A 339 0.886 6.654 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 339 2.728 4.526 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 339 1.247 3.544 -1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 339 1.519 5.276 -1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 339 -0.016 4.730 -1.803 1.00 0.00 H new ATOM 743 N SER A 340 -0.114 3.998 -4.632 1.00 0.00 N ATOM 744 CA SER A 340 -0.780 3.126 -5.585 1.00 0.00 C ATOM 745 C SER A 340 -0.083 3.210 -6.945 1.00 0.00 C ATOM 746 O SER A 340 0.194 2.187 -7.568 1.00 0.00 O ATOM 747 CB SER A 340 -2.259 3.490 -5.724 1.00 0.00 C ATOM 748 OG SER A 340 -3.086 2.333 -5.823 1.00 0.00 O ATOM 0 H SER A 340 -0.642 4.832 -4.376 1.00 0.00 H new ATOM 0 HA SER A 340 -0.719 2.103 -5.214 1.00 0.00 H new ATOM 0 HB2 SER A 340 -2.568 4.085 -4.864 1.00 0.00 H new ATOM 0 HB3 SER A 340 -2.398 4.112 -6.608 1.00 0.00 H new ATOM 0 HG SER A 340 -4.023 2.607 -5.909 1.00 0.00 H new ATOM 754 N GLN A 341 0.180 4.439 -7.365 1.00 0.00 N ATOM 755 CA GLN A 341 0.840 4.669 -8.639 1.00 0.00 C ATOM 756 C GLN A 341 2.214 3.998 -8.654 1.00 0.00 C ATOM 757 O GLN A 341 2.642 3.475 -9.682 1.00 0.00 O ATOM 758 CB GLN A 341 0.957 6.166 -8.932 1.00 0.00 C ATOM 759 CG GLN A 341 -0.101 6.611 -9.944 1.00 0.00 C ATOM 760 CD GLN A 341 0.550 7.099 -11.240 1.00 0.00 C ATOM 761 OE1 GLN A 341 1.388 6.439 -11.831 1.00 0.00 O ATOM 762 NE2 GLN A 341 0.119 8.290 -11.647 1.00 0.00 N ATOM 0 H GLN A 341 -0.052 5.286 -6.846 1.00 0.00 H new ATOM 0 HA GLN A 341 0.232 4.224 -9.427 1.00 0.00 H new ATOM 0 HB2 GLN A 341 0.841 6.731 -8.007 1.00 0.00 H new ATOM 0 HB3 GLN A 341 1.952 6.388 -9.319 1.00 0.00 H new ATOM 0 HG2 GLN A 341 -0.774 5.781 -10.161 1.00 0.00 H new ATOM 0 HG3 GLN A 341 -0.707 7.409 -9.515 1.00 0.00 H new ATOM 0 HE21 GLN A 341 -0.585 8.790 -11.105 1.00 0.00 H new ATOM 0 HE22 GLN A 341 0.493 8.703 -12.501 1.00 0.00 H new ATOM 771 N MET A 342 2.868 4.034 -7.502 1.00 0.00 N ATOM 772 CA MET A 342 4.185 3.435 -7.371 1.00 0.00 C ATOM 773 C MET A 342 4.128 1.925 -7.611 1.00 0.00 C ATOM 774 O MET A 342 4.922 1.385 -8.380 1.00 0.00 O ATOM 775 CB MET A 342 4.733 3.709 -5.968 1.00 0.00 C ATOM 776 CG MET A 342 5.115 5.181 -5.807 1.00 0.00 C ATOM 777 SD MET A 342 6.840 5.412 -6.204 1.00 0.00 S ATOM 778 CE MET A 342 7.592 4.627 -4.789 1.00 0.00 C ATOM 0 H MET A 342 2.510 4.469 -6.651 1.00 0.00 H new ATOM 0 HA MET A 342 4.841 3.878 -8.120 1.00 0.00 H new ATOM 0 HB2 MET A 342 3.985 3.440 -5.222 1.00 0.00 H new ATOM 0 HB3 MET A 342 5.605 3.081 -5.785 1.00 0.00 H new ATOM 0 HG2 MET A 342 4.498 5.799 -6.459 1.00 0.00 H new ATOM 0 HG3 MET