USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 489 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 301 THR OG1 : rot 55:sc= 0.47 USER MOD Set 1.2: A 303 ASN :FLIP amide:sc= 0.359 F(o=-2.6!,f=0.83) USER MOD Set 2.1: A 290 CYS SG : rot -5:sc= 0.283 USER MOD Set 2.2: A 362 ASN : amide:sc= 0.804 K(o=1.1,f=0.21) USER MOD Set 3.1: A 289 HIS : no HE2:sc= -2.14! C(o=-0.62!,f=-3!) USER MOD Set 3.2: A 338 HIS : no HD1:sc= 0.312 K(o=-0.62,f=-4.2) USER MOD Set 3.3: A 363 SER OG : rot -101:sc= 1.21 USER MOD Single : A 292 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 293 MET CE :methyl -179:sc= -1.41 (180deg=-1.45) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.177 K(o=0.18,f=-0.46) USER MOD Single : A 310 SER OG : rot 58:sc= 1.28 USER MOD Single : A 313 ASN : amide:sc= 1.07 K(o=1.1,f=-0.023) USER MOD Single : A 318 HIS : no HE2:sc= 0.123 K(o=0.12,f=-3.2!) USER MOD Single : A 337 THR OG1 : rot -12:sc= 1.11 USER MOD Single : A 345 MET CE :methyl -170:sc= -2.41 (180deg=-2.83!) USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 LYS NZ :NH3+ -165:sc= 0.619 (180deg=0.346) USER MOD Single : A 351 ASN : amide:sc= -0.0327 K(o=-0.033,f=-4!) USER MOD Single : A 352 MET CE :methyl 171:sc= 0 (180deg=-0.0893) USER MOD Single : A 353 GLN : amide:sc= 0.259 K(o=0.26,f=-4.2!) USER MOD Single : A 354 HIS : no HE2:sc= 0.316 K(o=0.32,f=-3.2!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 THR OG1 : rot -46:sc= 0.347 USER MOD Single : A 365 THR OG1 : rot -43:sc= 0.453 USER MOD ----------------------------------------------------------------- ATOM 159 N HIS A 289 -4.697 5.103 -6.078 1.00 0.00 N ATOM 160 CA HIS A 289 -3.244 5.047 -6.089 1.00 0.00 C ATOM 161 C HIS A 289 -2.809 3.975 -5.095 1.00 0.00 C ATOM 162 O HIS A 289 -3.474 3.801 -4.078 1.00 0.00 O ATOM 163 CB HIS A 289 -2.726 6.431 -5.696 1.00 0.00 C ATOM 164 CG HIS A 289 -3.092 7.480 -6.711 1.00 0.00 C ATOM 165 ND1 HIS A 289 -2.281 7.975 -7.705 1.00 0.00 N ATOM 166 CD2 HIS A 289 -4.297 8.120 -6.818 1.00 0.00 C ATOM 167 CE1 HIS A 289 -2.986 8.890 -8.392 1.00 0.00 C ATOM 168 NE2 HIS A 289 -4.226 9.019 -7.887 1.00 0.00 N ATOM 0 HA HIS A 289 -2.843 4.789 -7.069 1.00 0.00 H new ATOM 0 HB2 HIS A 289 -3.135 6.709 -4.724 1.00 0.00 H new ATOM 0 HB3 HIS A 289 -1.642 6.395 -5.587 1.00 0.00 H new ATOM 0 HD1 HIS A 289 -1.317 7.697 -7.888 1.00 0.00 H new ATOM 0 HD2 HIS A 289 -5.157 7.958 -6.185 1.00 0.00 H new ATOM 0 HE1 HIS A 289 -2.608 9.447 -9.236 1.00 0.00 H new ATOM 176 N CYS A 290 -1.715 3.249 -5.353 1.00 0.00 N ATOM 177 CA CYS A 290 -1.417 2.095 -4.517 1.00 0.00 C ATOM 178 C CYS A 290 0.069 1.910 -4.229 1.00 0.00 C ATOM 179 O CYS A 290 0.924 2.570 -4.815 1.00 0.00 O ATOM 180 CB CYS A 290 -2.012 0.847 -5.176 1.00 0.00 C ATOM 181 SG CYS A 290 -1.330 0.633 -6.840 1.00 0.00 S ATOM 0 H CYS A 290 -1.049 3.434 -6.104 1.00 0.00 H new ATOM 0 HA CYS A 290 -1.873 2.267 -3.542 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.794 -0.032 -4.570 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -3.097 0.937 -5.229 1.00 0.00 H new ATOM 0 HG CYS A 290 -0.569 1.646 -7.131 1.00 0.00 H new ATOM 187 N VAL A 291 0.347 0.985 -3.305 1.00 0.00 N ATOM 188 CA VAL A 291 1.678 0.640 -2.829 1.00 0.00 C ATOM 189 C VAL A 291 1.623 -0.798 -2.314 1.00 0.00 C ATOM 190 O VAL A 291 0.595 -1.221 -1.789 1.00 0.00 O ATOM 191 CB VAL A 291 2.050 1.595 -1.685 1.00 0.00 C ATOM 192 CG1 VAL A 291 3.378 1.236 -1.027 1.00 0.00 C ATOM 193 CG2 VAL A 291 2.166 3.034 -2.187 1.00 0.00 C ATOM 0 H VAL A 291 -0.385 0.437 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 291 2.422 0.726 -3.621 1.00 0.00 H new ATOM 0 HB VAL A 291 1.247 1.499 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 291 3.590 1.944 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.319 0.229 -0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.175 1.278 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 291 2.430 3.689 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 291 2.939 3.091 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.212 3.350 -2.609 1.00 0.00 H new ATOM 203 N HIS A 292 2.713 -1.554 -2.457 1.00 0.00 N ATOM 204 CA HIS A 292 2.764 -2.930 -1.974 1.00 0.00 C ATOM 205 C HIS A 292 3.358 -2.970 -0.569 1.00 0.00 C ATOM 206 O HIS A 292 4.024 -2.021 -0.160 1.00 0.00 O ATOM 207 CB HIS A 292 3.618 -3.765 -2.928 1.00 0.00 C ATOM 208 CG HIS A 292 3.089 -3.768 -4.338 1.00 0.00 C ATOM 209 ND1 HIS A 292 3.699 -3.217 -5.441 1.00 0.00 N ATOM 210 CD2 HIS A 292 1.911 -4.320 -4.761 1.00 0.00 C ATOM 211 CE1 HIS A 292 2.904 -3.435 -6.502 1.00 0.00 C ATOM 212 NE2 HIS A 292 1.797 -4.105 -6.141 1.00 0.00 N ATOM 0 H HIS A 292 3.572 -1.234 -2.904 1.00 0.00 H new ATOM 0 HA HIS A 292 1.755 -3.340 -1.936 1.00 0.00 H new ATOM 0 HB2 HIS A 292 4.637 -3.378 -2.928 1.00 0.00 H new ATOM 0 HB3 HIS A 292 3.666 -4.790 -2.561 1.00 0.00 H new ATOM 0 HD2 HIS A 292 1.193 -4.833 -4.139 1.00 0.00 H new ATOM 0 HE1 HIS A 292 3.125 -3.115 -7.509 1.00 0.00 H new ATOM 0 HE2 HIS A 292 1.031 -4.397 -6.747 1.00 0.00 H new ATOM 220 N MET A 293 3.127 -4.059 0.174 1.00 0.00 N ATOM 221 CA MET A 293 3.692 -4.231 1.507 1.00 0.00 C ATOM 222 C MET A 293 3.791 -5.713 1.853 1.00 0.00 C ATOM 223 O MET A 293 2.895 -6.492 1.535 1.00 0.00 O ATOM 224 CB MET A 293 2.806 -3.509 2.525 1.00 0.00 C ATOM 225 CG MET A 293 3.225 -3.800 3.964 1.00 0.00 C ATOM 226 SD MET A 293 2.177 -2.960 5.171 1.00 0.00 S ATOM 227 CE MET A 293 3.017 -3.462 6.690 1.00 0.00 C ATOM 0 H MET A 293 2.546 -4.839 -0.134 1.00 0.00 H new ATOM 0 HA MET A 293 4.695 -3.806 1.532 1.00 0.00 H new ATOM 0 HB2 MET A 293 2.851 -2.435 2.346 1.00 0.00 H new ATOM 0 HB3 MET A 293 1.769 -3.813 2.382 1.00 0.00 H new ATOM 0 HG2 MET A 293 3.187 -4.875 4.140 1.00 0.00 H new ATOM 0 HG3 MET A 293 4.260 -3.490 4.108 1.00 0.00 H new ATOM 0 HE1 MET A 293 2.492 -3.046 7.550 1.00 0.00 H new ATOM 0 HE2 MET A 293 3.023 -4.550 6.760 1.00 0.00 H new ATOM 0 HE3 MET A 293 4.043 -3.093 6.677 1.00 0.00 H new ATOM 237 N ARG A 294 4.887 -6.107 2.507 1.00 0.00 N ATOM 238 CA ARG A 294 5.133 -7.500 2.865 1.00 0.00 C ATOM 239 C ARG A 294 5.927 -7.582 4.167 1.00 0.00 C ATOM 240 O ARG A 294 6.213 -6.563 4.792 1.00 0.00 O ATOM 241 CB ARG A 294 5.885 -8.204 1.731 1.00 0.00 C ATOM 242 CG ARG A 294 5.096 -8.160 0.421 1.00 0.00 C ATOM 243 CD ARG A 294 5.801 -8.964 -0.667 1.00 0.00 C ATOM 244 NE ARG A 294 7.095 -8.376 -1.018 1.00 0.00 N ATOM 245 CZ ARG A 294 7.770 -8.678 -2.127 1.00 0.00 C ATOM 246 NH1 ARG A 294 7.296 -9.576 -2.990 1.00 0.00 N ATOM 247 NH2 ARG A 294 8.930 -8.074 -2.370 1.00 0.00 N ATOM 0 H ARG A 294 5.626 -5.468 2.801 1.00 0.00 H new ATOM 0 HA ARG A 294 4.177 -8.001 3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 294 6.856 -7.730 1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 294 6.074 -9.241 2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 294 4.094 -8.559 0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 294 4.979 -7.126 0.097 1.00 0.00 H new ATOM 0 HD2 ARG A 294 5.947 -9.989 -0.326 1.00 0.00 H new ATOM 0 HD3 ARG A 294 5.169 -9.010 -1.554 1.00 0.00 H new ATOM 0 HE ARG A 294 7.504 -7.696 -0.377 1.00 0.00 H new ATOM 0 HH11 ARG A 294 6.407 -10.041 -2.805 1.00 0.00 H new ATOM 0 HH12 ARG A 294 7.822 -9.798 -3.835 1.00 0.00 H new ATOM 0 HH21 ARG A 294 9.295 -7.387 -1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 294 9.454 -8.298 -3.216 1.00 0.00 H new ATOM 261 N GLY A 295 6.282 -8.803 4.574 1.00 0.00 N ATOM 262 CA GLY A 295 6.955 -9.052 5.840 1.00 0.00 C ATOM 263 C GLY A 295 