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 353 GLN : amide:sc= -0.0627 X(o=-0.18,f=-0.0065) USER MOD Set 1.2: A 354 HIS : no HD1:sc= -0.119 X(o=-0.18,f=-0.0065) USER MOD Set 2.1: A 346 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 347 LYS NZ :NH3+ 162:sc= 0.831 (180deg=0.474) USER MOD Set 3.1: A 301 THR OG1 : rot 64:sc= 0.552 USER MOD Set 3.2: A 303 ASN :FLIP amide:sc= 0.462 F(o=-2.2!,f=1) USER MOD Set 4.1: A 290 CYS SG : rot 16:sc= 1.32 USER MOD Set 4.2: A 362 ASN :FLIP amide:sc= 0.707 F(o=0.32,f=2) USER MOD Set 5.1: A 289 HIS : no HE2:sc= -2.17! C(o=-1.8!,f=-5!) USER MOD Set 5.2: A 338 HIS : no HD1:sc= -0.131 K(o=-1.8,f=-3.7) USER MOD Set 5.3: A 363 SER OG : rot -85:sc= 0.524 USER MOD Single : A 292 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 293 MET CE :methyl -177:sc= -0.498 (180deg=-0.554) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.833 K(o=0.83,f=-0.28) USER MOD Single : A 310 SER OG : rot -121:sc= 0.924 USER MOD Single : A 313 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 318 HIS : no HE2:sc= 0.423 K(o=0.42,f=-3.3!) USER MOD Single : A 337 THR OG1 : rot -13:sc= 1.15 USER MOD Single : A 345 MET CE :methyl -168:sc= -2.18! (180deg=-2.88!) USER MOD Single : A 351 ASN : amide:sc= 0.182 K(o=0.18,f=-3.1!) USER MOD Single : A 352 MET CE :methyl 161:sc= -2.23 (180deg=-3.05) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 365 THR OG1 : rot -44:sc= 0.764 USER MOD ----------------------------------------------------------------- ATOM 159 N HIS A 289 -4.635 5.110 -6.620 1.00 0.00 N ATOM 160 CA HIS A 289 -3.190 5.075 -6.469 1.00 0.00 C ATOM 161 C HIS A 289 -2.810 3.935 -5.525 1.00 0.00 C ATOM 162 O HIS A 289 -3.639 3.530 -4.711 1.00 0.00 O ATOM 163 CB HIS A 289 -2.778 6.435 -5.904 1.00 0.00 C ATOM 164 CG HIS A 289 -3.040 7.545 -6.889 1.00 0.00 C ATOM 165 ND1 HIS A 289 -2.095 8.222 -7.627 1.00 0.00 N ATOM 166 CD2 HIS A 289 -4.261 8.066 -7.221 1.00 0.00 C ATOM 167 CE1 HIS A 289 -2.740 9.127 -8.384 1.00 0.00 C ATOM 168 NE2 HIS A 289 -4.065 9.071 -8.175 1.00 0.00 N ATOM 0 HA HIS A 289 -2.680 4.896 -7.415 1.00 0.00 H new ATOM 0 HB2 HIS A 289 -3.326 6.628 -4.982 1.00 0.00 H new ATOM 0 HB3 HIS A 289 -1.719 6.418 -5.647 1.00 0.00 H new ATOM 0 HD1 HIS A 289 -1.087 8.065 -7.604 1.00 0.00 H new ATOM 0 HD2 HIS A 289 -5.213 7.755 -6.816 1.00 0.00 H new ATOM 0 HE1 HIS A 289 -2.257 9.808 -9.069 1.00 0.00 H new ATOM 176 N CYS A 290 -1.583 3.397 -5.600 1.00 0.00 N ATOM 177 CA CYS A 290 -1.247 2.279 -4.728 1.00 0.00 C ATOM 178 C CYS A 290 0.231 2.195 -4.362 1.00 0.00 C ATOM 179 O CYS A 290 1.069 2.936 -4.872 1.00 0.00 O ATOM 180 CB CYS A 290 -1.732 0.978 -5.376 1.00 0.00 C ATOM 181 SG CYS A 290 -1.077 0.829 -7.059 1.00 0.00 S ATOM 0 H CYS A 290 -0.841 3.706 -6.228 1.00 0.00 H new ATOM 0 HA CYS A 290 -1.759 2.445 -3.780 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.412 0.125 -4.778 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -2.822 0.960 -5.400 1.00 0.00 H new ATOM 0 HG CYS A 290 -0.099 1.670 -7.220 1.00 0.00 H new ATOM 187 N VAL A 291 0.529 1.260 -3.454 1.00 0.00 N ATOM 188 CA VAL A 291 1.861 0.951 -2.954 1.00 0.00 C ATOM 189 C VAL A 291 1.872 -0.530 -2.568 1.00 0.00 C ATOM 190 O VAL A 291 0.815 -1.107 -2.312 1.00 0.00 O ATOM 191 CB VAL A 291 2.157 1.841 -1.737 1.00 0.00 C ATOM 192 CG1 VAL A 291 3.541 1.584 -1.147 1.00 0.00 C ATOM 193 CG2 VAL A 291 2.094 3.317 -2.119 1.00 0.00 C ATOM 0 H VAL A 291 -0.190 0.673 -3.031 1.00 0.00 H new ATOM 0 HA VAL A 291 2.628 1.140 -3.705 1.00 0.00 H new ATOM 0 HB VAL A 291 1.397 1.593 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 291 3.699 2.239 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.613 0.544 -0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.301 1.785 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 291 2.307 3.929 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 291 2.832 3.524 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.098 3.554 -2.494 1.00 0.00 H new ATOM 203 N HIS A 292 3.050 -1.158 -2.519 1.00 0.00 N ATOM 204 CA HIS A 292 3.164 -2.563 -2.151 1.00 0.00 C ATOM 205 C HIS A 292 3.787 -2.672 -0.763 1.00 0.00 C ATOM 206 O HIS A 292 4.423 -1.726 -0.306 1.00 0.00 O ATOM 207 CB HIS A 292 4.016 -3.291 -3.190 1.00 0.00 C ATOM 208 CG HIS A 292 3.488 -3.153 -4.595 1.00 0.00 C ATOM 209 ND1 HIS A 292 2.167 -3.043 -4.969 1.00 0.00 N ATOM 210 CD2 HIS A 292 4.236 -3.111 -5.740 1.00 0.00 C ATOM 211 CE1 HIS A 292 2.129 -2.935 -6.309 1.00 0.00 C ATOM 212 NE2 HIS A 292 3.369 -2.974 -6.829 1.00 0.00 N ATOM 0 H HIS A 292 3.940 -0.708 -2.732 1.00 0.00 H new ATOM 0 HA HIS A 292 2.178 -3.026 -2.126 1.00 0.00 H new ATOM 0 HB2 HIS A 292 5.034 -2.903 -3.152 1.00 0.00 H new ATOM 0 HB3 HIS A 292 4.068 -4.348 -2.931 1.00 0.00 H new ATOM 0 HD2 HIS A 292 5.313 -3.173 -5.794 1.00 0.00 H new ATOM 0 HE1 HIS A 292 1.224 -2.831 -6.890 1.00 0.00 H new ATOM 0 HE2 HIS A 292 3.624 -2.916 -7.815 1.00 0.00 H new ATOM 220 N MET A 293 3.615 -3.812 -0.085 1.00 0.00 N ATOM 221 CA MET A 293 4.110 -3.977 1.273 1.00 0.00 C ATOM 222 C MET A 293 4.432 -5.438 1.573 1.00 0.00 C ATOM 223 O MET A 293 3.770 -6.347 1.079 1.00 0.00 O ATOM 224 CB MET A 293 3.033 -3.462 2.235 1.00 0.00 C ATOM 225 CG MET A 293 3.369 -3.694 3.705 1.00 0.00 C ATOM 226 SD MET A 293 2.051 -3.124 4.803 1.00 0.00 S ATOM 227 CE MET A 293 2.888 -3.324 6.391 1.00 0.00 C ATOM 0 H MET A 293 3.136 -4.630 -0.460 1.00 0.00 H new ATOM 0 HA MET A 293 5.034 -3.412 1.395 1.00 0.00 H new ATOM 0 HB2 MET A 293 2.888 -2.395 2.068 1.00 0.00 H new ATOM 0 HB3 MET A 293 2.087 -3.952 2.005 1.00 0.00 H new ATOM 0 HG2 MET A 293 3.545 -4.756 3.873 1.00 0.00 H new ATOM 0 HG3 MET A 293 4.295 -3.174 3.951 1.00 0.00 H new ATOM 0 HE1 MET A 293 2.202 -3.068 7.199 1.00 0.00 H new ATOM 0 HE2 MET A 293 3.212 -4.359 6.504 1.00 0.00 H new ATOM 0 HE3 MET A 293 3.756 -2.666 6.430 1.00 0.00 H new ATOM 237 N ARG A 294 5.462 -5.660 2.394 1.00 0.00 N ATOM 238 CA ARG A 294 5.846 -6.987 2.850 1.00 0.00 C ATOM 239 C ARG A 294 6.495 -6.875 4.226 1.00 0.00 C ATOM 240 O ARG A 294 6.539 -5.799 4.814 1.00 0.00 O ATOM 241 CB ARG A 294 6.837 -7.647 1.890 1.00 0.00 C ATOM 242 CG ARG A 294 6.425 -7.593 0.420 1.00 0.00 C ATOM 243 CD ARG A 294 7.451 -8.389 -0.381 1.00 0.00 C ATOM 244 NE ARG A 294 7.226 -8.261 -1.820 1.00 0.00 N ATOM 245 CZ ARG A 294 7.645 -7.224 -2.550 1.00 0.00 C ATOM 246 NH1 ARG A 294 8.320 -6.220 -1.994 1.00 0.00 N ATOM 247 NH2 ARG A 294 7.387 -7.189 -3.856 1.00 0.00 N ATOM 0 H ARG A 294 6.054 -4.914 2.760 1.00 0.00 H new ATOM 0 HA ARG A 294 4.947 -7.602 2.893 1.00 0.00 H new ATOM 0 HB2 ARG A 294 7.808 -7.163 2.000 1.00 0.00 H new ATOM 0 HB3 ARG A 294 6.965 -8.690 2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 294 5.428 -8.012 0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 294 6.386 -6.561 0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 294 8.454 -8.040 -0.136 1.00 0.00 H new ATOM 0 HD3 ARG A 294 7.400 -9.440 -0.096 1.00 0.00 H new ATOM 0 HE ARG A 294 6.719 -9.008 -2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 294 8.525 -6.235 -0.995 1.00 0.00 H new ATOM 0 HH12 ARG A 294 8.632 -5.436 -2.567 1.00 0.00 H new ATOM 0 HH21 ARG A 294 6.871 -7.952 -4.295 1.00 0.00 H new ATOM 0 HH22 ARG A 294 7.705 -6.399 -4.418 1.00 0.00 H new ATOM 261 N GLY A 295 6.999 -7.996 4.738 1.00 0.00 N ATOM 262 CA GLY A 295 7.616 -8.057 6.053 1.00 0.00 C ATOM 263 C GLY A 295 6.563 -8.259 7.131 1.00 0.00 C ATOM 264 O GLY A 295 6.891 -8.701 8.229 1.00 0.00 O ATOM 0 H GLY A 295 6.989 -8.890 4.247 1.00 0.00 H new ATOM 0 HA2 GLY A 295 8.337 -8.874 6.084 1.00 0.00 H new ATOM 0 HA3 GLY A 295 8.168 -7.137 6.244 1.00 0.00 H new ATOM 268 N LEU A 296 5.306 -7.934 6.807 1.00 0.00 N ATOM 269 CA LEU A 296 4.171 -8.133 7.689 1.00 0.00 C ATOM 270 C LEU A 296 4.222 -9.579 8.187 1.00 0.00 C ATOM 271 O LEU A 296 4.047 -10.503 7.393 1.00 0.00 O ATOM 272 CB LEU A 296 2.893 -7.816 6.902 1.00 0.00 C ATOM 273 CG LEU A 296 1.688 -7.502 7.795 1.00 0.00 C ATOM 274 CD1 LEU A 296 0.462 -7.271 6.919 1.00 0.00 C ATOM 275 CD2 LEU A 296 1.363 -8.634 8.761 1.00 0.00 C ATOM 0 H LEU A 296 5.055 -7.520 5.909 1.00 0.00 H new ATOM 0 HA LEU A 296 4.190 -7.476 8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 296 3.081 -6.966 6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 296 2.650 -8.664 6.262 1.00 0.00 H new ATOM 0 HG LEU A 296 1.945 -6.617 8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 296 -0.399 -7.047 7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 296 0.648 -6.433 6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 296 0.259 -8.168 6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 296 0.501 -8.358 9.369 1.00 0.00 H new ATOM 0 HD22 LEU A 296 1.135 -9.539 8.198 1.00 0.00 H new ATOM 0 HD23 LEU A 296 2.220 -8.817 9.409 1.00 0.00 H new ATOM 344 N ALA A 300 0.082 -11.339 11.928 1.00 0.00 N ATOM 345 CA ALA A 300 -0.481 -10.011 12.142 1.00 0.00 C ATOM 346 C ALA A 300 -1.380 -9.619 10.964 1.00 0.00 C ATOM 347 O ALA A 300 -1.473 -10.361 9.986 1.00 0.00 O ATOM 348 CB ALA A 300 0.657 -9.012 12.346 1.00 0.00 C ATOM 0 HA ALA A 300 -1.104 -10.010 13.036 1.00 0.00 H new ATOM 0 HB1 ALA A 300 0.243 -8.017 12.507 1.00 0.00 H new ATOM 0 HB2 ALA A 300 1.246 -9.304 13.215 1.00 0.00 H new ATOM 0 HB3 ALA A 300 1.295 -9.001 11.462 1.00 0.00 H new ATOM 354 N THR A 301 -2.046 -8.459 11.047 1.00 0.00 N ATOM 355 CA THR A 301 -3.056 -8.070 10.065 1.00 0.00 C ATOM 356 C THR A 301 -3.128 -6.567 9.808 1.00 0.00 C ATOM 357 O THR A 301 -2.415 -5.756 10.400 1.00 0.00 O ATOM 358 CB THR A 301 -4.442 -8.550 10.514 1.00 0.00 C ATOM 359 OG1 THR A 301 -4.542 -8.568 11.921 1.00 0.00 O ATOM 360 CG2 THR A 301 -4.723 -9.943 9.966 1.00 0.00 C ATOM 0 H THR A 301 -1.899 -7.774 11.789 1.00 0.00 H new ATOM 0 HA THR A 301 -2.752 -8.545 9.132 1.00 0.00 H new ATOM 0 HB THR A 301 -5.180 -7.850 10.121 1.00 0.00 H new ATOM 0 HG1 THR A 301 -4.456 -7.655 12.267 1.00 0.00 H new ATOM 0 HG21 THR A 301 -5.710 -10.270 10.293 1.00 0.00 H new ATOM 0 HG22 THR A 301 -4.691 -9.919 8.877 1.00 0.00 H new ATOM 0 HG23 THR A 301 -3.969 -10.638 10.336 1.00 0.00 H new ATOM 368 N GLU A 302 -4.031 -6.212 8.889 1.00 0.00 N ATOM 369 CA GLU A 302 -4.263 -4.856 8.428 1.00 0.00 C ATOM 370 C GLU A 302 -4.575 -3.873 9.550 1.00 