A 342 4.922 5.505 -4.784 1.00 0.00 H new ATOM 0 HE1 MET A 342 8.623 4.362 -5.025 1.00 0.00 H new ATOM 0 HE2 MET A 342 7.579 5.313 -3.942 1.00 0.00 H new ATOM 0 HE3 MET A 342 7.035 3.726 -4.534 1.00 0.00 H new ATOM 788 N ILE A 343 3.182 1.287 -6.939 1.00 0.00 N ATOM 789 CA ILE A 343 3.011 -0.150 -7.069 1.00 0.00 C ATOM 790 C ILE A 343 2.509 -0.474 -8.478 1.00 0.00 C ATOM 791 O ILE A 343 2.839 -1.520 -9.034 1.00 0.00 O ATOM 792 CB ILE A 343 2.107 -0.686 -5.957 1.00 0.00 C ATOM 793 CG1 ILE A 343 2.826 -0.659 -4.606 1.00 0.00 C ATOM 794 CG2 ILE A 343 1.583 -2.082 -6.300 1.00 0.00 C ATOM 795 CD1 ILE A 343 1.836 -0.846 -3.455 1.00 0.00 C ATOM 0 H ILE A 343 2.525 1.739 -6.302 1.00 0.00 H new ATOM 0 HA ILE A 343 3.967 -0.659 -6.944 1.00 0.00 H new ATOM 0 HB ILE A 343 1.241 -0.029 -5.875 1.00 0.00 H new ATOM 0 HG12 ILE A 343 3.579 -1.447 -4.575 1.00 0.00 H new ATOM 0 HG13 ILE A 343 3.351 0.289 -4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 343 0.943 -2.439 -5.493 1.00 0.00 H new ATOM 0 HG22 ILE A 343 1.009 -2.038 -7.226 1.00 0.00 H new ATOM 0 HG23 ILE A 343 2.423 -2.765 -6.426 1.00 0.00 H new ATOM 0 HD11 ILE A 343 2.372 -0.823 -2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 343 1.099 -0.043 -3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 343 1.330 -1.805 -3.562 1.00 0.00 H new ATOM 807 N THR A 344 1.718 0.444 -9.015 1.00 0.00 N ATOM 808 CA THR A 344 1.167 0.270 -10.348 1.00 0.00 C ATOM 809 C THR A 344 2.272 0.384 -11.401 1.00 0.00 C ATOM 810 O THR A 344 2.204 -0.257 -12.449 1.00 0.00 O ATOM 811 CB THR A 344 0.044 1.291 -10.533 1.00 0.00 C ATOM 812 OG1 THR A 344 -1.120 0.617 -10.062 1.00 0.00 O ATOM 813 CG2 THR A 344 -0.258 1.570 -12.007 1.00 0.00 C ATOM 0 H THR A 344 1.446 1.310 -8.551 1.00 0.00 H new ATOM 0 HA THR A 344 0.743 -0.726 -10.473 1.00 0.00 H new ATOM 0 HB THR A 344 0.316 2.222 -10.036 1.00 0.00 H new ATOM 0 HG1 THR A 344 -1.897 1.209 -10.144 1.00 0.00 H new ATOM 0 HG21 THR A 344 -1.063 2.301 -12.081 1.00 0.00 H new ATOM 0 HG22 THR A 344 0.635 1.962 -12.493 1.00 0.00 H new ATOM 0 HG23 THR A 344 -0.562 0.645 -12.498 1.00 0.00 H new ATOM 821 N GLU A 345 3.263 1.205 -11.085 1.00 0.00 N ATOM 822 CA GLU A 345 4.380 1.411 -11.991 1.00 0.00 C ATOM 823 C GLU A 345 5.457 0.350 -11.756 1.00 0.00 C ATOM 824 O GLU A 345 6.410 0.246 -12.527 1.00 0.00 O ATOM 825 CB GLU A 345 4.957 2.820 -11.838 1.00 0.00 C ATOM 826 CG GLU A 345 4.083 3.851 -12.557 1.00 0.00 C ATOM 827 CD GLU A 345 4.935 4.786 -13.419 1.00 0.00 C ATOM 828 OE1 GLU A 345 5.598 4.261 -14.340 1.00 0.00 O ATOM 829 OE2 GLU A 345 4.904 6.003 -13.137 1.00 