5.979 -9.063 7.012 1.00 0.00 C ATOM 264 O GLY A 295 6.400 -9.221 8.156 1.00 0.00 O ATOM 0 H GLY A 295 6.108 -9.647 4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 295 7.475 -10.009 5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 295 7.712 -8.285 6.005 1.00 0.00 H new ATOM 268 N LEU A 296 4.679 -8.898 6.741 1.00 0.00 N ATOM 269 CA LEU A 296 3.687 -8.735 7.786 1.00 0.00 C ATOM 270 C LEU A 296 2.847 -9.996 8.044 1.00 0.00 C ATOM 271 O LEU A 296 2.932 -10.520 9.149 1.00 0.00 O ATOM 272 CB LEU A 296 2.866 -7.496 7.400 1.00 0.00 C ATOM 273 CG LEU A 296 1.877 -6.951 8.430 1.00 0.00 C ATOM 274 CD1 LEU A 296 0.580 -7.756 8.501 1.00 0.00 C ATOM 275 CD2 LEU A 296 2.499 -6.861 9.819 1.00 0.00 C ATOM 0 H LEU A 296 4.297 -8.875 5.796 1.00 0.00 H new ATOM 0 HA LEU A 296 4.165 -8.583 8.754 1.00 0.00 H new ATOM 0 HB2 LEU A 296 3.563 -6.697 7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 296 2.310 -7.731 6.493 1.00 0.00 H new ATOM 0 HG LEU A 296 1.626 -5.948 8.085 1.00 0.00 H new ATOM 0 HD11 LEU A 296 -0.079 -7.318 9.250 1.00 0.00 H new ATOM 0 HD12 LEU A 296 0.087 -7.738 7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 296 0.806 -8.787 8.774 1.00 0.00 H new ATOM 0 HD21 LEU A 296 1.764 -6.469 10.522 1.00 0.00 H new ATOM 0 HD22 LEU A 296 2.816 -7.853 10.141 1.00 0.00 H new ATOM 0 HD23 LEU A 296 3.362 -6.196 9.789 1.00 0.00 H new ATOM 344 N ALA A 300 0.261 -10.444 12.039 1.00 0.00 N ATOM 345 CA ALA A 300 -0.683 -9.345 12.143 1.00 0.00 C ATOM 346 C ALA A 300 -1.502 -9.243 10.858 1.00 0.00 C ATOM 347 O ALA A 300 -1.342 -10.061 9.952 1.00 0.00 O ATOM 348 CB ALA A 300 0.087 -8.049 12.401 1.00 0.00 C ATOM 0 HA ALA A 300 -1.370 -9.520 12.971 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -0.615 -7.219 12.480 1.00 0.00 H new ATOM 0 HB2 ALA A 300 0.650 -8.139 13.330 1.00 0.00 H new ATOM 0 HB3 ALA A 300 0.776 -7.865 11.576 1.00 0.00 H new ATOM 354 N THR A 301 -2.378 -8.239 10.781 1.00 0.00 N ATOM 355 CA THR A 301 -3.251 -8.047 9.632 1.00 0.00 C ATOM 356 C THR A 301 -3.482 -6.573 9.349 1.00 0.00 C ATOM 357 O THR A 301 -2.971 -5.696 10.043 1.00 0.00 O ATOM 358 CB THR A 301 -4.612 -8.721 9.857 1.00 0.00 C ATOM 359 OG1 THR A 301 -4.924 -8.792 11.230 1.00 0.00 O ATOM 360 CG2 THR A 301 -4.602 -10.125 9.268 1.00 0.00 C ATOM 0 H THR A 301 -2.498 -7.540 11.514 1.00 0.00 H new ATOM 0 HA THR A 301 -2.751 -8.503 8.778 1.00 0.00 H new ATOM 0 HB THR A 301 -5.371 -8.118 9.359 1.00 0.00 H new ATOM 0 HG1 THR A 301 -4.870 -7.897 11.624 1.00 0.00 H new ATOM 0 HG21 THR A 301 -5.571 -10.595 9.432 1.00 0.00 H new ATOM 0 HG22 THR A 301 -4.402 -10.069 8.198 1.00 0.00 H new ATOM 0 HG23 THR A 301 -3.825 -10.717 9.752 1.00 0.00 H new ATOM 368 N GLU A 302 -4.272 -6.322 8.306 1.00 0.00 N ATOM 369 CA GLU A 302 -4.631 -4.992 7.850 1.00 0.00 C ATOM 370 C GLU A 302 -5.059 -4.068 8.989 1.00 0.00 C ATOM 371 O GLU A 302 -4.830 -2.863 8.914 1.00 0.00 O ATOM 372 CB GLU A 302 -5.738 -5.120 6.808 1.00 0.00 C ATOM 373 CG GLU A 302 -7.107 -5.339 7.451 1.00 0.00 C ATOM 374 CD GLU A 302 -8.135 -5.799 6.420 1.00 0.00 C ATOM 375 OE1 GLU A 302 -8.687 -4.922 5.718 1.00 0.00 O ATOM 376 OE2 GLU A 302 -8.364 -7.027 6.341 1.00 0.00 O ATOM 0 H GLU A 302 -4.689 -7.064 7.743 1.00 0.00 H new ATOM 0 HA GLU A 302 -3.747 -4.531 7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -5.765 -4.219 6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -5.513 -5.952 6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -7.025 -6.083 8.243 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -7.445 -4.413 7.917 1.00 0.00 H new ATOM 383 N ASN A 303 -5.676 -4.628 10.036 1.00 0.00 N ATOM 384 CA ASN A 303 -6.160 -3.867 11.180 1.00 0.00 C ATOM 385 C ASN A 303 -5.056 -3.081 11.889 1.00 0.00 C ATOM 386 O ASN A 303 -5.354 -2.239 12.734 1.00 0.00 O ATOM 387 CB ASN A 303 -6.875 -4.803 12.156 1.00 0.00 C ATOM 388 CG ASN A 303 -5.877 -5.556 13.016 1.00 0.00 C ATOM 389 OD1 ASN A 303 -4.802 -6.024 12.395 1.00 0.00 O flip ATOM 390 ND2 ASN A 303 -6.066 -5.713 14.219 1.00 0.00 N flip ATOM 0 H ASN A 303 -5.852 -5.630 10.108 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.862 -3.124 10.801 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -7.547 -4.227 12.792 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -7.490 -5.512 11.602 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -6.907 -5.336 14.657 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -5.382 -6.220 14.781 1.00 0.00 H new ATOM 397 N ASP A 304 -3.789 -3.345 11.555 1.00 0.00 N ATOM 398 CA ASP A 304 -2.675 -2.591 12.104 1.00 0.00 C ATOM 399 C ASP A 304 -1.749 -2.066 11.013 1.00 0.00 C ATOM 400 O ASP A 304 -0.879 -1.240 11.284 1.00 0.00 O ATOM 401 CB ASP A 304 -1.926 -3.469 13.106 1.00 0.00 C ATOM 402 CG ASP A 304 -1.076 -2.643 14.071 1.00 0.00 C ATOM 403 OD1 ASP A 304 -1.579 -1.601 14.546 1.00 0.00 O ATOM 404 OD2 ASP A 304 0.076 -3.063 14.327 1.00 0.00 O ATOM 0 H ASP A 304 -3.516 -4.081 10.903 1.00 0.00 H new ATOM 0 HA ASP A 304 -3.063 -1.712 12.618 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -2.642 -4.064 13.673 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -1.286 -4.168 12.568 1.00 0.00 H new ATOM 409 N ILE A 305 -1.925 -2.537 9.778 1.00 0.00 N ATOM 410 CA ILE A 305 -1.166 -2.025 8.650 1.00 0.00 C ATOM 411 C ILE A 305 -1.504 -0.559 8.414 1.00 0.00 C ATOM 412 O ILE A 305 -0.603 0.269 8.279 1.00 0.00 O ATOM 413 CB ILE A 305 -1.518 -2.832 7.406 1.00 0.00 C ATOM 414 CG1 ILE A 305 -0.866 -4.213 7.538 1.00 0.00 C ATOM 415 CG2 ILE A 305 -1.052 -2.105 6.139 1.00 0.00 C ATOM 416 CD1 ILE A 305 -1.136 -5.065 6.302 1.00 0.00 C ATOM 0 H ILE A 305 -2.589 -3.273 9.539 1.00 0.00 H new ATOM 0 HA ILE A 305 -0.101 -2.113 8.863 1.00 0.00 H new ATOM 0 HB ILE A 305 -2.598 -2.948 7.320 1.00 0.00 H new ATOM 0 HG12 ILE A 305 0.209 -4.100 7.678 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -1.252 -4.718 8.424 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -1.313 -2.698 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -1.540 -1.132 6.077 1.00 0.00 H new ATOM 0 HG23 ILE A 305 0.029 -1.967 6.175 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -0.663 -6.040 6.421 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.211 -5.197 6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -0.728 -4.569 5.422 1.00 0.00 H new ATOM 428 N TYR A 306 -2.798 -0.224 8.362 1.00 0.00 N ATOM 429 CA TYR A 306 -3.191 1.159 8.143 1.00 0.00 C ATOM 430 C TYR A 306 -2.914 1.998 9.390 1.00 0.00 C ATOM 431 O TYR A 306 -3.283 3.171 9.445 1.00 0.00 O ATOM 432 CB TYR A 306 -4.637 1.272 7.649 1.00 0.00 C ATOM 433 CG TYR A 306 -5.721 0.784 8.588 1.00 0.00 C ATOM 434 CD1 TYR A 306 -6.139 1.597 9.650 1.00 0.00 C ATOM 435 CD2 TYR A 306 -6.316 -0.473 8.392 1.00 0.00 C ATOM 436 CE1 TYR A 306 -7.157 1.166 10.510 1.00 0.00 C ATOM 437 CE2 TYR A 306 -7.332 -0.912 9.250 1.00 0.00 C ATOM 438 CZ TYR A 306 -7.757 -0.094 10.316 1.00 0.00 C ATOM 439 OH TYR A 306 -8.745 -0.515 11.157 1.00 0.00 O ATOM 0 H TYR A 306 -3.571 -0.881 8.467 1.00 0.00 H new ATOM 0 HA TYR A 306 -2.578 1.568 7.340 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -4.835 2.318 7.416 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -4.721 0.716 6.715 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -5.674 2.559 9.806 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.989 -1.103 7.578 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -7.482 1.800 11.322 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -7.790 -1.878 9.095 1.00 0.00 H new