0.00 C ATOM 371 O GLU A 302 -4.308 -2.683 9.404 1.00 0.00 O ATOM 372 CB GLU A 302 -5.399 -4.874 7.409 1.00 0.00 C ATOM 373 CG GLU A 302 -6.757 -5.106 8.066 1.00 0.00 C ATOM 374 CD GLU A 302 -7.852 -5.354 7.029 1.00 0.00 C ATOM 375 OE1 GLU A 302 -7.707 -6.324 6.250 1.00 0.00 O ATOM 376 OE2 GLU A 302 -8.829 -4.572 7.022 1.00 0.00 O ATOM 0 H GLU A 302 -4.639 -6.893 8.434 1.00 0.00 H new ATOM 0 HA GLU A 302 -3.337 -4.502 7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -5.415 -3.928 6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -5.214 -5.658 6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -6.694 -5.960 8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -7.020 -4.240 8.673 1.00 0.00 H new ATOM 383 N ASN A 303 -5.134 -4.357 10.663 1.00 0.00 N ATOM 384 CA ASN A 303 -5.450 -3.504 11.798 1.00 0.00 C ATOM 385 C ASN A 303 -4.202 -2.824 12.368 1.00 0.00 C ATOM 386 O ASN A 303 -4.324 -1.896 13.165 1.00 0.00 O ATOM 387 CB ASN A 303 -6.181 -4.308 12.870 1.00 0.00 C ATOM 388 CG ASN A 303 -5.199 -5.126 13.690 1.00 0.00 C ATOM 389 OD1 ASN A 303 -4.291 -5.809 13.002 1.00 0.00 O flip ATOM 390 ND2 ASN A 303 -5.252 -5.145 14.916 1.00 0.00 N flip ATOM 0 H ASN A 303 -5.375 -5.339 10.796 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.108 -2.708 11.448 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -6.735 -3.634 13.523 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -6.911 -4.969 12.402 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -5.966 -4.605 15.404 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -4.582 -5.701 15.447 1.00 0.00 H new ATOM 397 N ASP A 304 -3.010 -3.280 11.964 1.00 0.00 N ATOM 398 CA ASP A 304 -1.765 -2.652 12.375 1.00 0.00 C ATOM 399 C ASP A 304 -1.026 -2.037 11.186 1.00 0.00 C ATOM 400 O ASP A 304 -0.147 -1.197 11.369 1.00 0.00 O ATOM 401 CB ASP A 304 -0.911 -3.674 13.129 1.00 0.00 C ATOM 402 CG ASP A 304 0.135 -3.020 14.034 1.00 0.00 C ATOM 403 OD1 ASP A 304 0.055 -1.787 14.229 1.00 0.00 O ATOM 404 OD2 ASP A 304 1.010 -3.766 14.524 1.00 0.00 O ATOM 0 H ASP A 304 -2.890 -4.086 11.350 1.00 0.00 H new ATOM 0 HA ASP A 304 -1.984 -1.824 13.049 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -1.560 -4.309 13.732 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -0.409 -4.322 12.410 1.00 0.00 H new ATOM 409 N ILE A 305 -1.374 -2.444 9.961 1.00 0.00 N ATOM 410 CA ILE A 305 -0.806 -1.826 8.770 1.00 0.00 C ATOM 411 C ILE A 305 -1.181 -0.350 8.703 1.00 0.00 C ATOM 412 O ILE A 305 -0.308 0.514 8.694 1.00 0.00 O ATOM 413 CB ILE A 305 -1.366 -2.508 7.527 1.00 0.00 C ATOM 414 CG1 ILE A 305 -0.919 -3.968 7.445 1.00 0.00 C ATOM 415 CG2 ILE A 305 -0.929 -1.740 6.272 1.00 0.00 C ATOM 416 CD1 ILE A 305 -1.531 -4.594 6.196 1.00 0.00 C ATOM 0 H ILE A 305 -2.041 -3.193 9.774 1.00 0.00 H new ATOM 0 HA ILE A 305 0.278 -1.931 8.815 1.00 0.00 H new ATOM 0 HB ILE A 305 -2.454 -2.500 7.591 1.00 0.00 H new ATOM 0 HG12 ILE A 305 0.169 -4.029 7.405 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -1.236 -4.511 8.335 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -1.332 -2.231 5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -1.304 -0.718 6.322 1.00 0.00 H new ATOM 0 HG23 ILE A 305 0.159 -1.725 6.215 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -1.222 -5.637 6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.618 -4.542 6.258 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -1.191 -4.052 5.314 1.00 0.00 H new ATOM 428 N TYR A 306 -2.482 -0.048 8.656 1.00 0.00 N ATOM 429 CA TYR A 306 -2.922 1.332 8.522 1.00 0.00 C ATOM 430 C TYR A 306 -2.730 2.091 9.835 1.00 0.00 C ATOM 431 O TYR A 306 -3.176 3.230 9.964 1.00 0.00 O ATOM 432 CB TYR A 306 -4.359 1.396 7.987 1.00 0.00 C ATOM 433 CG TYR A 306 -5.451 0.884 8.901 1.00 0.00 C ATOM 434 CD1 TYR A 306 -5.915 1.705 9.938 1.00 0.00 C ATOM 435 CD2 TYR A 306 -6.007 -0.394 8.712 1.00 0.00 C ATOM 436 CE1 TYR A 306 -6.931 1.261 10.792 1.00 0.00 C ATOM 437 CE2 TYR A 306 -7.020 -0.847 9.570 1.00 0.00 C ATOM 438 CZ TYR A 306 -7.486 -0.022 10.614 1.00 0.00 C ATOM 439 OH TYR A 306 -8.470 -0.459 11.451 1.00 0.00 O ATOM 0 H TYR A 306 -3.235 -0.734 8.708 1.00 0.00 H new ATOM 0 HA TYR A 306 -2.299 1.835 7.783 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -4.583 2.433 7.738 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -4.401 0.829 7.057 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -5.486 2.686 10.079 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.655 -1.025 7.909 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -7.289 1.900 11.586 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -7.444 -1.830 9.431 1.00 0.00 H new ATOM 0 HH TYR A 306 -8.743 -1.363 11.190 1.00 0.00 H new ATOM 449 N ASN A 307 -2.064 1.458 10.806 1.00 0.00 N ATOM 450 CA ASN A 307 -1.812 2.035 12.111 1.00 0.00 C ATOM 451 C ASN A 307 -0.310 2.233 12.375 1.00 0.00 C ATOM 452 O ASN A 307 0.052 2.819 13.395 1.00 0.00 O ATOM 453 CB ASN A 307 -2.473 1.104 13.122 1.00 0.00 C ATOM 454 CG ASN A 307 -2.061 1.398 14.549 1.00 0.00 C ATOM 455 OD1 ASN A 307 -2.521 2.358 15.162 1.00 0.00 O ATOM 456 ND2 ASN A 307 -1.182 