0.00 O ATOM 0 H GLU A 345 3.316 1.735 -10.215 1.00 0.00 H new ATOM 0 HA GLU A 345 4.016 1.311 -13.014 1.00 0.00 H new ATOM 0 HB2 GLU A 345 5.030 3.074 -10.781 1.00 0.00 H new ATOM 0 HB3 GLU A 345 5.968 2.849 -12.244 1.00 0.00 H new ATOM 0 HG2 GLU A 345 3.351 3.340 -13.183 1.00 0.00 H new ATOM 0 HG3 GLU A 345 3.525 4.434 -11.825 1.00 0.00 H new ATOM 836 N GLY A 346 5.270 -0.410 -10.687 1.00 0.00 N ATOM 837 CA GLY A 346 6.214 -1.459 -10.341 1.00 0.00 C ATOM 838 C GLY A 346 7.326 -0.921 -9.438 1.00 0.00 C ATOM 839 O GLY A 346 7.966 -1.682 -8.714 1.00 0.00 O ATOM 0 H GLY A 346 4.479 -0.320 -10.049 1.00 0.00 H new ATOM 0 HA2 GLY A 346 5.691 -2.271 -9.836 1.00 0.00 H new ATOM 0 HA3 GLY A 346 6.648 -1.876 -11.249 1.00 0.00 H new ATOM 843 N ARG A 347 7.522 0.387 -9.512 1.00 0.00 N ATOM 844 CA ARG A 347 8.546 1.036 -8.711 1.00 0.00 C ATOM 845 C ARG A 347 8.534 0.483 -7.284 1.00 0.00 C ATOM 846 O ARG A 347 9.587 0.313 -6.671 1.00 0.00 O ATOM 847 CB ARG A 347 8.331 2.551 -8.665 1.00 0.00 C ATOM 848 CG ARG A 347 8.714 3.199 -9.997 1.00 0.00 C ATOM 849 CD ARG A 347 8.838 4.717 -9.852 1.00 0.00 C ATOM 850 NE ARG A 347 8.963 5.345 -11.186 1.00 0.00 N ATOM 851 CZ ARG A 347 10.060 5.271 -11.951 1.00 0.00 C ATOM 852 NH1 ARG A 347 11.135 4.597 -11.519 1.00 0.00 N ATOM 853 NH2 ARG A 347 10.084 5.871 -13.149 1.00 0.00 N ATOM 0 H ARG A 347 6.989 1.015 -10.114 1.00 0.00 H new ATOM 0 HA ARG A 347 9.510 0.831 -9.176 1.00 0.00 H new ATOM 0 HB2 ARG A 347 7.287 2.767 -8.438 1.00 0.00 H new ATOM 0 HB3 ARG A 347 8.928 2.983 -7.861 1.00 0.00 H new ATOM 0 HG2 ARG A 347 9.659 2.785 -10.348 1.00 0.00 H new ATOM 0 HG3 ARG A 347 7.963 2.962 -10.750 1.00 0.00 H new ATOM 0 HD2 ARG A 347 7.964 5.114 -9.335 1.00 0.00 H new ATOM 0 HD3 ARG A 347 9.708 4.962 -9.243 1.00 0.00 H new ATOM 0 HE ARG A 347 8.164 5.867 -11.545 1.00 0.00 H new ATOM 0 HH11 ARG A 347 11.118 4.140 -10.607 1.00 0.00 H new ATOM 0 HH12 ARG A 347 11.970 4.541 -12.102 1.00 0.00 H new ATOM 0 HH21 ARG A 347 9.267 6.384 -13.479 1.00 0.00 H new ATOM 0 HH22 ARG A 347 10.920 5.814 -13.731 1.00 0.00 H new ATOM 867 N MET A 348 7.331 0.217 -6.797 1.00 0.00 N ATOM 868 CA MET A 348 7.168 -0.313 -5.454 1.00 0.00 C ATOM 869 C MET A 348 6.498 -1.689 -5.486 1.00 0.00 C ATOM 870 O MET A 348 5.620 -1.937 -6.311 1.00 0.00 O ATOM 871 CB MET A 348 6.317 0.650 -4.624 1.00 0.00 C ATOM 872 CG MET A 348 6.437 0.340 -3.131 1.00 0.00 C ATOM 873 SD MET A 348 5.635 1.617 -2.176 1.00 0.00 S ATOM 874 CE MET A 348 3.938 1.077 -2.298 1.00 0.00 C ATOM 0 H MET A 348 6.460 0.359 -7.308 1.00 0.00 H new ATOM 0 HA MET A 348 8.155 -0.420 -5.003 