ATOM 0 HH TYR A 306 -9.051 -1.405 10.883 1.00 0.00 H new ATOM 449 N ASN A 307 -2.264 1.391 10.390 1.00 0.00 N ATOM 450 CA ASN A 307 -1.896 2.050 11.633 1.00 0.00 C ATOM 451 C ASN A 307 -0.386 1.993 11.882 1.00 0.00 C ATOM 452 O ASN A 307 0.082 2.513 12.893 1.00 0.00 O ATOM 453 CB ASN A 307 -2.667 1.388 12.775 1.00 0.00 C ATOM 454 CG ASN A 307 -4.157 1.657 12.687 1.00 0.00 C ATOM 455 OD1 ASN A 307 -4.585 2.767 12.378 1.00 0.00 O ATOM 456 ND2 ASN A 307 -4.960 0.639 12.960 1.00 0.00 N ATOM 0 H ASN A 307 -1.978 0.413 10.350 1.00 0.00 H new ATOM 0 HA ASN A 307 -2.157 3.106 11.570 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -2.491 0.312 12.755 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -2.288 1.755 13.729 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -5.972 0.762 12.917 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -4.566 -0.267 13.213 1.00 0.00 H new ATOM 463 N PHE A 308 0.377 1.372 10.975 1.00 0.00 N ATOM 464 CA PHE A 308 1.833 1.348 11.063 1.00 0.00 C ATOM 465 C PHE A 308 2.453 2.306 10.048 1.00 0.00 C ATOM 466 O PHE A 308 3.560 2.797 10.258 1.00 0.00 O ATOM 467 CB PHE A 308 2.335 -0.081 10.824 1.00 0.00 C ATOM 468 CG PHE A 308 3.345 -0.220 9.701 1.00 0.00 C ATOM 469 CD1 PHE A 308 2.903 -0.295 8.372 1.00 0.00 C ATOM 470 CD2 PHE A 308 4.718 -0.272 9.981 1.00 0.00 C ATOM 471 CE1 PHE A 308 3.829 -0.406 7.327 1.00 0.00 C ATOM 472 CE2 PHE A 308 5.646 -0.397 8.936 1.00 0.00 C ATOM 473 CZ PHE A 308 5.201 -0.456 7.608 1.00 0.00 C ATOM 0 H PHE A 308 0.001 0.877 10.166 1.00 0.00 H new ATOM 0 HA PHE A 308 2.132 1.674 12.059 1.00 0.00 H new ATOM 0 HB2 PHE A 308 2.783 -0.453 11.745 1.00 0.00 H new ATOM 0 HB3 PHE A 308 1.479 -0.720 10.606 1.00 0.00 H new ATOM 0 HD1 PHE A 308 1.846 -0.267 8.154 1.00 0.00 H new ATOM 0 HD2 PHE A 308 5.062 -0.216 11.003 1.00 0.00 H new ATOM 0 HE1 PHE A 308 3.485 -0.453 6.304 1.00 0.00 H new ATOM 0 HE2 PHE A 308 6.702 -0.448 9.155 1.00 0.00 H new ATOM 0 HZ PHE A 308 5.915 -0.540 6.802 1.00 0.00 H new ATOM 483 N PHE A 309 1.742 2.575 8.949 1.00 0.00 N ATOM 484 CA PHE A 309 2.239 3.444 7.895 1.00 0.00 C ATOM 485 C PHE A 309 2.459 4.865 8.405 1.00 0.00 C ATOM 486 O PHE A 309 3.570 5.387 8.323 1.00 0.00 O ATOM 487 CB PHE A 309 1.224 3.447 6.748 1.00 0.00 C ATOM 488 CG PHE A 309 1.642 2.597 5.570 1.00 0.00 C ATOM 489 CD1 PHE A 309 2.606 3.100 4.691 1.00 0.00 C ATOM 490 CD2 PHE A 309 1.083 1.327 5.345 1.00 0.00 C ATOM 491 CE1 PHE A 309 2.987 2.361 3.567 1.00 0.00 C ATOM 492 CE2 PHE A 309 1.478 0.578 4.225 1.00 0.00 C ATOM 493 CZ PHE A 309 2.423 1.102 3.330 1.00 0.00 C ATOM 0 H PHE A 309 0.812 2.196 8.772 1.00 0.00 H new ATOM 0 HA PHE A 309 3.202 3.069 7.548 1.00 0.00 H new ATOM 0 HB2 PHE A 309 0.265 3.089 7.122 1.00 0.00 H new ATOM 0 HB3 PHE A 309 1.072 4.472 6.410 1.00 0.00 H new ATOM 0 HD1 PHE A 309 3.058 4.062 4.881 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.351 0.928 6.032 1.00 0.00 H new ATOM 0 HE1 PHE A 309 3.718 2.762 2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 309 1.055 -0.401 4.053 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.715 0.534 2.459 1.00 0.00 H new ATOM 503 N SER A 310 1.395 5.481 8.929 1.00 0.00 N ATOM 504 CA SER A 310 1.373 6.872 9.362 1.00 0.00 C ATOM 505 C SER A 310 -0.021 7.191 9.917 1.00 0.00 C ATOM 506 O SER A 310 -0.894 6.326 9.874 1.00 0.00 O ATOM 507 CB SER A 310 1.705 7.764 8.159 1.00 0.00 C ATOM 508 OG SER A 310 3.098 7.976 8.094 1.00 0.00 O ATOM 0 H SER A 310 0.502 5.008 9.065 1.00 0.00 H new ATOM 0 HA SER A 310 2.110 7.052 10.145 1.00 0.00 H new ATOM 0 HB2 SER A 310 1.356 7.295 7.239 1.00 0.00 H new ATOM 0 HB3 SER A 310 1.186 8.718 8.248 1.00 0.00 H new ATOM 0 HG SER A 310 3.558 7.113 8.033 1.00 0.00 H new ATOM 514 N PRO A 311 -0.243 8.412 10.435 1.00 0.00 N ATOM 515 CA PRO A 311 -1.525 8.914 10.930 1.00 0.00 C ATOM 516 C PRO A 311 -2.646 8.936 9.881 1.00 0.00 C ATOM 517 O PRO A 311 -3.643 9.636 10.056 1.00 0.00 O ATOM 518 CB PRO A 311 -1.241 10.334 11.430 1.00 0.00 C ATOM 519 CG PRO A 311 0.260 10.342 11.691 1.00 0.00 C ATOM 520 CD PRO A 311 0.778 9.427 10.590 1.00 0.00 C ATOM 0 HA PRO A 311 -1.896 8.245 11.707 1.00 0.00 H new ATOM 0 HB2 PRO A 311 -1.521 11.082 10.688 1.00 0.00 H new ATOM 0 HB3 PRO A 311 -1.804 10.558 12.336 1.00 0.00 H new ATOM 0 HG2 PRO A 311 0.681 11.345 11.620 1.00 0.00 H new ATOM 0 HG3 PRO A 311 0.503 9.964 12.684 1.00 0.00 H new ATOM 0 HD2 PRO A 311 0.933 9.976 9.661 1.00 0.00 H new ATOM 0 HD3 PRO A 311 1.736 8.985 10.863 1.00 0.00 H new ATOM 528 N LEU A 312 -2.481 8.173 8.797 1.00 0.00 N ATOM 529 CA LEU A 312 -3.396 8.072 7.669 1.00 0.00 C ATOM 530 C LEU A 312 -4.753 7.469 8.054 1.00 0.00 C ATOM 531 O LEU A 312 -5.169 7.502 9.210 1.00 0.00 O ATOM 532 CB LEU A 312 -2.736 7.223 6.584 1.00 0.00 C ATOM 533 CG LEU A 312 -1.347 7.737 6.213 1.00 0.00 C ATOM 534 CD1 LEU A 312 -0.801 6.859 5.111 1.00 0.00 C ATOM 535 CD2 LEU A 312 -1.356 9.132 5.614 1.00 0.00 C ATOM 0 H LEU A 312 -1.660 7.579 8.682 1.00 0.00 H new ATOM 0 HA LEU A 312 -3.598 9.080 7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -2.660 6.192 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -3.368 7.216 5.696 1.00 0.00 H new ATOM 0 HG LEU A 312 -0.766 7.736 7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 312 0.193 7.206 4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -0.739 5.829 5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -1.463 6.907 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 312 -0.336 9.432 5.375 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -1.957 9.134 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -1.782 9.833 6.332 1.00 0.00 H new ATOM 547 N ASN A 313 -5.442 6.911 7.054 1.00 0.00 N ATOM 548 CA ASN A 313 -6.811 6.452 7.153 1.00 0.00 C ATOM 549 C ASN A 313 -6.913 5.004 6.665 1.00 0.00 C ATOM 550 O ASN A 313 -6.034 4.540 5.941 1.00 0.00 O ATOM 551 CB ASN A 313 -7.627 7.394 6.265 1.00 0.00 C ATOM 552 CG ASN A 313 -7.336 8.844 6.593 1.00 0.00 C ATOM 553 OD1 ASN A 313 -7.756 9.357 7.626 1.00 0.00 O ATOM 554 ND2 ASN A 313 -6.611 9.516 5.707 1.00 0.00 N ATOM 0 H ASN A 313 -5.040 6.766 6.128 1.00 0.00 H new ATOM 0 HA ASN A 313 -7.178 6.466 8.179 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -7.396 7.202 5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -8.690 7.194 6.399 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -6.384 10.496 5.873 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -6.281 9.052 4.861 1.00 0.00 H new ATOM 561 N PRO A 314 -7.974 4.283 7.050 1.00 0.00 N ATOM 562 CA PRO A 314 -8.178 2.877 6.737 1.00 0.00 C ATOM 563 C PRO A 314 -8.801 2.672 5.355 1.00 0.00 C ATOM 564 O PRO A 314 -9.118 1.546 4.977 1.00 0.00 O ATOM 565 CB PRO A 314 -9.127 2.409 7.834 1.00 0.00 C ATOM 566 CG PRO A 314 -10.043 3.619 8.012 1.00 0.00 C ATOM 567 CD PRO A 314 -9.073 4.791 7.852 1.00 0.00 C ATOM 0 HA PRO A 314 -7.240 2.323 6.704 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -9.682 1.519 7.539 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -8.596 2.163 8.753 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -10.835 3.642 7.264 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -10.527 3.622 8.989 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -9.557 5.636 7.363 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -8.721 5.143 8.822 1.00 0.00 H new ATOM 575 N VAL A 315 -8.970 3.767 4.610 1.00 0.00 N ATOM 576 CA VAL A 315 -9.559 3.805 3.271 1.00 0.00 C ATOM 577 C VAL A 315 -8.805 2.970 2.232 1.00 0.00 C ATOM 578 O VAL A 315 -9.131 3.053 1.048 1.00 0.00 O ATOM 579 CB VAL A 315 -9.584 5.253 2.757 1.00 0.00 C ATOM 580 CG1 VAL A 315 -10.337 6.196 3.693 1.00 0.00 C ATOM 581 CG2 VAL A 315 -8.163 5.795 2.580 1.00 0.00 C ATOM 0 H VAL A 315 -8.688 4.691 4.938 1.00 0.00 H new ATOM 0 HA VAL A 315 -10.558 3.383 3.382 1.00 0.00 H new ATOM 0 HB VAL A 315 -10.104 5.219 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -10.323 7.205 3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -11.369 5.860 3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -9.857 6.197 4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -8.208 6.821 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -7.643 5.773 3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -7.625 5.178 1.861 1.00 0.00 H new ATOM 591 N ARG A 316 -7.809 2.173 2.634 1.00 0.00 N ATOM 592 CA ARG A 316 -6.808 1.712 1.683 1.00 0.00 C ATOM 593 C ARG A 316 -6.311 0.282 1.853 1.00 0.00 C ATOM 594 O ARG A 316 -5.661 -0.219 0.940 1.00 0.00 O ATOM 595 CB ARG A 316 -5.619 2.669 1.796 1.00 0.00 C ATOM 596 CG ARG A 316 -5.084 2.707 3.231 1.00 0.00 C ATOM 597 CD ARG A 316 -3.983 3.754 3.332 1.00 0.00 C ATOM 598 NE ARG A 316 -3.589 3.954 4.730 1.00 0.00 N ATOM 599 CZ ARG A 316 -2.493 3.442 5.291 1.00 0.00 C ATOM 600 NH1 ARG A 316 -1.678 2.645 4.603 1.00 0.00 N ATOM 601 NH2 ARG A 316 -2.209 3.732 6.558 1.00 0.00 N ATOM 0 H ARG A 316 -7.680 1.843 3.591 1.00 0.00 H new ATOM 0 HA ARG A 316 -7.292 1.708 0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -4.827 2.354 1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.922 3.670 1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.890 2.943 3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -4.697 1.728 3.513 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -3.119 3.439 2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -4.330 4.696 2.908 1.00 0.00 H new ATOM 0 HE ARG A 316 -4.197 4.526 5.316 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -1.888 2.417 3.631 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -0.844 2.262 5.048 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -2.828 4.342 7.093 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -1.373 3.345 6.995 1.00 0.00 H new ATOM 615 N VAL A 317 -6.578 -0.398 2.969 1.00 0.00 N ATOM 616 CA VAL A 317 -5.979 -1.716 3.148 1.00 0.00 C ATOM 617 C VAL A 317 -6.535 -2.761 2.186 1.00 0.00 C ATOM 618 O VAL A 317 -7.676 -2.678 1.734 1.00 0.00 O ATOM 619 CB VAL A 317 -6.098 -2.229 4.580 1.00 0.00 C ATOM 620 CG1 VAL A 317 -4.836 -1.805 5.330 1.00 0.00 C ATOM 621 CG2 VAL A 317 -7.363 -1.750 5.290 1.00 0.00 C ATOM 0 H VAL A 317 -7.177 -0.076 3.729 1.00 0.00 H new ATOM 0 HA VAL A 317 -4.923 -1.570 2.919 1.00 0.00 H new ATOM 0 HB VAL A 317 -6.187 -3.315 4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -4.889 -2.157 6.360 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -3.961 -2.237 4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.756 -0.718 5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -7.385 -2.151 6.303 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -7.367 -0.661 5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -8.240 -2.096 4.744 1.00 0.00 H new ATOM 631 N HIS A 318 -5.688 -3.749 1.889 1.00 0.00 N ATOM 632 CA HIS A 318 -5.987 -4.898 1.060 1.00 0.00 C ATOM 633 C HIS A 318 -4.959 -5.988 1.358 1.00 0.00 C ATOM 634 O HIS A 318 -3.961 -5.729 2.030 1.00 0.00 O ATOM 635 CB HIS A 318 -5.888 -4.488 -0.404 1.00 0.00 C ATOM 636 CG HIS A 318 -6.407 -5.552 -1.327 1.00 0.00 C ATOM 637 ND1 HIS A 318 -5.706 -6.200 -2.315 1.00 0.00 N ATOM 638 CD2 HIS A 318 -7.676 -6.053 -1.328 1.00 0.00 C ATOM 639 CE1 HIS A 318 -6.544 -7.070 -2.904 1.00 0.00 C ATOM 640 NE2 HIS A 318 -7.763 -7.021 -2.336 1.00 0.00 N ATOM 0 H HIS A 318 -4.731 -3.761 2.242 1.00 0.00 H new ATOM 0 HA HIS A 318 -6.991 -5.269 1.266 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -6.450 -3.568 -0.561 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -4.848 -4.272 -0.650 1.00 0.00 H new ATOM 0 HD1 HIS A 318 -4.727 -6.048 -2.558 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -8.475 -5.755 -0.666 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -6.275 -7.721 -3.723 1.00 0.00 H new ATOM 648 N ILE A 319 -5.190 -7.209 0.866 1.00 0.00 N ATOM 649 CA ILE A 319 -4.314 -8.339 1.146 1.00 0.00 C ATOM 650 C ILE A 319 -4.227 -9.244 -0.083 1.00 0.00 C ATOM 651 O ILE A 319 -5.135 -9.262 -0.912 1.00 0.00 O ATOM 652 CB ILE A 319 -4.837 -9.082 2.387 1.00 0.00 C ATOM 653 CG1 ILE A 319 -4.769 -8.123 3.586 1.00 0.00 C ATOM 654 CG2 ILE A 319 -4.019 -10.344 2.677 1.00 0.00 C ATOM 655 CD1 ILE A 319 -5.199 -8.766 4.899 1.00 0.00 C ATOM 0 H ILE A 319 -5.984 -7.436 0.268 1.00 0.00 H new ATOM 0 HA ILE A 319 -3.302 -7.996 1.363 1.00 0.00 H new ATOM 0 HB ILE A 319 -5.864 -9.399 2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -3.749 -7.752 3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -5.404 -7.259 3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -4.419 -10.842 3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -4.077 -11.019 1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -2.979 -10.071 2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -5.127 -8.034 5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -6.229 -9.112 4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -4.549 -9.613 5.120 1.00 0.00 H new ATOM 667 N GLU A 320 -3.128 -9.997 -0.200 1.00 0.00 N ATOM 668 CA GLU A 320 -2.869 -10.878 -1.325 1.00 0.00 C ATOM 669 C GLU A 320 -2.400 -12.234 -0.803 1.00 0.00 C ATOM 670 O GLU A 320 -1.735 -12.314 0.229 1.00 0.00 O ATOM 671 CB GLU A 320 -1.808 -10.208 -2.198 1.00 0.00 C ATOM 672 CG GLU A 320 -1.397 -11.072 -3.388 1.00 0.00 C ATOM 673 CD GLU A 320 -2.566 -11.316 -4.338 1.00 0.00 C ATOM 674 OE1 GLU A 320 -2.745 -10.487 -5.259 1.00 0.00 O ATOM 675 OE2 GLU A 320 -3.273 -12.328 -4.137 1.00 0.00 O ATOM 0 H GLU A 320 -2.386 -10.006 0.500 1.00 0.00 H new ATOM 0 HA GLU A 320 -3.766 -11.049 -1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -2.191 -9.254 -2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -0.929 -9.989 -1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -0.585 -10.585 -3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -1.014 -12.027 -3.029 1.00 0.00 H new ATOM 817 N ALA A 331 0.566 -8.387 1.083 1.00 0.00 N ATOM 818 CA ALA A 331 -0.472 -7.383 1.216 1.00 0.00 C ATOM 819 C ALA A 331 -0.162 -6.171 0.346 1.00 0.00 C ATOM 820 O ALA A 331 0.900 -6.074 -0.268 1.00 0.00 O ATOM 821 CB ALA A 331 -0.578 -6.970 2.686 1.00 0.00 C ATOM 0 HA ALA A 331 -1.422 -7.800 0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -1.356 -6.215 2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -0.829 -7.841 3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 331 0.376 -6.560 3.018 1.00 0.00 H new ATOM 827 N ASP A 332 -1.110 -5.236 0.298 1.00 0.00 N ATOM 828 CA ASP A 332 -0.951 -3.994 -0.432 1.00 0.00 C ATOM 829 C ASP A 332 -1.955 -2.971 0.083 1.00 0.00 C ATOM 830 O ASP A 332 -2.861 -3.310 0.844 1.00 0.00 O ATOM 831 CB ASP A 332 -1.145 -4.250 -1.930 1.00 0.00 C ATOM 832 CG ASP A 332 -2.571 -4.668 -2.278 1.00 0.00 C ATOM 833 OD1 ASP A 332 -2.879 -5.871 -2.123 1.00 0.00 O ATOM 834 OD2 ASP A 332 -3.344 -3.778 -2.697 1.00 0.00 O ATOM 0 H ASP A 332 -2.011 -5.326 0.768 1.00 0.00 H new ATOM 0 HA ASP A 332 0.053 -3.599 -0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -0.890 -3.347 -2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -0.454 -5.028 -2.254 1.00 0.00 H new ATOM 