0.558 15.082 1.00 0.00 N ATOM 0 H ASN A 307 -1.684 0.518 10.696 1.00 0.00 H new ATOM 0 HA ASN A 307 -2.233 3.038 12.186 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -3.556 1.192 13.036 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -2.217 0.072 12.880 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -0.861 0.696 16.040 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -0.828 -0.226 14.533 1.00 0.00 H new ATOM 463 N PHE A 308 0.569 1.760 11.482 1.00 0.00 N ATOM 464 CA PHE A 308 2.002 2.027 11.606 1.00 0.00 C ATOM 465 C PHE A 308 2.509 2.852 10.424 1.00 0.00 C ATOM 466 O PHE A 308 3.555 3.490 10.518 1.00 0.00 O ATOM 467 CB PHE A 308 2.798 0.719 11.710 1.00 0.00 C ATOM 468 CG PHE A 308 3.541 0.353 10.439 1.00 0.00 C ATOM 469 CD1 PHE A 308 2.833 -0.045 9.297 1.00 0.00 C ATOM 470 CD2 PHE A 308 4.943 0.415 10.395 1.00 0.00 C ATOM 471 CE1 PHE A 308 3.512 -0.338 8.106 1.00 0.00 C ATOM 472 CE2 PHE A 308 5.626 0.106 9.208 1.00 0.00 C ATOM 473 CZ PHE A 308 4.910 -0.259 8.060 1.00 0.00 C ATOM 0 H PHE A 308 0.313 1.195 10.673 1.00 0.00 H new ATOM 0 HA PHE A 308 2.151 2.600 12.521 1.00 0.00 H new ATOM 0 HB2 PHE A 308 3.514 0.804 12.527 1.00 0.00 H new ATOM 0 HB3 PHE A 308 2.116 -0.091 11.967 1.00 0.00 H new ATOM 0 HD1 PHE A 308 1.757 -0.127 9.335 1.00 0.00 H new ATOM 0 HD2 PHE A 308 5.497 0.701 11.277 1.00 0.00 H new ATOM 0 HE1 PHE A 308 2.958 -0.624 7.224 1.00 0.00 H new ATOM 0 HE2 PHE A 308 6.705 0.150 9.180 1.00 0.00 H new ATOM 0 HZ PHE A 308 5.435 -0.479 7.142 1.00 0.00 H new ATOM 483 N PHE A 309 1.767 2.836 9.313 1.00 0.00 N ATOM 484 CA PHE A 309 2.161 3.508 8.087 1.00 0.00 C ATOM 485 C PHE A 309 2.258 5.021 8.305 1.00 0.00 C ATOM 486 O PHE A 309 3.279 5.634 8.002 1.00 0.00 O ATOM 487 CB PHE A 309 1.103 3.186 7.026 1.00 0.00 C ATOM 488 CG PHE A 309 1.632 2.726 5.688 1.00 0.00 C ATOM 489 CD1 PHE A 309 2.437 3.576 4.922 1.00 0.00 C ATOM 490 CD2 PHE A 309 1.311 1.446 5.207 1.00 0.00 C ATOM 491 CE1 PHE A 309 2.890 3.165 3.662 1.00 0.00 C ATOM 492 CE2 PHE A 309 1.773 1.029 3.949 1.00 0.00 C ATOM 493 CZ PHE A 309 2.552 1.896 3.171 1.00 0.00 C ATOM 0 H PHE A 309 0.872 2.351 9.246 1.00 0.00 H new ATOM 0 HA PHE A 309 3.144 3.163 7.765 1.00 0.00 H new ATOM 0 HB2 PHE A 309 0.444 2.412 7.420 1.00 0.00 H new ATOM 0 HB3 PHE A 309 0.492 4.075 6.868 1.00 0.00 H new ATOM 0 HD1 PHE A 309 2.709 4.549 5.302 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.707 0.781 5.807 1.00 0.00 H new ATOM 0 HE1 PHE A 309 3.501 3.827 3.067 1.00 0.00 H new ATOM 0 HE2 PHE A 309 1.529 0.043 3.582 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.892 1.587 2.194 1.00 0.00 H new ATOM 503 N SER A 310 1.180 5.606 8.834 1.00 0.00 N ATOM 504 CA SER A 310 1.019 7.030 9.080 1.00 0.00 C ATOM 505 C SER A 310 -0.346 7.241 9.747 1.00 0.00 C ATOM 506 O SER A 310 -1.138 6.301 9.788 1.00 0.00 O ATOM 507 CB SER A 310 1.078 7.751 7.734 1.00 0.00 C ATOM 508 OG SER A 310 0.258 7.106 6.787 1.00 0.00 O ATOM 0 H SER A 310 0.360 5.068 9.114 1.00 0.00 H new ATOM 0 HA SER A 310 1.802 7.421 9.730 1.00 0.00 H new ATOM 0 HB2 SER A 310 0.757 8.786 7.856 1.00 0.00 H new ATOM 0 HB3 SER A 310 2.107 7.777 7.374 1.00 0.00 H new ATOM 0 HG SER A 310 0.801 6.824 6.022 1.00 0.00 H new ATOM 514 N PRO A 311 -0.654 8.437 10.273 1.00 0.00 N ATOM 515 CA PRO A 311 -1.944 8.724 10.892 1.00 0.00 C ATOM 516 C PRO A 311 -3.121 8.727 9.905 1.00 0.00 C ATOM 517 O PRO A 311 -4.250 8.999 10.310 1.00 0.00 O ATOM 518 CB PRO A 311 -1.774 10.087 11.565 1.00 0.00 C ATOM 519 CG PRO A 311 -0.701 10.764 10.717 1.00 0.00 C ATOM 520 CD PRO A 311 0.211 9.603 10.330 1.00 0.00 C ATOM 0 HA PRO A 311 -2.203 7.937 11.600 1.00 0.00 H new ATOM 0 HB2 PRO A 311 -2.705 10.655 11.565 1.00 0.00 H new ATOM 0 HB3 PRO A 311 -1.462 9.987 12.604 1.00 0.00 H new ATOM 0 HG2 PRO A 311 -1.127 11.252 9.841 1.00 0.00 H new ATOM 0 HG3 PRO A 311 -0.165 11.529 11.279 1.00 0.00 H new ATOM 0 HD2 PRO A 311 0.691 9.784 9.368 1.00 0.00 H new ATOM 0 HD3 PRO A 311 1.007 9.467 11.063 1.00 0.00 H new ATOM 528 N LEU A 312 -2.877 8.431 8.624 1.00 0.00 N ATOM 529 CA LEU A 312 -3.897 8.313 7.596 1.00 0.00 C ATOM 530 C LEU A 312 -5.017 7.330 7.944 1.00 0.00 C ATOM 531 O LEU A 312 -4.914 6.511 8.857 1.00 0.00 O ATOM 532 CB LEU A 312 -3.206 7.854 6.312 1.00 0.00 C ATOM 533 CG LEU A 312 -2.866 9.001 5.365 1.00 0.00 C ATOM 534 CD1 LEU A 312 -2.201 10.193 6.041 1.00 0.00 C ATOM 535 CD2 LEU A 312 -1.928 8.468 4.286 1.00 0.00 C ATOM 0 H LEU A 312 -1.935 8.263 8.271 1.00 0.00 H new ATOM 0 HA LEU A 312 -4.374 9.287 7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -2.290 7.322 6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -3.851 7.144 5.794 1.00 0.00 H new ATOM 0 HG LEU A 312 -3.810 9.364 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 312 -1.993 10.963 5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -2.866 10.596 6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -1.267 9.874 6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 312 -1.672 9.273 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -1.019 8.085 4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -2.422 7.665 