1.00 0.00 H new ATOM 0 HB2 MET A 348 6.634 1.676 -4.813 1.00 0.00 H new ATOM 0 HB3 MET A 348 5.274 0.577 -4.932 1.00 0.00 H new ATOM 0 HG2 MET A 348 5.983 -0.627 -2.914 1.00 0.00 H new ATOM 0 HG3 MET A 348 7.488 0.269 -2.849 1.00 0.00 H new ATOM 0 HE1 MET A 348 3.417 1.301 -1.367 1.00 0.00 H new ATOM 0 HE2 MET A 348 3.449 1.597 -3.121 1.00 0.00 H new ATOM 0 HE3 MET A 348 3.910 0.003 -2.480 1.00 0.00 H new ATOM 884 N ASN A 349 6.938 -2.546 -4.577 1.00 0.00 N ATOM 885 CA ASN A 349 6.392 -3.890 -4.490 1.00 0.00 C ATOM 886 C ASN A 349 5.484 -3.989 -3.263 1.00 0.00 C ATOM 887 O ASN A 349 5.857 -3.556 -2.174 1.00 0.00 O ATOM 888 CB ASN A 349 7.506 -4.928 -4.339 1.00 0.00 C ATOM 889 CG ASN A 349 7.289 -6.108 -5.289 1.00 0.00 C ATOM 890 OD1 ASN A 349 6.283 -6.797 -5.245 1.00 0.00 O ATOM 891 ND2 ASN A 349 8.286 -6.302 -6.147 1.00 0.00 N ATOM 0 H ASN A 349 7.666 -2.336 -3.894 1.00 0.00 H new ATOM 0 HA ASN A 349 5.836 -4.088 -5.406 1.00 0.00 H new ATOM 0 HB2 ASN A 349 8.471 -4.464 -4.544 1.00 0.00 H new ATOM 0 HB3 ASN A 349 7.537 -5.286 -3.310 1.00 0.00 H new ATOM 0 HD21 ASN A 349 8.237 -7.065 -6.822 1.00 0.00 H new ATOM 0 HD22 ASN A 349 9.100 -5.688 -6.130 1.00 0.00 H new ATOM 898 N GLY A 350 4.309 -4.561 -3.481 1.00 0.00 N ATOM 899 CA GLY A 350 3.344 -4.722 -2.406 1.00 0.00 C ATOM 900 C GLY A 350 1.948 -4.285 -2.853 1.00 0.00 C ATOM 901 O GLY A 350 1.698 -4.116 -4.045 1.00 0.00 O ATOM 0 H GLY A 350 4.003 -4.919 -4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 350 3.318 -5.764 -2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 350 3.654 -4.133 -1.543 1.00 0.00 H new ATOM 905 N PHE A 351 1.074 -4.115 -1.872 1.00 0.00 N ATOM 906 CA PHE A 351 -0.291 -3.701 -2.149 1.00 0.00 C ATOM 907 C PHE A 351 -0.831 -2.806 -1.031 1.00 0.00 C ATOM 908 O PHE A 351 -0.278 -2.778 0.068 1.00 0.00 O ATOM 909 CB PHE A 351 -1.138 -4.973 -2.221 1.00 0.00 C ATOM 910 CG PHE A 351 -1.465 -5.582 -0.856 1.00 0.00 C ATOM 911 CD1 PHE A 351 -0.584 -6.430 -0.262 1.00 0.00 C ATOM 912 CD2 PHE A 351 -2.637 -5.274 -0.237 1.00 0.00 C ATOM 913 CE1 PHE A 351 -0.888 -6.995 1.006 1.00 0.00 C ATOM 914 CE2 PHE A 351 -2.940 -5.839 1.030 1.00 0.00 C ATOM 915 CZ PHE A 351 -2.059 -6.687 1.624 1.00 0.00 C ATOM 0 H PHE A 351 1.285 -4.256 -0.884 1.00 0.00 H new ATOM 0 HA PHE A 351 -0.326 -3.135 -3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 351 -2.070 -4.748 -2.739 1.00 0.00 H new ATOM 0 HB3 PHE A 351 -0.611 -5.715 -2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 351 0.346 -6.674 -0.753 1.00 0.00 H new ATOM 0 HD2 PHE A 351 -3.336 -4.600 -0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 351 -0.189 -7.669 1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 351 -3.870 -5.595 1.522 1.00 0.00 H new ATOM 0 HZ PHE A 351 -2.290 -7.116 2.588 1.00 0.00 H new ATOM 925 N ILE A 352 -1.903 -2.097 -1.350 1.00 0.00 N ATOM 926 CA ILE A 352 -2.523 -1.203 -0.386 1.00 0.00 C ATOM 927 C ILE A 352 -3.761 -1.880 0.207 1.00 0.00 C ATOM 928 O ILE A 352 -4.710 -2.186 -0.513 1.00 0.00 O ATOM 929 CB ILE A 352 -2.812 0.157 -1.025 1.00 0.00 C ATOM 930 CG1 ILE A 352 -1.513 0.889 -1.367 1.00 0.00 C ATOM 931 CG2 ILE A 352 -3.726 0.998 -0.132 1.00 0.00 C ATOM 932 CD1 ILE A 352 -1.797 2.307 -1.865 1.00 0.00 C ATOM 0 H ILE A 352 -2.359 -2.123 -2.262 1.00 0.00 H new ATOM 0 HA ILE A 352 -1.842 -1.002 0.441 1.00 0.00 H new ATOM 0 HB ILE A 352 -3.343 -0.011 -1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 352 -0.872 0.931 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 352 -0.969 0.334 -2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 352 -3.916 1.960 -0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 352 -4.670 0.474 0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 352 -3.244 1.160 0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 352 -0.857 2.805 -2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 352 -2.418 2.261 -2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 352 -2.320 2.867 -1.090 1.00 0.00 H new ATOM 944 N ASP A 353 -3.711 -2.093 1.513 1.00 0.00 N ATOM 945 CA ASP A 353 -4.816 -2.727 2.211 1.00 0.00 C ATOM 946 C ASP A 353 -5.904 -1.687 2.487 1.00 0.00 C ATOM 947 O ASP A 353 -5.719 -0.795 3.314 1.00 0.00 O ATOM 948 CB ASP A 353 -4.362 -3.304 3.553 1.00 0.00 C ATOM 949 CG ASP A 353 -5.444 -4.052 4.335 1.00 0.00 C ATOM 950 OD1 ASP A 353 -6.575 -4.128 3.808 1.00 0.00 O ATOM 951 OD2 ASP A 353 -5.116 -4.529 5.443 1.00 0.00 O ATOM 0 H ASP A 353 -2.922 -1.838 2.107 1.00 0.00 H new ATOM 0 HA ASP A 353 -5.194 -3.533 1.582 1.00 0.00 H new ATOM 0 HB2 ASP A 353 -3.528 -3.983 3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 353 -3.984 -2.490 4.172 1.00 0.00 H new ATOM 956 N GLN A 354 -7.014 -1.836 1.779 1.00 0.00 N ATOM 957 CA GLN A 354 -8.131 -0.920 1.938 1.00 0.00 C ATOM 958 C GLN A 354 -9.052 -1.396 3.063 1.00 0.00 C ATOM 959 O GLN A 354 -9.884 -0.634 3.554 1.00 0.00 O ATOM 960 CB GLN A 354 -8.903 -0.765 0.626 1.00 0.00 C ATOM 961 CG GLN A 354 -8.092 0.032 -0.397 1.00 0.00 C ATOM 962 CD GLN A 354 -8.987 1.003 -1.170 1.00 0.00 C ATOM 963 OE1 GLN A 354 -10.198 0.865 -1.220 1.00 0.00 O ATOM 964 NE2 GLN A 354 -8.325 1.989 -1.769 1.00 0.00 N ATOM 0 H GLN A 354 -7.164 -2.577 