839 N VAL A 333 -1.797 -1.714 -0.332 1.00 0.00 N ATOM 840 CA VAL A 333 -2.698 -0.651 0.069 1.00 0.00 C ATOM 841 C VAL A 333 -3.045 0.234 -1.123 1.00 0.00 C ATOM 842 O VAL A 333 -2.363 0.210 -2.146 1.00 0.00 O ATOM 843 CB VAL A 333 -2.074 0.168 1.205 1.00 0.00 C ATOM 844 CG1 VAL A 333 -1.864 -0.693 2.452 1.00 0.00 C ATOM 845 CG2 VAL A 333 -0.730 0.761 0.791 1.00 0.00 C ATOM 0 H VAL A 333 -1.044 -1.413 -0.951 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.624 -1.092 0.436 1.00 0.00 H new ATOM 0 HB VAL A 333 -2.771 0.976 1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.420 -0.087 3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -2.824 -1.084 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -1.198 -1.522 2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.315 1.335 1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -0.043 -0.043 0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -0.870 1.415 -0.070 1.00 0.00 H new ATOM 855 N GLU A 334 -4.119 1.017 -0.983 1.00 0.00 N ATOM 856 CA GLU A 334 -4.646 1.870 -2.035 1.00 0.00 C ATOM 857 C GLU A 334 -4.932 3.267 -1.482 1.00 0.00 C ATOM 858 O GLU A 334 -6.078 3.627 -1.217 1.00 0.00 O ATOM 859 CB GLU A 334 -5.884 1.216 -2.656 1.00 0.00 C ATOM 860 CG GLU A 334 -6.314 1.967 -3.918 1.00 0.00 C ATOM 861 CD GLU A 334 -7.525 1.297 -4.565 1.00 0.00 C ATOM 862 OE1 GLU A 334 -8.660 1.639 -4.165 1.00 0.00 O ATOM 863 OE2 GLU A 334 -7.306 0.446 -5.456 1.00 0.00 O ATOM 0 H GLU A 334 -4.652 1.072 -0.115 1.00 0.00 H new ATOM 0 HA GLU A 334 -3.908 1.987 -2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -5.668 0.176 -2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -6.700 1.211 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -6.556 3.000 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -5.487 1.997 -4.628 1.00 0.00 H new ATOM 870 N PHE A 335 -3.862 4.048 -1.311 1.00 0.00 N ATOM 871 CA PHE A 335 -3.905 5.403 -0.779 1.00 0.00 C ATOM 872 C PHE A 335 -4.847 6.297 -1.582 1.00 0.00 C ATOM 873 O PHE A 335 -4.991 6.150 -2.797 1.00 0.00 O ATOM 874 CB PHE A 335 -2.491 5.975 -0.824 1.00 0.00 C ATOM 875 CG PHE A 335 -1.563 5.279 0.140 1.00 0.00 C ATOM 876 CD1 PHE A 335 -1.782 5.405 1.517 1.00 0.00 C ATOM 877 CD2 PHE A 335 -0.492 4.510 -0.332 1.00 0.00 C ATOM 878 CE1 PHE A 335 -0.941 4.747 2.421 1.00 0.00 C ATOM 879 CE2 PHE A 335 0.351 3.858 0.577 1.00 0.00 C ATOM 880 CZ PHE A 335 0.119 3.965 1.952 1.00 0.00 C ATOM 0 H PHE A 335 -2.918 3.742 -1.547 1.00 0.00 H new ATOM 0 HA PHE A 335 -4.282 5.370 0.243 1.00 0.00 H new ATOM 0 HB2 PHE A 335 -2.096 5.883 -1.836 1.00 0.00 H new ATOM 0 HB3 PHE A 335 -2.524 7.039 -0.590 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -2.599 6.010 1.881 1.00 0.00 H new ATOM 0 HD2 PHE A 335 -0.317 4.420 -1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -1.111 4.843 3.483 1.00 0.00 H new ATOM 0 HE2 PHE A 335 1.182 3.271 0.215 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.758 3.444 2.650 1.00 0.00 H new ATOM 890 N ALA A 336 -5.486 7.231 -0.874 1.00 0.00 N ATOM 891 CA ALA A 336 -6.293 8.271 -1.478 1.00 0.00 C ATOM 892 C ALA A 336 -5.347 9.312 -2.077 1.00 0.00 C ATOM 893 O ALA A 336 -4.790 10.140 -1.356 1.00 0.00 O ATOM 894 CB ALA A 336 -7.211 8.876 -0.411 1.00 0.00 C ATOM 0 H ALA A 336 -5.452 7.279 0.144 1.00 0.00 H new ATOM 0 HA ALA A 336 -6.928 7.877 -2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -7.822 9.660 -0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -7.859 8.099 -0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -6.607 9.300 0.391 1.00 0.00 H new ATOM 900 N THR A 337 -5.177 9.256 -3.402 1.00 0.00 N ATOM 901 CA THR A 337 -4.279 10.105 -4.180 1.00 0.00 C ATOM 902 C THR A 337 -2.817 9.846 -3.836 1.00 0.00 C ATOM 903 O THR A 337 -2.494 9.236 -2.818 1.00 0.00 O ATOM 904 CB THR A 337 -4.620 11.596 -4.077 1.00 0.00 C ATOM 905 OG1 THR A 337 -4.249 12.126 -2.828 1.00 0.00 O ATOM 906 CG2 THR A 337 -6.107 11.849 -4.323 1.00 0.00 C ATOM 0 H THR A 337 -5.684 8.588 -3.983 1.00 0.00 H new ATOM 0 HA THR A 337 -4.433 9.826 -5.222 1.00 0.00 H new ATOM 0 HB THR A 337 -4.047 12.103 -4.854 1.00 0.00 H new ATOM 0 HG1 THR A 337 -4.020 11.395 -2.217 1.00 0.00 H new ATOM 0 HG21 THR A 337 -6.313 12.916 -4.242 1.00 0.00 H new ATOM 0 HG22 THR A 337 -6.375 11.502 -5.321 1.00 0.00 H new ATOM 0 HG23 THR A 337 -6.696 11.309 -3.581 1.00 0.00 H new ATOM 914 N HIS A 338 -1.921 10.319 -4.704 1.00 0.00 N ATOM 915 CA HIS A 338 -0.494 10.167 -4.486 1.00 0.00 C ATOM 916 C HIS A 338 -0.046 10.975 -3.267 1.00 0.00 C ATOM 917 O HIS A 338 1.039 10.748 -2.742 1.00 0.00 O ATOM 918 CB HIS A 338 0.242 10.617 -5.745 1.00 0.00 C ATOM 919 CG HIS A 338 1.726 10.362 -5.699 1.00 0.00 C ATOM 920 ND1 HIS A 338 2.345 9.134 -5.667 1.00 0.00 N ATOM 921 CD2 HIS A 338 2.711 11.311 -5.682 1.00 0.00 C ATOM 922 CE1 HIS A 338 3.672 9.342 -5.626 1.00 0.00 C ATOM 923 NE2 HIS A 338 3.949 10.659 -5.645 1.00 0.00 N ATOM 0 H HIS A 338 -2.166 10.810 -5.564 1.00 0.00 H new ATOM 0 HA HIS A 338 -0.260 9.122 -4.285 1.00 0.00 H new ATOM 0 HB2 HIS A 338 -0.180 10.101 -6.607 1.00 0.00 H new ATOM 0 HB3 HIS A 338 0.069 11.683 -5.896 1.00 0.00 H new ATOM 0 HD2 HIS A 338 2.559 12.380 -5.695 1.00 0.00 H new ATOM 0 HE1 HIS A 338 4.415 8.559 -5.584 1.00 0.00 H new ATOM 0 HE2 HIS A 338 4.872 11.093 -5.635 1.00 0.00 H new ATOM 931 N GLU A 339 -0.871 11.921 -2.809 1.00 0.00 N ATOM 932 CA GLU A 339 -0.543 12.745 -1.657 1.00 0.00 C ATOM 933 C GLU A 339 -0.602 11.931 -0.369 1.00 0.00 C ATOM 934 O GLU A 339 0.257 12.082 0.499 1.00 0.00 O ATOM 935 CB GLU A 339 -1.514 13.919 -1.589 1.00 0.00 C ATOM 936 CG GLU A 339 -1.263 14.830 -2.789 1.00 0.00 C ATOM 937 CD GLU A 339 -2.212 16.027 -2.783 1.00 0.00 C ATOM 938 OE1 GLU A 339 -1.957 16.962 -1.992 1.00 0.00 O ATOM 939 OE2 GLU A 339 -3.184 16.000 -3.570 1.00 0.00 O ATOM 0 H GLU A 339 -1.777 12.131 -3.227 1.00 0.00 H new ATOM 0 HA GLU A 339 0.475 13.119 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -2.543 13.560 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -1.375 14.471 -0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 339 -0.231 15.181 -2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -1.393 14.264 -3.712 1.00 0.00 H new ATOM 946 N GLU A 340 -1.609 11.063 -0.234 1.00 0.00 N ATOM 947 CA GLU A 340 -1.658 10.144 0.895 1.00 0.00 C ATOM 948 C GLU A 340 -0.584 9.069 0.722 1.00 0.00 C ATOM 949 O GLU A 340 -0.140 8.478 1.705 1.00 0.00 O ATOM 950 CB GLU A 340 -3.063 9.546 1.007 1.00 0.00 C ATOM 951 CG GLU A 340 -3.260 8.883 2.370 1.00 0.00 C ATOM 952 CD GLU A 340 -4.640 8.245 2.499 1.00 0.00 C ATOM 953 OE1 GLU A 340 -4.857 7.203 1.842 1.00 0.00 O ATOM 954 OE2 GLU A 340 -5.467 8.802 3.253 1.00 0.00 O ATOM 0 H GLU A 340 -2.389 10.981 -0.886 1.00 0.00 H new ATOM 0 HA GLU A 340 -1.450 10.672 1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -3.809 10.328 0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -3.216 8.813 0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -2.493 8.122 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -3.128 9.625 3.157 1.00 0.00 H new ATOM 961 N ALA A 341 -0.156 8.807 -0.521 1.00 0.00 N ATOM 962 CA ALA A 341 0.874 7.810 -0.773 1.00 0.00 C ATOM 963 C ALA A 341 2.267 8.314 -0.376 1.00 0.00 C ATOM 964 O ALA A 341 3.049 7.555 0.191 1.00 0.00 O ATOM 965 CB ALA A 341 0.844 7.412 -2.249 1.00 0.00 C ATOM 0 H ALA A 341 -0.509 9.272 -1.357 1.00 0.00 H new ATOM 0 HA ALA A 341 0.664 6.937 -0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 341 1.615 6.665 -2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 341 -0.133 6.996 -2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 341 1.029 8.291 -2.867 1.00 0.00 H new ATOM 971 N VAL A 342 2.602 9.578 -0.658 1.00 0.00 N ATOM 972 CA VAL A 342 3.894 10.120 -0.239 1.00 0.00 C ATOM 973 C VAL A 342 3.892 10.429 1.253 1.00 0.00 C ATOM 974 O VAL A 342 4.951 10.424 1.878 1.00 0.00 O ATOM 975 CB VAL A 342 4.272 11.377 -1.028 1.00 0.00 C ATOM 976 CG1 VAL A 342 4.389 11.050 -2.513 1.00 0.00 C ATOM 977 CG2 VAL A 342 3.258 12.501 -0.827 1.00 0.00 C ATOM 0 H VAL A 342 2.007 10.233 -1.165 1.00 0.00 H new ATOM 0 HA VAL A 342 4.642 9.355 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 342 5.235 11.722 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 342 4.658 11.951 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 342 5.159 10.292 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.434 10.673 -2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 342 3.563 13.374 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 342 2.276 12.169 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 342 3.210 12.763 0.230 1.00 0.00 H new ATOM 987 N ALA A 343 2.717 10.697 1.833 1.00 0.00 N ATOM 988 CA ALA A 343 2.606 10.882 3.269 1.00 0.00 C ATOM 989 C ALA A 343 2.814 9.542 3.974 1.00 0.00 C ATOM 990 O ALA A 343 3.155 9.503 5.154 1.00 0.00 O ATOM 991 CB ALA A 343 1.230 11.457 3.601 1.00 0.00 C ATOM 0 H ALA A 343 1.837 10.789 1.325 1.00 0.00 H new ATOM 0 HA ALA A 343 3.370 11.579 3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 343 1.144 11.597 4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 343 1.106 12.417 3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 343 0.456 10.768 3.262 1.00 0.00 H new ATOM 997 N ALA A 344 2.607 8.445 3.239 1.00 0.00 N ATOM 998 CA ALA A 344 2.841 7.100 3.728 1.00 0.00 C ATOM 999 C ALA A 344 4.274 6.640 3.456 1.00 0.00 C ATOM 1000 O ALA A 344 4.733 5.669 4.054 1.00 0.00 O ATOM 1001 CB ALA A 344 1.880 6.165 2.999 1.00 0.00 C ATOM 0 H ALA A 344 2.268 8.476 2.277 1.00 0.00 H new ATOM 0 HA ALA A 344 2.682 7.085 4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 344 2.033 5.143 3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 344 0.853 6.468 3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 344 2.067 6.215 1.926 1.00 0.00 H new ATOM 1007 N MET A 345 4.983 7.332 2.556 1.00 0.00 N ATOM 1008 CA MET A 345 6.350 6.997 2.173 1.00 0.00 C ATOM 1009 C MET A 345 7.353 7.404 3.258 1.00 0.00 C ATOM 1010 O MET A 345 8.294 8.154 2.998 1.00 0.00 O ATOM 1011 CB MET A 345 6.672 7.645 0.822 1.00 0.00 C ATOM 1012 CG MET A 345 7.933 7.050 0.190 1.00 0.00 C ATOM 1013 SD MET A 345 7.671 5.645 -0.933 1.00 0.00 S ATOM 1014 CE MET A 345 6.969 4.400 0.176 1.00 0.00 C ATOM 0 H MET A 345 4.614 8.150 2.070 1.00 0.00 H new ATOM 0 HA MET A 345 6.436 5.915 2.068 1.00 0.00 H new ATOM 0 HB2 MET A 345 5.829 7.511 0.145 1.00 0.00 H new ATOM 0 HB3 MET A 345 6.805 8.718 0.957 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.447 7.838 -0.360 1.00 0.00 H new ATOM 0 HG3 MET A 345 8.601 6.731 0.990 1.00 0.00 H new ATOM 0 HE1 MET A 345 6.927 3.439 -0.336 1.00 0.00 H new ATOM 0 HE2 MET A 345 7.594 4.310 1.065 1.00 0.00 H new ATOM 0 HE3 MET A 345 5.963 4.700 0.469 1.00 0.00 H new ATOM 1024 N SER A 346 7.148 6.905 4.480 1.00 0.00 N ATOM 1025 CA SER A 346 7.978 7.219 5.634 1.00 0.00 C ATOM 1026 C SER A 346 8.344 5.951 6.403 1.00 0.00 C ATOM 1027 O SER A 346 8.687 6.021 7.583 1.00 0.00 O ATOM 1028 CB SER A 346 7.241 8.213 6.534 1.00 0.00 C ATOM 1029 OG SER A 346 6.947 9.394 5.817 1.00 0.00 O ATOM 0 H SER A 346 6.386 6.261 4.693 1.00 0.00 H new ATOM 0 HA SER A 346 8.908 7.673 5.292 1.00 0.00 H new ATOM 0 HB2 SER A 346 6.319 7.765 6.905 1.00 0.00 H new ATOM 0 HB3 SER A 346 7.853 8.450 7.404 1.00 0.00 H new ATOM 0 HG SER A 346 6.474 10.022 6.402 1.00 0.00 H new ATOM 1035 N LYS A 347 8.270 4.791 5.737 1.00 0.00 N ATOM 1036 CA LYS A 347 8.558 3.492 6.335 1.00 0.00 C ATOM 1037 C LYS A 347 9.409 2.621 5.410 1.00 0.00 C ATOM 1038 O LYS A 347 9.427 1.404 5.569 1.00 0.00 O ATOM 1039 CB LYS A 347 7.247 2.778 6.692 1.00 0.00 C ATOM 1040 CG LYS A 347 6.504 3.431 7.860 1.00 0.00 C ATOM 1041 CD LYS A 347 7.344 3.402 9.140 1.00 0.00 C ATOM 1042 CE LYS A 347 6.515 3.843 10.345 1.00 0.00 C ATOM 1043 NZ LYS A 347 5.934 5.185 10.145 1.00 0.00 N ATOM 0 H LYS A 347 8.004 4.734 4.754 1.00 0.00 H new ATOM 0 HA LYS A 347 9.134 3.660 7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 347 6.597 2.767 5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 347 7.463 1.739 6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 347 6.259 4.462 7.607 1.00 0.00 H new ATOM 0 HG3 LYS A 347 5.561 2.912 8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 347 7.727 2.395 9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 347 8.208 4.057 9.028 1.00 0.00 H new ATOM 0 HE2 LYS A 347 5.716 3.123 10.520 1.00 0.00 H new ATOM 0 HE3 LYS A 347 7.142 3.847 11.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 5.599 5.558 11.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 6.658 5.822 9.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 5.135 5.122 9.482 1.00 0.00 H new ATOM 1057 N ASP A 348 10.109 3.233 4.448 1.00 0.00 N ATOM 1058 CA ASP A 348 11.016 2.547 3.528 1.00 0.00 C ATOM 1059 C ASP A 348 11.831 1.479 4.252 1.00 0.00 C ATOM 1060 O ASP A 348 12.746 1.793 5.014 1.00 0.00 O ATOM 1061 CB ASP A 348 11.908 3.595 2.865 1.00 0.00 C ATOM 1062 CG ASP A 348 12.971 2.957 1.975 1.00 0.00 C ATOM 1063 OD1 ASP A 348 12.576 2.179 1.079 1.00 0.00 O ATOM 1064 OD2 ASP A 348 14.166 3.254 2.196 1.00 0.00 O ATOM 0 H ASP A 348 10.058 4.239 4.286 1.00 0.00 H new ATOM 0 HA ASP A 348 10.445 2.025 2.760 1.00 0.00 H new ATOM 0 HB2 ASP A 348 11.294 4.270 2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 348 12.392 4.198 3.633 1.00 0.00 H new ATOM 1069 N ARG A 349 11.475 0.215 3.994 1.00 0.00 N ATOM 1070 CA ARG A 349 12.028 -0.974 4.636 1.00 0.00 C ATOM 1071 C ARG A 349 12.349 -0.770 6.124 1.00 0.00 C ATOM 1072 O ARG A 349 13.350 -1.278 6.628 1.00 0.00 O ATOM 1073 CB ARG A 349 13.174 -1.559 3.817 1.00 0.00 C ATOM 1074 CG ARG A 349 14.289 -0.574 3.518 1.00 0.00 C ATOM 1075 CD ARG A 349 15.183 -1.352 2.567 1.00 0.00 C ATOM 1076 NE ARG A 349 16.383 -0.593 2.194 1.00 0.00 N ATOM 1077 CZ ARG A 349 17.471 -0.473 2.959 1.00 0.00 C ATOM 1078 NH1 ARG A 349 17.536 -1.057 4.153 1.00 0.00 N ATOM 1079 NH2 ARG A 349 18.507 0.238 2.524 1.00 0.00 N ATOM 0 H ARG A 349 10.762 -0.012 3.301 1.00 0.00 H new ATOM 0 HA ARG A 349 11.245 -1.733 4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 349 13.591 -2.411 4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 349 12.777 -1.938 2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 349 13.909 0.339 3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 349 14.821 -0.279 4.423 1.00 0.00 H new ATOM 0 HD2 ARG A 349 15.479 -2.291 3.035 1.00 0.00 H new ATOM 0 HD3 ARG A 349 14.621 -1.607 1.668 1.00 0.00 H new ATOM 0 HE ARG A 349 16.386 -0.125 1.288 1.00 0.00 H new ATOM 0 HH11 ARG A 349 16.748 -1.606 4.496 1.00 0.00 H new ATOM 0 HH12 ARG A 349 18.374 -0.956 4.725 1.00 0.00 H new ATOM 0 HH21 ARG A 349 18.468 0.689 1.610 1.00 0.00 H new ATOM 0 HH22 ARG A 349 19.340 0.333 3.105 1.00 0.00 H new ATOM 1093 N ALA A 350 11.485 -0.019 6.816 1.00 0.00 N ATOM 1094 CA ALA A 350 11.568 0.278 8.240 1.00 0.00 C ATOM 1095 C ALA A 350 11.191 -0.943 9.090 1.00 0.00 C ATOM 1096 O ALA A 350 11.371 -2.083 8.667 1.00 0.00 O ATOM 1097 CB ALA