3.739 1.00 0.00 H new ATOM 547 N ASN A 313 -6.095 7.448 7.170 1.00 0.00 N ATOM 548 CA ASN A 313 -7.311 6.663 7.269 1.00 0.00 C ATOM 549 C ASN A 313 -7.100 5.234 6.757 1.00 0.00 C ATOM 550 O ASN A 313 -6.124 4.964 6.061 1.00 0.00 O ATOM 551 CB ASN A 313 -8.353 7.410 6.431 1.00 0.00 C ATOM 552 CG ASN A 313 -8.628 8.793 6.996 1.00 0.00 C ATOM 553 OD1 ASN A 313 -8.720 8.978 8.206 1.00 0.00 O ATOM 554 ND2 ASN A 313 -8.760 9.776 6.115 1.00 0.00 N ATOM 0 H ASN A 313 -6.139 8.134 6.417 1.00 0.00 H new ATOM 0 HA ASN A 313 -7.633 6.558 8.305 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -8.001 7.498 5.403 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -9.279 6.836 6.402 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -8.945 10.727 6.435 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -8.677 9.581 5.117 1.00 0.00 H new ATOM 561 N PRO A 314 -8.012 4.310 7.095 1.00 0.00 N ATOM 562 CA PRO A 314 -7.925 2.893 6.768 1.00 0.00 C ATOM 563 C PRO A 314 -8.397 2.582 5.346 1.00 0.00 C ATOM 564 O PRO A 314 -8.663 1.425 5.022 1.00 0.00 O ATOM 565 CB PRO A 314 -8.811 2.231 7.814 1.00 0.00 C ATOM 566 CG PRO A 314 -9.944 3.237 7.981 1.00 0.00 C ATOM 567 CD PRO A 314 -9.219 4.580 7.856 1.00 0.00 C ATOM 0 HA PRO A 314 -6.897 2.531 6.787 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -9.177 1.261 7.478 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -8.277 2.064 8.749 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -10.709 3.117 7.214 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -10.440 3.132 8.946 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -9.844 5.316 7.350 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -8.979 4.987 8.838 1.00 0.00 H new ATOM 575 N VAL A 315 -8.498 3.613 4.504 1.00 0.00 N ATOM 576 CA VAL A 315 -8.857 3.515 3.085 1.00 0.00 C ATOM 577 C VAL A 315 -7.856 2.682 2.276 1.00 0.00 C ATOM 578 O VAL A 315 -7.889 2.722 1.047 1.00 0.00 O ATOM 579 CB VAL A 315 -8.898 4.917 2.452 1.00 0.00 C ATOM 580 CG1 VAL A 315 -9.953 5.829 3.069 1.00 0.00 C ATOM 581 CG2 VAL A 315 -7.544 5.616 2.578 1.00 0.00 C ATOM 0 H VAL A 315 -8.326 4.574 4.801 1.00 0.00 H new ATOM 0 HA VAL A 315 -9.832 3.029 3.053 1.00 0.00 H new ATOM 0 HB VAL A 315 -9.155 4.749 1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -9.927 6.801 2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -10.939 5.383 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -9.748 5.956 4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -7.601 6.605 2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -7.283 5.716 3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -6.781 5.026 2.070 1.00 0.00 H new ATOM 591 N ARG A 316 -6.967 1.931 2.934 1.00 0.00 N ATOM 592 CA ARG A 316 -5.716 1.518 2.315 1.00 0.00 C ATOM 593 C ARG A 316 -5.194 0.151 2.752 1.00 0.00 C ATOM 594 O ARG A 316 -3.988 0.013 2.936 1.00 0.00 O ATOM 595 CB ARG A 316 -4.681 2.594 2.650 1.00 0.00 C ATOM 596 CG ARG A 316 -4.522 2.732 4.163 1.00 0.00 C ATOM 597 CD ARG A 316 -3.481 3.799 4.461 1.00 0.00 C ATOM 598 NE ARG A 316 -3.410 4.059 5.899 1.00 0.00 N ATOM 599 CZ ARG A 316 -2.395 4.688 6.483 1.00 0.00 C ATOM 600 NH1 ARG A 316 -1.366 5.116 5.759 1.00 0.00 N ATOM 601 NH2 ARG A 316 -2.408 4.892 7.796 1.00 0.00 N ATOM 0 H ARG A 316 -7.095 1.601 3.891 1.00 0.00 H new ATOM 0 HA ARG A 316 -5.899 1.412 1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -3.722 2.337 2.200 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -4.989 3.548 2.222 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.476 3.000 4.618 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -4.218 1.779 4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -2.506 3.476 4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -3.732 4.718 3.931 1.00 0.00 H new ATOM 0 HE ARG A 316 -4.181 3.740 6.485 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -1.353 4.962 4.751 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -0.589 5.598 6.212 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -3.196 4.566 8.355 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -1.630 5.375 8.245 1.00 0.00 H new ATOM 615 N VAL A 317 -6.040 -0.867 2.927 1.00 0.00 N ATOM 616 CA VAL A 317 -5.511 -2.170 3.321 1.00 0.00 C ATOM 617 C VAL A 317 -6.091 -3.343 2.538 1.00 0.00 C ATOM 618 O VAL A 317 -7.266 -3.358 2.172 1.00 0.00 O ATOM 619 CB VAL A 317 -5.667 -2.417 4.817 1.00 0.00 C ATOM 620 CG1 VAL A 317 -4.617 -1.594 5.559 1.00 0.00 C ATOM 621 CG2 VAL A 317 -7.070 -2.094 5.328 1.00 0.00 C ATOM 0 H VAL A 317 -7.052 -0.819 2.808 1.00 0.00 H new ATOM 0 HA VAL A 317 -4.451 -2.121 3.072 1.00 0.00 H new ATOM 0 HB VAL A 317 -5.518 -3.480 5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -4.716 -1.760 6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -3.621 -1.897 5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.763 -0.536 5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -7.121 -2.289 6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -7.293 -1.044 5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.798 -2.718 4.810 1.00 0.00 H new ATOM 631 N HIS A 318 -5.219 -4.327 2.297 