1.094 1.00 0.00 H new ATOM 0 HA GLN A 354 -7.737 0.060 2.208 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -9.140 -1.749 0.221 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -9.851 -0.262 0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 354 -7.303 0.586 0.111 1.00 0.00 H new ATOM 0 HG3 GLN A 354 -7.605 -0.652 -1.093 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -7.310 2.046 -1.686 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -8.832 2.689 -2.311 1.00 0.00 H new ATOM 973 N ILE A 355 -8.872 -2.654 3.440 1.00 0.00 N ATOM 974 CA ILE A 355 -9.676 -3.240 4.499 1.00 0.00 C ATOM 975 C ILE A 355 -9.293 -2.603 5.836 1.00 0.00 C ATOM 976 O ILE A 355 -10.157 -2.341 6.672 1.00 0.00 O ATOM 977 CB ILE A 355 -9.550 -4.765 4.485 1.00 0.00 C ATOM 978 CG1 ILE A 355 -9.939 -5.335 3.120 1.00 0.00 C ATOM 979 CG2 ILE A 355 -10.361 -5.392 5.621 1.00 0.00 C ATOM 980 CD1 ILE A 355 -9.158 -6.615 2.817 1.00 0.00 C ATOM 0 H ILE A 355 -8.181 -3.283 3.031 1.00 0.00 H new ATOM 0 HA ILE A 355 -10.733 -3.029 4.337 1.00 0.00 H new ATOM 0 HB ILE A 355 -8.505 -5.023 4.655 1.00 0.00 H new ATOM 0 HG12 ILE A 355 -11.009 -5.544 3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 355 -9.745 -4.594 2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 355 -10.255 -6.476 5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 355 -9.995 -5.020 6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 355 -11.412 -5.127 5.507 1.00 0.00 H new ATOM 0 HD11 ILE A 355 -9.454 -6.999 1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 355 -8.090 -6.397 2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 355 -9.373 -7.362 3.581 1.00 0.00 H new ATOM 992 N ASP A 356 -7.998 -2.374 5.997 1.00 0.00 N ATOM 993 CA ASP A 356 -7.491 -1.773 7.219 1.00 0.00 C ATOM 994 C ASP A 356 -7.036 -0.341 6.927 1.00 0.00 C ATOM 995 O ASP A 356 -6.822 0.446 7.848 1.00 0.00 O ATOM 996 CB ASP A 356 -6.289 -2.551 7.757 1.00 0.00 C ATOM 997 CG ASP A 356 -6.638 -3.802 8.565 1.00 0.00 C ATOM 998 OD1 ASP A 356 -7.410 -4.627 8.029 1.00 0.00 O ATOM 999 OD2 ASP A 356 -6.124 -3.907 9.700 1.00 0.00 O ATOM 0 H ASP A 356 -7.285 -2.594 5.302 1.00 0.00 H new ATOM 0 HA ASP A 356 -8.291 -1.787 7.960 1.00 0.00 H new ATOM 0 HB2 ASP A 356 -5.659 -2.843 6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 356 -5.696 -1.886 8.384 1.00 0.00 H new ATOM 1004 N GLY A 357 -6.901 -0.047 5.642 1.00 0.00 N ATOM 1005 CA GLY A 357 -6.475 1.275 5.218 1.00 0.00 C ATOM 1006 C GLY A 357 -4.998 1.506 5.541 1.00 0.00 C ATOM 1007 O GLY A 357 -4.586 2.633 5.811 1.00 0.00 O ATOM 0 H GLY A 357 -7.079 -0.702 