A 350 10.634 1.456 8.534 1.00 0.00 C ATOM 0 H ALA A 350 10.675 0.415 6.374 1.00 0.00 H new ATOM 0 HA ALA A 350 12.594 0.537 8.500 1.00 0.00 H new ATOM 0 HB1 ALA A 350 10.678 1.699 9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 350 10.946 2.322 7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 350 9.613 1.186 8.265 1.00 0.00 H new ATOM 1103 N ASN A 351 10.664 -0.698 10.295 1.00 0.00 N ATOM 1104 CA ASN A 351 10.235 -1.738 11.221 1.00 0.00 C ATOM 1105 C ASN A 351 8.813 -1.452 11.711 1.00 0.00 C ATOM 1106 O ASN A 351 8.224 -0.435 11.343 1.00 0.00 O ATOM 1107 CB ASN A 351 11.234 -1.838 12.382 1.00 0.00 C ATOM 1108 CG ASN A 351 11.245 -0.597 13.271 1.00 0.00 C ATOM 1109 OD1 ASN A 351 10.921 0.503 12.836 1.00 0.00 O ATOM 1110 ND2 ASN A 351 11.622 -0.772 14.534 1.00 0.00 N ATOM 0 H ASN A 351 10.524 0.246 10.655 1.00 0.00 H new ATOM 0 HA ASN A 351 10.216 -2.702 10.712 1.00 0.00 H new ATOM 0 HB2 ASN A 351 10.991 -2.710 12.989 1.00 0.00 H new ATOM 0 HB3 ASN A 351 12.234 -1.999 11.980 1.00 0.00 H new ATOM 0 HD21 ASN A 351 11.648 0.022 15.173 1.00 0.00 H new ATOM 0 HD22 ASN A 351 11.885 -1.701 14.864 1.00 0.00 H new ATOM 1117 N MET A 352 8.251 -2.341 12.540 1.00 0.00 N ATOM 1118 CA MET A 352 6.859 -2.215 12.961 1.00 0.00 C ATOM 1119 C MET A 352 6.596 -2.780 14.356 1.00 0.00 C ATOM 1120 O MET A 352 5.718 -2.279 15.058 1.00 0.00 O ATOM 1121 CB MET A 352 6.011 -2.972 11.939 1.00 0.00 C ATOM 1122 CG MET A 352 4.527 -2.923 12.278 1.00 0.00 C ATOM 1123 SD MET A 352 3.483 -3.611 10.970 1.00 0.00 S ATOM 1124 CE MET A 352 1.895 -3.515 11.824 1.00 0.00 C ATOM 0 H MET A 352 8.739 -3.148 12.928 1.00 0.00 H new ATOM 0 HA MET A 352 6.607 -1.156 13.010 1.00 0.00 H new ATOM 0 HB2 MET A 352 6.171 -2.545 10.949 1.00 0.00 H new ATOM 0 HB3 MET A 352 6.338 -4.011 11.895 1.00 0.00 H new ATOM 0 HG2 MET A 352 4.352 -3.473 13.203 1.00 0.00 H new ATOM 0 HG3 MET A 352 4.236 -1.889 12.462 1.00 0.00 H new ATOM 0 HE1 MET A 352 1.091 -3.746 11.125 1.00 0.00 H new ATOM 0 HE2 MET A 352 1.879 -4.232 12.645 1.00 0.00 H new ATOM 0 HE3 MET A 352 1.754 -2.509 12.219 1.00 0.00 H new ATOM 1134 N GLN A 353 7.339 -3.810 14.769 1.00 0.00 N ATOM 1135 CA GLN A 353 7.151 -4.410 16.084 1.00 0.00 C ATOM 1136 C GLN A 353 8.421 -5.061 16.614 1.00 0.00 C ATOM 1137 O GLN A 353 8.800 -4.817 17.758 1.00 0.00 O ATOM 1138 CB GLN A 353 6.030 -5.446 16.034 1.00 0.00 C ATOM 1139 CG GLN A 353 5.986 -6.259 14.738 1.00 0.00 C ATOM 1140 CD GLN A 353 4.672 -7.018 14.660 1.00 0.00 C ATOM 1141 OE1 GLN A 353 4.643 -8.238 14.522 1.00 0.00 O ATOM 1142 NE2 GLN A 353 3.572 -6.277 14.750 1.00 0.00 N ATOM 0 H GLN A 353 8.074 -4.242 14.210 1.00 0.00 H new ATOM 0 HA GLN A 353 6.885 -3.603 16.766 1.00 0.00 H new ATOM 0 HB2 GLN A 353 6.144 -6.130 16.875 1.00 0.00 H new ATOM 0 HB3 GLN A 353 5.074 -4.938 16.164 1.00 0.00 H new ATOM 0 HG2 GLN A 353 6.088 -5.598 13.878 1.00 0.00 H new ATOM 0 HG3 GLN A 353 6.823 -6.956 14.705 1.00 0.00 H new ATOM 0 HE21 GLN A 353 3.646 -5.266 14.864 1.00 0.00 H new ATOM 0 HE22 GLN A 353 2.654 -6.719 14.705 1.00 0.00 H new ATOM 1151 N HIS A 354 9.081 -5.884 15.795 1.00 0.00 N ATOM 1152 CA HIS A 354 10.283 -6.573 16.236 1.00 0.00 C ATOM 1153 C HIS A 354 11.167 -7.016 15.066 1.00 0.00 C ATOM 1154 O HIS A 354 12.164 -7.707 15.275 1.00 0.00 O ATOM 1155 CB HIS A 354 9.868 -7.767 17.097 1.00 0.00 C ATOM 1156 CG HIS A 354 9.380 -8.940 16.295 1.00 0.00 C ATOM 1157 ND1 HIS A 354 10.138 -9.982 15.811 1.00 0.00 N ATOM 1158 CD2 HIS A 354 8.089 -9.167 15.912 1.00 0.00 C ATOM 1159 CE1 HIS A 354 9.314 -10.816 15.152 1.00 0.00 C ATOM 1160 NE2 HIS A 354 8.050 -10.360 15.182 1.00 0.00 N ATOM 0 H HIS A 354 8.803 -6.084 14.834 1.00 0.00 H new ATOM 0 HA HIS A 354 10.888 -5.881 16.822 1.00 0.00 H new ATOM 0 HB2 HIS A 354 10.717 -8.080 17.705 1.00 0.00 H new ATOM 0 HB3 HIS A 354 9.082 -7.454 17.784 1.00 0.00 H new ATOM 0 HD1 HIS A 354 11.144 -10.100 15.931 1.00 0.00 H new ATOM 0 HD2 HIS A 354 7.243 -8.534 16.135 1.00 0.00 H new ATOM 0 HE1 HIS A 354 9.626 -11.728 14.665 1.00 0.00 H new ATOM 1168 N ARG A 355 10.809 -6.624 13.837 1.00 0.00 N ATOM 1169 CA ARG A 355 11.530 -7.027 12.638 1.00 0.00 C ATOM 1170 C ARG A 355 11.379 -5.985 11.538 1.00 0.00 C ATOM 1171 O ARG A 355 10.545 -5.085 11.628 1.00 0.00 O ATOM 1172 CB ARG A 355 10.997 -8.379 12.143 1.00 0.00 C ATOM 1173 CG ARG A 355 9.510 -8.314 11.780 1.00 0.00 C ATOM 1174 CD ARG A 355 9.028 -9.694 11.331 1.00 0.00 C ATOM 1175 NE ARG A 355 7.667 -9.636 10.783 1.00 0.00 N ATOM 1176 CZ ARG A 355 6.548 -9.540 11.508 1.00 0.00 C ATOM 1177 NH1 ARG A 355 6.586 -9.496 12.837 1.00 0.00 N ATOM 1178 NH2 ARG A 355 5.373 -9.488 10.891 1.00 0.00 N ATOM 0 H ARG A 355 10.010 -6.018 13.653 1.00 0.00 H new ATOM 0 HA ARG A 355 12.587 -7.117 12.887 1.00 0.00 H new ATOM 0 HB2 ARG A 355 11.569 -8.697 11.271 1.00 0.00 H new ATOM 0 HB3 ARG A 355 11.149 -9.133 12.916 1.00 0.00 H new ATOM 0 HG2 ARG A 355 8.930 -7.978 12.640 1.00 0.00 H new ATOM 0 HG3 ARG A 355 9.352 -7.586 10.984 1.00 0.00 H new ATOM 0 HD2 ARG A 355 9.708 -10.091 10.577 1.00 0.00 H new ATOM 0 HD3 ARG A 355 9.052 -10.382 12.176 1.00 0.00 H new ATOM 0 HE ARG A 355 7.567 -9.672 9.768 1.00 0.00 H new ATOM 0 HH11 ARG A 355 7.482 -9.536 13.323 1.00 0.00 H new ATOM 0 HH12 ARG A 355 5.719 -9.423 13.370 1.00 0.00 H new ATOM 0 HH21 ARG A 355 5.330 -9.521 9.872 1.00 0.00 H new ATOM 0 HH22 ARG A 355 4.514 -9.415 11.436 1.00 0.00 H new ATOM 1192 N TYR A 356 12.203 -6.126 10.500 1.00 0.00 N ATOM 1193 CA TYR A 356 12.143 -5.325 9.290 1.00 0.00 C ATOM 1194 C TYR A 356 10.793 -5.589 8.620 1.00 0.00 C ATOM 1195 O TYR A 356 10.301 -6.715 8.628 1.00 0.00 O ATOM 1196 CB TYR A 356 13.378 -5.718 8.457 1.00 0.00 C ATOM 1197 CG TYR A 356 13.333 -5.671 6.940 1.00 0.00 C ATOM 1198 CD1 TYR A 356 12.753 -4.602 6.238 1.00 0.00 C ATOM 1199 CD2 TYR A 356 13.904 -6.738 6.226 1.00 0.00 C ATOM 1200 CE1 TYR A 356 12.690 -4.640 4.838 1.00 0.00 C ATOM 1201 CE2 TYR A 356 13.869 -6.765 4.827 1.00 0.00 C ATOM 1202 CZ TYR A 356 13.250 -5.715 4.124 1.00 0.00 C ATOM 1203 OH TYR A 356 13.198 -5.735 2.763 1.00 0.00 O ATOM 0 H TYR A 356 12.949 -6.821 10.483 1.00 0.00 H new ATOM 0 HA TYR A 356 12.186 -4.248 9.450 1.00 0.00 H new ATOM 0 HB2 TYR A 356 14.198 -5.074 8.774 1.00 0.00 H new ATOM 0 HB3 TYR A 356 13.645 -6.736 8.739 1.00 0.00 H new ATOM 0 HD1 TYR A 356 12.357 -3.753 6.775 1.00 0.00 H new ATOM 0 HD2 TYR A 356 14.376 -7.547 6.763 1.00 0.00 H new ATOM 0 HE1 TYR A 356 12.207 -3.836 4.302 1.00 0.00 H new ATOM 0 HE2 TYR A 356 14.315 -7.588 4.289 1.00 0.00 H new ATOM 0 HH TYR A 356 13.633 -6.548 2.431 1.00 0.00 H new ATOM 1213 N ILE A 357 10.194 -4.548 8.039 1.00 0.00 N ATOM 1214 CA ILE A 357 8.951 -4.625 7.284 1.00 0.00 C ATOM 1215 C ILE A 357 9.154 -3.755 6.056 1.00 0.00 C ATOM 1216 O ILE A 357 9.986 -2.850 6.078 1.00 0.00 O ATOM 1217 CB ILE A 357 7.766 -4.125 8.123 1.00 0.00 C ATOM 1218 CG1 ILE A 357 7.528 -5.004 9.354 1.00 0.00 C ATOM 1219 CG2 ILE A 357 6.485 -4.085 7.281 1.00 0.00 C ATOM 1220 CD1 ILE A 357 7.097 -6.430 9.011 1.00 0.00 C ATOM 0 H ILE A 357 10.575 -3.603 8.085 1.00 0.00 H new ATOM 0 HA ILE A 357 8.718 -5.653 7.007 1.00 0.00 H new ATOM 0 HB ILE A 357 8.018 -3.119 8.459 1.00 0.00 H new ATOM 0 HG12 ILE A 357 8.442 -5.042 9.946 1.00 0.00 H new ATOM 0 HG13 ILE A 357 6.763 -4.542 9.978 1.00 0.00 H new ATOM 0 HG21 ILE A 357 5.658 -3.728 7.894 1.00 0.00 H new ATOM 0 HG22 ILE A 357 6.626 -3.412 6.435 1.00 0.00 H new ATOM 0 HG23 ILE A 357 6.259 -5.086 6.914 1.00 0.00 H new ATOM 0 HD11 ILE A 357 6.946 -6.996 