1.00 0.00 N ATOM 632 CA HIS A 318 -5.520 -5.607 1.685 1.00 0.00 C ATOM 633 C HIS A 318 -4.409 -6.588 2.064 1.00 0.00 C ATOM 634 O HIS A 318 -3.351 -6.167 2.529 1.00 0.00 O ATOM 635 CB HIS A 318 -5.556 -5.432 0.173 1.00 0.00 C ATOM 636 CG HIS A 318 -5.996 -6.680 -0.534 1.00 0.00 C ATOM 637 ND1 HIS A 318 -5.309 -7.363 -1.511 1.00 0.00 N ATOM 638 CD2 HIS A 318 -7.166 -7.350 -0.316 1.00 0.00 C ATOM 639 CE1 HIS A 318 -6.059 -8.417 -1.876 1.00 0.00 C ATOM 640 NE2 HIS A 318 -7.207 -8.455 -1.174 1.00 0.00 N ATOM 0 H HIS A 318 -4.232 -4.238 2.540 1.00 0.00 H new ATOM 0 HA HIS A 318 -6.484 -5.984 2.027 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -6.233 -4.616 -0.080 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -4.566 -5.146 -0.181 1.00 0.00 H new ATOM 0 HD1 HIS A 318 -4.395 -7.114 -1.890 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -7.929 -7.074 0.397 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -5.778 -9.137 -2.631 1.00 0.00 H new ATOM 648 N ILE A 319 -4.635 -7.893 1.873 1.00 0.00 N ATOM 649 CA ILE A 319 -3.684 -8.922 2.277 1.00 0.00 C ATOM 650 C ILE A 319 -3.698 -10.056 1.256 1.00 0.00 C ATOM 651 O ILE A 319 -4.767 -10.517 0.854 1.00 0.00 O ATOM 652 CB ILE A 319 -4.058 -9.422 3.679 1.00 0.00 C ATOM 653 CG1 ILE A 319 -3.974 -8.245 4.659 1.00 0.00 C ATOM 654 CG2 ILE A 319 -3.129 -10.557 4.124 1.00 0.00 C ATOM 655 CD1 ILE A 319 -4.315 -8.648 6.087 1.00 0.00 C ATOM 0 H ILE A 319 -5.480 -8.259 1.435 1.00 0.00 H new ATOM 0 HA ILE A 319 -2.673 -8.516 2.313 1.00 0.00 H new ATOM 0 HB ILE A 319 -5.073 -9.818 3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -2.968 -7.827 4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -4.655 -7.458 4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -3.416 -10.893 5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -3.209 -11.389 3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -2.100 -10.198 4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -4.240 -7.777 6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -5.331 -9.040 6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -3.618 -9.415 6.425 1.00 0.00 H new ATOM 667 N GLU A 320 -2.511 -10.510 0.833 1.00 0.00 N ATOM 668 CA GLU A 320 -2.391 -11.505 -0.219 1.00 0.00 C ATOM 669 C GLU A 320 -0.987 -12.123 -0.263 1.00 0.00 C ATOM 670 O GLU A 320 -0.028 -11.557 0.259 1.00 0.00 O ATOM 671 CB GLU A 320 -2.697 -10.800 -1.548 1.00 0.00 C ATOM 672 CG GLU A 320 -2.691 -11.749 -2.744 1.00 0.00 C ATOM 673 CD GLU A 320 -3.177 -11.039 -4.007 1.00 0.00 C ATOM 674 OE1 GLU A 320 -4.410 -11.010 -4.216 1.00 0.00 O ATOM 675 OE2 GLU A 320 -2.312 -10.530 -4.755 1.00 0.00 O ATOM 0 H GLU A 320 -1.618 -10.195 1.213 1.00 0.00 H new ATOM 0 HA GLU A 320 -3.088 -12.322 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -3.672 -10.317 -1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -1.961 -10.013 -1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -1.683 -12.133 -2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -3.330 -12.607 -2.536 1.00 0.00 H new ATOM 817 N ALA A 331 1.018 -8.049 2.059 1.00 0.00 N ATOM 818 CA ALA A 331 -0.050 -7.081 1.906 1.00 0.00 C ATOM 819 C ALA A 331 0.207 -6.095 0.775 1.00 0.00 C ATOM 820 O ALA A 331 1.281 -6.048 0.179 1.00 0.00 O ATOM 821 CB ALA A 331 -0.203 -6.330 3.230 1.00 0.00 C ATOM 0 HA ALA A 331 -0.964 -7.615 1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -1.002 -5.594 3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -0.447 -7.037 4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 331 0.731 -5.823 3.471 1.00 0.00 H new ATOM 827 N ASP A 332 -0.818 -5.298 0.493 1.00 0.00 N ATOM 828 CA ASP A 332 -0.740 -4.204 -0.447 1.00 0.00 C ATOM 829 C ASP A 332 -1.728 -3.136 -0.002 1.00 0.00 C ATOM 830 O ASP A 332 -2.674 -3.426 0.731 1.00 0.00 O ATOM 831 CB ASP A 332 -1.029 -4.709 -1.862 1.00 0.00 C ATOM 832 CG ASP A 332 -2.456 -5.230 -2.023 1.00 0.00 C ATOM 833 OD1 ASP A 332 -2.663 -6.437 -1.765 1.00 0.00 O ATOM 834 OD2 ASP A 332 -3.327 -4.416 -2.403 1.00 0.00 O ATOM 0 H ASP A 332 -1.738 -5.402 0.922 1.00 0.00 H new ATOM 0 HA ASP A 332 0.260 -3.772 -0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -0.859 -3.901 -2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -0.326 -5.504 -2.110 1.00 0.00 H new ATOM 839 N VAL A 333 -1.512 -1.898 -0.445 1.00 0.00 N ATOM 840 CA VAL A 333 -2.340 -0.784 -0.021 1.00 0.00 C ATOM 841 C VAL A 333 -2.690 0.108 -1.205 1.00 0.00 C ATOM 842 O VAL A 333 -2.100 0.001 -2.280 1.00 0.00 O ATOM 843 CB VAL A 333 -1.607 0.009 1.069 1.00 0.00 C ATOM 844 CG1 VAL A 333 -1.204 -0.891 2.240 1.00 0.00 C ATOM 845 CG2 VAL A 333 -0.344 0.664 0.520 1.00 0.00 C ATOM 0 H VAL A 333 -0.769 -1.647 -1.097 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.275 -1.166 0.389 1.00 0.00 H new ATOM 0 HB VAL A 333 -2.302 0.774 1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -0.687 -0.297 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -2.096 -1.338 2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -0.542 -1.679 1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 333 0.154 1.219 1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 