4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 357 -6.638 1.387 4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 357 -7.082 2.033 5.714 1.00 0.00 H new ATOM 1011 N ILE A 358 -4.240 0.419 5.503 1.00 0.00 N ATOM 1012 CA ILE A 358 -2.817 0.488 5.789 1.00 0.00 C ATOM 1013 C ILE A 358 -2.031 0.103 4.534 1.00 0.00 C ATOM 1014 O ILE A 358 -2.486 -0.718 3.740 1.00 0.00 O ATOM 1015 CB ILE A 358 -2.475 -0.361 7.014 1.00 0.00 C ATOM 1016 CG1 ILE A 358 -3.343 0.030 8.212 1.00 0.00 C ATOM 1017 CG2 ILE A 358 -0.981 -0.280 7.338 1.00 0.00 C ATOM 1018 CD1 ILE A 358 -3.404 -1.104 9.238 1.00 0.00 C ATOM 0 H ILE A 358 -4.585 -0.514 5.278 1.00 0.00 H new ATOM 0 HA ILE A 358 -2.528 1.507 6.047 1.00 0.00 H new ATOM 0 HB ILE A 358 -2.698 -1.402 6.781 1.00 0.00 H new ATOM 0 HG12 ILE A 358 -2.940 0.928 8.680 1.00 0.00 H new ATOM 0 HG13 ILE A 358 -4.350 0.273 7.872 1.00 0.00 H new ATOM 0 HG21 ILE A 358 -0.765 -0.893 8.213 1.00 0.00 H new ATOM 0 HG22 ILE A 358 -0.404 -0.645 6.488 1.00 0.00 H new ATOM 0 HG23 ILE A 358 -0.709 0.755 7.544 1.00 0.00 H new ATOM 0 HD11 ILE A 358 -4.027 -0.800 10.079 1.00 0.00 H new ATOM 0 HD12 ILE A 358 -3.830 -1.993 8.773 1.00 0.00 H new ATOM 0 HD13 ILE A 358 -2.398 -1.328 9.594 1.00 0.00 H new ATOM 1030 N VAL A 359 -0.863 0.715 4.396 1.00 0.00 N ATOM 1031 CA VAL A 359 -0.009 0.446 3.251 1.00 0.00 C ATOM 1032 C VAL A 359 0.925 -0.720 3.580 1.00 0.00 C ATOM 1033 O VAL A 359 1.642 -0.683 4.579 1.00 0.00 O ATOM 1034 CB VAL A 359 0.741 1.718 2.849 1.00 0.00 C ATOM 1035 CG1 VAL A 359 1.815 1.412 1.803 1.00 0.00 C ATOM 1036 CG2 VAL A 359 -0.228 2.789 2.343 1.00 0.00 C ATOM 0 H VAL A 359 -0.489 1.395 5.057 1.00 0.00 H new ATOM 0 HA VAL A 359 -0.607 0.150 2.389 1.00 0.00 H new ATOM 0 HB VAL A 359 1.239 2.109 3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 359 2.334 2.332 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 359 2.530 0.699 2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 359 1.347 0.986 0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 359 0.331 3.682 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 359 -0.766 2.411 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 359 -0.940 3.037 3.131 1.00 0.00 H new ATOM 1046 N HIS A 360 0.887 -1.728 2.721 1.00 0.00 N ATOM 1047 CA HIS A 360 1.721 -2.902 2.908 1.00 0.00 C ATOM 1048 C HIS A 360 3.031 -2.730 2.136 1.00 0.00 C ATOM 1049 O HIS A 360 3.036 -2.738 0.906 1.00 0.00 O ATOM 1050 CB HIS A 360 0.965 -4.173 2.516 1.00 0.00 C ATOM 1051 CG HIS A 360 0.533 -5.018 3.690 1.00 0.00 C ATOM 1052 ND1 HIS A 360 1.214 -6.157 4.085 1.00 0.00 N ATOM 