9.930 1.00 0.00 H new ATOM 0 HD12 ILE A 357 6.166 -6.402 8.445 1.00 0.00 H new ATOM 0 HD13 ILE A 357 7.871 -6.910 8.412 1.00 0.00 H new ATOM 1232 N GLU A 358 8.411 -4.008 4.981 1.00 0.00 N ATOM 1233 CA GLU A 358 8.699 -3.337 3.730 1.00 0.00 C ATOM 1234 C GLU A 358 7.435 -2.959 2.972 1.00 0.00 C ATOM 1235 O GLU A 358 6.428 -3.662 3.032 1.00 0.00 O ATOM 1236 CB GLU A 358 9.631 -4.250 2.923 1.00 0.00 C ATOM 1237 CG GLU A 358 8.999 -5.577 2.496 1.00 0.00 C ATOM 1238 CD GLU A 358 8.516 -5.546 1.041 1.00 0.00 C ATOM 1239 OE1 GLU A 358 8.003 -4.489 0.613 1.00 0.00 O ATOM 1240 OE2 GLU A 358 8.664 -6.585 0.361 1.00 0.00 O ATOM 0 H GLU A 358 7.625 -4.658 4.955 1.00 0.00 H new ATOM 0 HA GLU A 358 9.195 -2.385 3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 358 9.962 -3.716 2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 358 10.520 -4.459 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 358 9.726 -6.380 2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 358 8.158 -5.805 3.151 1.00 0.00 H new ATOM 1247 N LEU A 359 7.517 -1.831 2.261 1.00 0.00 N ATOM 1248 CA LEU A 359 6.476 -1.326 1.383 1.00 0.00 C ATOM 1249 C LEU A 359 7.131 -0.537 0.247 1.00 0.00 C ATOM 1250 O LEU A 359 8.114 0.166 0.473 1.00 0.00 O ATOM 1251 CB LEU A 359 5.453 -0.518 2.196 1.00 0.00 C ATOM 1252 CG LEU A 359 5.910 0.789 2.866 1.00 0.00 C ATOM 1253 CD1 LEU A 359 7.263 0.712 3.569 1.00 0.00 C ATOM 1254 CD2 LEU A 359 5.945 1.956 1.882 1.00 0.00 C ATOM 0 H LEU A 359 8.340 -1.229 2.287 1.00 0.00 H new ATOM 0 HA LEU A 359 5.914 -2.140 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.621 -0.277 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.061 -1.170 2.976 1.00 0.00 H new ATOM 0 HG LEU A 359 5.153 0.957 3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 359 7.499 1.680 4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 359 7.223 -0.044 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 359 8.034 0.445 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 359 6.273 2.858 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 359 6.639 1.729 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 359 4.948 2.116 1.471 1.00 0.00 H new ATOM 1266 N PHE A 360 6.605 -0.641 -0.977 1.00 0.00 N ATOM 1267 CA PHE A 360 7.297 -0.118 -2.152 1.00 0.00 C ATOM 1268 C PHE A 360 6.290 0.587 -3.066 1.00 0.00 C ATOM 1269 O PHE A 360 5.285 -0.004 -3.461 1.00 0.00 O ATOM 1270 CB PHE A 360 8.008 -1.295 -2.842 1.00 0.00 C ATOM 1271 CG PHE A 360 9.376 -1.000 -3.433 1.00 0.00 C ATOM 1272 CD1 PHE A 360 9.545 0.045 -4.354 1.00 0.00 C ATOM 1273 CD2 PHE A 360 10.492 -1.776 -3.067 1.00 0.00 C ATOM 1274 CE1 PHE A 360 10.806 0.299 -4.914 1.00 0.00 C ATOM 1275 CE2 PHE A 360 11.740 -1.530 -3.633 1.00 0.00 C ATOM 1276 CZ PHE A 360 11.906 -0.491 -4.557 1.00 0.00 C ATOM 0 H PHE A 360 5.707 -1.081 -1.177 1.00 0.00 H new ATOM 0 HA PHE A 360 8.047 0.625 -1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 360 8.115 -2.103 -2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.363 -1.665 -3.639 1.00 0.00 H new ATOM 0 HD1 PHE A 360 8.700 0.657 -4.633 1.00 0.00 H new ATOM 0 HD2 PHE A 360 10.379 -2.568 -2.342 1.00 0.00 H new ATOM 0 HE1 PHE A 360 10.929 1.105 -5.622 1.00 0.00 H new ATOM 0 HE2 PHE A 360 12.585 -2.144 -3.358 1.00 0.00 H new ATOM 0 HZ PHE A 360 12.876 -0.300 -4.992 1.00 0.00 H new ATOM 1286 N LEU A 361 6.572 1.855 -3.394 1.00 0.00 N ATOM 1287 CA LEU A 361 5.650 2.752 -4.087 1.00 0.00 C ATOM 1288 C LEU A 361 5.146 2.175 -5.415 1.00 0.00 C ATOM 1289 O LEU A 361 5.884 1.490 -6.121 1.00 0.00 O ATOM 1290 CB LEU A 361 6.355 4.101 -4.304 1.00 0.00 C ATOM 1291 CG LEU A 361 5.501 5.314 -3.907 1.00 0.00 C ATOM 1292 CD1 LEU A 361 6.295 6.597 -4.145 1.00 0.00 C ATOM 1293 CD2 LEU A 361 4.210 5.418 -4.711 1.00 0.00 C ATOM 0 H LEU A 361 7.468 2.291 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 361 4.764 2.883 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.280 4.115 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.633 4.191 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 361 5.245 5.182 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 361 5.689 7.458 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 361 7.203 6.580 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 361 6.561 6.670 -5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 361 3.649 6.294 -4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 361 4.448 5.512 -5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 361 3.609 4.523 -4.552 1.00 0.00 H new ATOM 1305 N ASN A 362 3.881 2.460 -5.749 1.00 0.00 N ATOM 1306 CA ASN A 362 3.248 2.070 -6.995 1.00 0.00 C ATOM 1307 C ASN A 362 2.230 3.158 -7.380 1.00 0.00 C ATOM 1308 O ASN A 362 1.046 2.898 -7.600 1.00 0.00 O ATOM 1309 CB ASN A 362 2.636 0.676 -6.841 1.00 0.00 C ATOM 1310 CG ASN A 362 2.343 0.057 -8.199 1.00 0.00 C ATOM 1311 OD1 ASN A 362 3.033 -0.858 -8.637 1.00 0.00 O ATOM 1312 ND2 ASN A 362 1.315 0.553 -8.874 1.00 0.00 N ATOM 0 H ASN A 362 3.259 2.985 -5.134 1.00 0.00 H new ATOM 0 HA ASN A 362 3.967 1.995 -7.811 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.319 0.034 -6.285 1.00 0.00 H new ATOM 0 HB3 ASN A 362 1.716 0.741 -6.261 1.00 0.00 H new ATOM 0 HD21 ASN A 362 1.075 0.173 -9.790 1.00 0.00 H new ATOM 0 HD22 ASN A 362 0.764 1.314 -8.477 1.00 0.00 H new ATOM 1319 N SER A 363 2.719 4.399 -7.454 1.00 0.00 N ATOM 1320 CA SER A 363 1.942 5.568 -7.836 1.00 0.00 C ATOM 1321 C SER A 363 2.890 6.654 -8.342 1.00 0.00 C ATOM 1322 O SER A 363 4.094 6.582 -8.103 1.00 0.00 O ATOM 1323 CB SER A 363 1.153 6.063 -6.624 1.00 0.00 C ATOM 1324 OG SER A 363 0.425 7.225 -6.960 1.00 0.00 O ATOM 0 H SER A 363 3.693 4.618 -7.243 1.00 0.00 H new ATOM 0 HA SER A 363 1.241 5.314 -8.631 1.00 0.00 H new ATOM 0 HB2 SER A 363 0.472 5.284 -6.281 1.00 0.00 H new ATOM 0 HB3 SER A 363 1.834 6.277 -5.800 1.00 0.00 H new ATOM 0 HG SER A 363 0.893 8.015 -6.617 1.00 0.00 H new ATOM 1330 N THR A 364 2.361 7.663 -9.041 1.00 0.00 N ATOM 1331 CA THR A 364 3.185 8.716 -9.628 1.00 0.00 C ATOM 1332 C THR A 364 2.375 9.989 -9.893 1.00 0.00 C ATOM 1333 O THR A 364 2.751 10.794 -10.743 1.00 0.00 O ATOM 1334 CB THR A 364 3.837 8.184 -10.907 1.00 0.00 C ATOM 1335 OG1 THR A 364 4.878 9.036 -11.332 1.00 0.00 O ATOM 1336 CG2 THR A 364 2.795 8.068 -12.014 1.00 0.00 C ATOM 0 H THR A 364 1.361 7.770 -9.213 1.00 0.00 H new ATOM 0 HA THR A 364 3.965 8.994 -8.919 1.00 0.00 H new ATOM 0 HB THR A 364 4.254 7.200 -10.691 1.00 0.00 H new ATOM 0 HG1 THR A 364 4.572 9.966 -11.303 1.00 0.00 H new ATOM 0 HG21 THR A 364 3.267 7.689 -12.920 1.00 0.00 H new ATOM 0 HG22 THR A 364 2.007 7.383 -11.702 1.00 0.00 H new ATOM 0 HG23 THR A 364 2.364 9.049 -12.213 1.00 0.00 H new ATOM 1344 N THR A 365 1.262 10.174 -9.170 1.00 0.00 N ATOM 1345 CA THR A 365 0.329 11.288 -9.357 1.00 0.00 C ATOM 1346 C THR A 365 -0.062 11.493 -10.828 1.00 0.00 C ATOM 1347 O THR A 365 -0.420 12.594 -11.243 1.00 0.00 O ATOM 1348 CB THR A 365 0.853 12.560 -8.671 1.00 0.00 C ATOM 1349 OG1 THR A 365 -0.160 13.543 -8.622 1.00 0.00 O ATOM 1350 CG2 THR A 365 2.076 13.152 -9.367 1.00 0.00 C ATOM 0 H THR A 365 0.981 9.538 -8.423 1.00 0.00 H new ATOM 0 HA THR A 365 -0.606 11.029 -8.861 1.00 0.00 H new ATOM 0 HB THR A 365 1.151 12.263 -7.665 1.00 0.00 H new ATOM 0 HG1 THR A 365 -0.628 13.573 -9.482 1.00 0.00 H new ATOM 0 HG21 THR A 365 2.399 14.048 -8.836 1.00 0.00 H new ATOM 0 HG22 THR A 365 2.884 12.420 -9.368 1.00 0.00 H new ATOM 0 HG23 THR A 365 1.820 13.412 -10.394 1.00 0.00 H new