1053 CD2 HIS A 360 -0.515 -4.878 4.551 1.00 0.00 C ATOM 1054 CE1 HIS A 360 0.594 -6.671 5.137 1.00 0.00 C ATOM 1055 NE2 HIS A 360 -0.478 -5.878 5.424 1.00 0.00 N ATOM 0 H HIS A 360 0.291 -1.755 1.894 1.00 0.00 H new ATOM 0 HA HIS A 360 1.973 -3.009 3.963 1.00 0.00 H new ATOM 0 HB2 HIS A 360 0.084 -3.895 1.938 1.00 0.00 H new ATOM 0 HB3 HIS A 360 1.599 -4.773 1.863 1.00 0.00 H new ATOM 0 HD2 HIS A 360 -1.251 -4.088 4.527 1.00 0.00 H new ATOM 0 HE1 HIS A 360 0.886 -7.562 5.673 1.00 0.00 H new ATOM 0 HE2 HIS A 360 -1.142 -6.028 6.184 1.00 0.00 H new ATOM 1063 N PHE A 361 4.109 -2.577 2.890 1.00 0.00 N ATOM 1064 CA PHE A 361 5.422 -2.403 2.293 1.00 0.00 C ATOM 1065 C PHE A 361 6.186 -3.728 2.251 1.00 0.00 C ATOM 1066 O PHE A 361 5.963 -4.604 3.085 1.00 0.00 O ATOM 1067 CB PHE A 361 6.187 -1.415 3.175 1.00 0.00 C ATOM 1068 CG PHE A 361 6.003 0.050 2.773 1.00 0.00 C ATOM 1069 CD1 PHE A 361 6.407 0.475 1.546 1.00 0.00 C ATOM 1070 CD2 PHE A 361 5.435 0.928 3.643 1.00 0.00 C ATOM 1071 CE1 PHE A 361 6.236 1.834 1.173 1.00 0.00 C ATOM 1072 CE2 PHE A 361 5.263 2.287 3.270 1.00 0.00 C ATOM 1073 CZ PHE A 361 5.667 2.711 2.043 1.00 0.00 C ATOM 0 H PHE A 361 4.100 -2.570 3.910 1.00 0.00 H new ATOM 0 HA PHE A 361 5.320 -2.041 1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 361 5.864 -1.541 4.208 1.00 0.00 H new ATOM 0 HB3 PHE A 361 7.249 -1.660 3.141 1.00 0.00 H new ATOM 0 HD1 PHE A 361 6.858 -0.222 0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 361 5.115 0.591 4.618 1.00 0.00 H new ATOM 0 HE1 PHE A 361 6.558 2.171 0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 361 4.811 2.984 3.961 1.00 0.00 H new ATOM 0 HZ PHE A 361 5.536 3.745 1.759 1.00 0.00 H new ATOM 1083 N GLU A 362 7.071 -3.833 1.271 1.00 0.00 N ATOM 1084 CA GLU A 362 7.869 -5.037 1.109 1.00 0.00 C ATOM 1085 C GLU A 362 9.324 -4.765 1.496 1.00 0.00 C ATOM 1086 O GLU A 362 9.830 -3.664 1.287 1.00 0.00 O ATOM 1087 CB GLU A 362 7.773 -5.571 -0.321 1.00 0.00 C ATOM 1088 CG GLU A 362 8.981 -6.445 -0.663 1.00 0.00 C ATOM 1089 CD GLU A 362 9.000 -7.713 0.194 1.00 0.00 C ATOM 1090 OE1 GLU A 362 8.389 -7.670 1.284 1.00 0.00 O ATOM 1091 OE2 GLU A 362 9.625 -8.695 -0.260 1.00 0.00 O ATOM 0 H GLU A 362 7.253 -3.104 0.581 1.00 0.00 H new ATOM 0 HA GLU A 362 7.473 -5.804 1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 362 6.857 -6.150 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 362 7.713 -4.737 -1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 362 8.952 -6.715 -1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 362 9.900 -5.880 -0.504 1.00 0.00 H new