333 0.328 -0.105 0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -0.610 1.347 -0.287 1.00 0.00 H new ATOM 855 N GLU A 334 -3.659 0.998 -0.995 1.00 0.00 N ATOM 856 CA GLU A 334 -4.102 1.952 -1.999 1.00 0.00 C ATOM 857 C GLU A 334 -4.296 3.305 -1.327 1.00 0.00 C ATOM 858 O GLU A 334 -4.383 3.376 -0.103 1.00 0.00 O ATOM 859 CB GLU A 334 -5.380 1.456 -2.680 1.00 0.00 C ATOM 860 CG GLU A 334 -6.540 1.332 -1.692 1.00 0.00 C ATOM 861 CD GLU A 334 -7.798 0.824 -2.393 1.00 0.00 C ATOM 862 OE1 GLU A 334 -8.459 1.648 -3.065 1.00 0.00 O ATOM 863 OE2 GLU A 334 -8.091 -0.386 -2.252 1.00 0.00 O ATOM 0 H GLU A 334 -4.162 1.074 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 334 -3.352 2.057 -2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -5.656 2.144 -3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -5.192 0.487 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -6.266 0.650 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -6.739 2.301 -1.235 1.00 0.00 H new ATOM 870 N PHE A 335 -4.367 4.386 -2.107 1.00 0.00 N ATOM 871 CA PHE A 335 -4.441 5.716 -1.530 1.00 0.00 C ATOM 872 C PHE A 335 -5.292 6.660 -2.367 1.00 0.00 C ATOM 873 O PHE A 335 -5.450 6.487 -3.577 1.00 0.00 O ATOM 874 CB PHE A 335 -3.027 6.286 -1.408 1.00 0.00 C ATOM 875 CG PHE A 335 -2.172 5.604 -0.365 1.00 0.00 C ATOM 876 CD1 PHE A 335 -2.411 5.848 0.995 1.00 0.00 C ATOM 877 CD2 PHE A 335 -1.141 4.735 -0.746 1.00 0.00 C ATOM 878 CE1 PHE A 335 -1.614 5.238 1.970 1.00 0.00 C ATOM 879 CE2 PHE A 335 -0.348 4.118 0.233 1.00 0.00 C ATOM 880 CZ PHE A 335 -0.582 4.370 1.591 1.00 0.00 C ATOM 0 H PHE A 335 -4.374 4.361 -3.127 1.00 0.00 H new ATOM 0 HA PHE A 335 -4.911 5.629 -0.550 1.00 0.00 H new ATOM 0 HB2 PHE A 335 -2.531 6.208 -2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 335 -3.095 7.347 -1.169 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -3.213 6.509 1.291 1.00 0.00 H new ATOM 0 HD2 PHE A 335 -0.957 4.540 -1.792 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -1.795 5.437 3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 335 0.445 3.447 -0.061 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.031 3.897 2.343 1.00 0.00 H new ATOM 890 N ALA A 336 -5.834 7.666 -1.680 1.00 0.00 N ATOM 891 CA ALA A 336 -6.575 8.752 -2.283 1.00 0.00 C ATOM 892 C ALA A 336 -5.567 9.749 -2.860 1.00 0.00 C ATOM 893 O ALA A 336 -5.006 10.567 -2.130 1.00 0.00 O ATOM 894 CB ALA A 336 -7.479 9.379 -1.216 1.00 0.00 C ATOM 0 H ALA A 336 -5.763 7.742 -0.665 1.00 0.00 H new ATOM 0 HA ALA A 336 -7.216 8.410 -3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -8.045 10.200 -1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -8.169 8.626 -0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -6.867 9.757 -0.397 1.00 0.00 H new ATOM 900 N THR A 337 -5.354 9.660 -4.178 1.00 0.00 N ATOM 901 CA THR A 337 -4.416 10.467 -4.955 1.00 0.00 C ATOM 902 C THR A 337 -2.969 10.262 -4.527 1.00 0.00 C ATOM 903 O THR A 337 -2.678 9.668 -3.489 1.00 0.00 O ATOM 904 CB THR A 337 -4.788 11.955 -5.003 1.00 0.00 C ATOM 905 OG1 THR A 337 -4.560 12.602 -3.773 1.00 0.00 O ATOM 906 CG2 THR A 337 -6.248 12.146 -5.414 1.00 0.00 C ATOM 0 H THR A 337 -5.858 8.989 -4.757 1.00 0.00 H new ATOM 0 HA THR A 337 -4.502 10.097 -5.977 1.00 0.00 H new ATOM 0 HB THR A 337 -4.139 12.409 -5.752 1.00 0.00 H new ATOM 0 HG1 THR A 337 -4.405 11.932 -3.075 1.00 0.00 H new ATOM 0 HG21 THR A 337 -6.483 13.210 -5.439 1.00 0.00 H new ATOM 0 HG22 THR A 337 -6.407 11.716 -6.403 1.00 0.00 H new ATOM 0 HG23 THR A 337 -6.897 11.648 -4.693 1.00 0.00 H new ATOM 914 N HIS A 338 -2.048 10.767 -5.351 1.00 0.00 N ATOM 915 CA HIS A 338 -0.627 10.658 -5.084 1.00 0.00 C ATOM 916 C HIS A 338 -0.243 11.454 -3.838 1.00 0.00 C ATOM 917 O HIS A 338 0.796 11.198 -3.236 1.00 0.00 O ATOM 918 CB HIS A 338 0.129 11.166 -6.311 1.00 0.00 C ATOM 919 CG HIS A 338 1.619 11.001 -6.201 1.00 0.00 C ATOM 920 ND1 HIS A 338 2.306 9.811 -6.152 1.00 0.00 N ATOM 921 CD2 HIS A 338 2.541 12.010 -6.132 1.00 0.00 C ATOM 922 CE1 HIS A 338 3.616 10.101 -6.062 1.00 0.00 C ATOM 923 NE2 HIS A 338 3.813 11.431 -6.053 1.00 0.00 N ATOM 0 H HIS A 338 -2.273 11.259 -6.216 1.00 0.00 H new ATOM 0 HA HIS A 338 -0.365 9.618 -4.892 1.00 0.00 H new ATOM 0 HB2 HIS A 338 -0.225 10.633 -7.194 1.00 0.00 H new ATOM 0 HB3 HIS A 338 -0.103 12.220 -6.461 1.00 0.00 H new ATOM 0 HD2 HIS A 338 2.325 13.068 -6.138 1.00 0.00 H new ATOM 0 HE1 HIS A 338 4.404 9.365 -6.005 1.00 0.00 H new ATOM 0 HE2 HIS A 338 4.707 11.919 -6.000 1.00 0.00 H new ATOM 931 N GLU A 339 -1.075 12.421 -3.445 1.00 0.00 N ATOM 932 CA GLU A 339 -0.809 13.269 -2.293 1.00 0.00 C ATOM 933 C GLU A 339 -0.895 12.475 -0.995 1.00 0.00 C ATOM 934 O GLU A 339 -0.062 12.649 -0.107 1.00 0.00 O ATOM 935 CB GLU A 339 -1.825 14.409 -2.270 1.00 0.00 C ATOM 936 CG GLU A 339 -1.612 15.299 -3.491 1.00 0.00 C ATOM 937 CD GLU A 339 -2.590 16.472 -3.493 1.00 0.00 C ATOM 938 OE1 GLU A 339 -2.250 17.510 -2.883 1.00 0.00 O ATOM 939 OE2 GLU A 339 -3.672 16.324 -4.105 1.00 0.00 O ATOM 0 H GLU A 339 -1.952 12.634 -3.921 1.00 0.00 H new ATOM 0 HA GLU A 339 0.202 13.668 -2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -2.839 14.008 -2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -1.713 14.993 -1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 339 -0.589 15.675 -3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -1.742 14.712 -4.400 1.00 0.00 H new ATOM 946 N GLU A 340 -1.896 11.600 -0.873 1.00 0.00 N ATOM 947 CA GLU A 340 -1.993 10.731 0.290 1.00 0.00 C ATOM 948 C GLU A 340 -0.935 9.627 0.199 1.00 0.00 C ATOM 949 O GLU A 340 -0.453 9.139 1.221 1.00 0.00 O ATOM 950 CB GLU A 340 -3.404 10.146 0.350 1.00 0.00 C ATOM 951 CG GLU A 340 -3.647 9.429 1.675 1.00 0.00 C ATOM 952 CD GLU A 340 -5.078 8.907 1.759 1.00 0.00 C ATOM 953 OE1 GLU A 340 -5.359 7.886 1.094 1.00 0.00 O ATOM 954 OE2 GLU A 340 -5.879 9.531 2.490 1.00 0.00 O ATOM 0 H GLU A 340 -2.640 11.479 -1.560 1.00 0.00 H new ATOM 0 HA GLU A 340 -1.808 11.296 1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -4.137 10.943 0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -3.547 9.449 -0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -2.947 8.600 1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -3.456 10.112 2.503 1.00 0.00 H new ATOM 961 N ALA A 341 -0.566 9.225 -1.023 1.00 0.00 N ATOM 962 CA ALA A 341 0.419 8.169 -1.203 1.00 0.00 C ATOM 963 C ALA A 341 1.788 8.599 -0.672 1.00 0.00 C ATOM 964 O ALA A 341 2.430 7.845 0.059 1.00 0.00 O ATOM 965 CB ALA A 341 0.501 7.797 -2.684 1.00 0.00 C ATOM 0 H ALA A 341 -0.935 9.615 -1.890 1.00 0.00 H new ATOM 0 HA ALA A 341 0.108 7.294 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 341 1.239 7.006 -2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 341 -0.473 7.447 -3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 341 0.796 8.672 -3.263 1.00 0.00 H new ATOM 971 N VAL A 342 2.249 9.803 -1.029 1.00 0.00 N ATOM 972 CA VAL A 342 3.518 10.307 -0.517 1.00 0.00 C ATOM 973 C VAL A 342 3.410 10.676 0.960 1.00 0.00 C ATOM 974 O VAL A 342 4.422 10.708 1.658 1.00 0.00 O ATOM 975 CB VAL A 342 4.006 11.517 -1.321 1.00 0.00 C ATOM 976 CG1 VAL A 342 4.146 11.148 -2.797 1.00 0.00 C ATOM 977 CG2 VAL A 342 3.059 12.708 -1.182 1.00 0.00 C ATOM 0 H VAL A 342 1.765 10.437 -1.664 1.00 0.00 H new ATOM 0 HA VAL A 342 4.247 9.504 -0.625 1.00 0.00 H new ATOM 0 HB VAL A 342 4.977 11.806 -0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 342 4.493 12.016 -3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 342 4.866 10.336 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.179 10.828 -3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 342 3.440 13.546 -1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 342 2.070 12.431 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 342 2.991 12.998 -0.134 1.00 0.00 H new ATOM 987 N ALA A 343 2.195 10.956 1.447 1.00 0.00 N ATOM 988 CA ALA A 343 1.978 11.254 2.855 1.00 0.00 C ATOM 989 C ALA A 343 2.128 9.989 3.701 1.00 0.00 C ATOM 990 O ALA A 343 2.191 10.068 4.927 1.00 0.00 O ATOM 991 CB ALA A 343 0.590 11.865 3.047 1.00 0.00 C ATOM 0 H ALA A 343 1.348 10.981 0.879 1.00 0.00 H new ATOM 0 HA ALA A 343 2.729 11.973 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 343 0.433 12.086 4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 343 0.514 12.786 2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 343 -0.168 11.160 2.707 1.00 0.00 H new ATOM 997 N ALA A 344 2.185 8.824 3.047 1.00 0.00 N ATOM 998 CA ALA A 344 2.425 7.554 3.712 1.00 0.00 C ATOM 999 C ALA A 344 3.817 7.005 3.389 1.00 0.00 C ATOM 1000 O ALA A 344 4.286 6.082 4.054 1.00 0.00 O ATOM 1001 CB ALA A 344 1.339 6.573 3.271 1.00 0.00 C ATOM 0 H ALA A 344 2.065 8.743 2.037 1.00 0.00 H new ATOM 0 HA ALA A 344 2.387 7.697 4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 344 1.498 5.611 3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 344 0.361 6.964 3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 344 1.383 6.444 2.190 1.00 0.00 H new ATOM 1007 N MET A 345 4.487 7.562 2.374 1.00 0.00 N ATOM 1008 CA MET A 345 5.819 7.127 1.978 1.00 0.00 C ATOM 1009 C MET A 345 6.877 7.695 2.929 1.00 0.00 C ATOM 1010 O MET A 345 7.479 8.729 2.643 1.00 0.00 O ATOM 1011 CB MET A 345 6.083 7.563 0.536 1.00 0.00 C ATOM 1012 CG MET A 345 7.417 7.039 -0.009 1.00 0.00 C ATOM 1013 SD MET A 345 7.523 5.247 -0.289 1.00 0.00 S ATOM 1014 CE MET A 345 8.052 4.657 1.338 1.00 0.00 C ATOM 0 H MET A 345 4.116 8.326 1.808 1.00 0.00 H new ATOM 0 HA MET A 345 5.878 6.040 2.035 1.00 0.00 H new ATOM 0 HB2 MET A 345 5.272 7.209 -0.100 1.00 0.00 H new ATOM 0 HB3 MET A 345 6.077 8.652 0.484 1.00 0.00 H new ATOM 0 HG2 MET A 345 7.624 7.546 -0.952 1.00 0.00 H new ATOM 0 HG3 MET A 345 8.206 7.324 0.686 1.00 0.00 H new ATOM 0 HE1 MET A 345 8.363 3.615 1.264 1.00 0.00 H new ATOM 0 HE2 MET A 345 8.889 5.261 1.690 1.00 0.00 H new ATOM 0 HE3 MET A 345 7.224 4.740 2.042 1.00 0.00 H new ATOM 1024 N SER A 346 7.110 7.025 4.063 1.00 0.00 N ATOM 1025 CA SER A 346 8.088 7.485 5.044 1.00 0.00 C ATOM 1026 C SER A 346 8.713 6.336 5.839 1.00 0.00 C ATOM 1027 O SER A 346 9.384 6.582 6.840 1.00 0.00 O ATOM 1028 CB SER A 346 7.409 8.468 6.001 1.00 0.00 C ATOM 1029 OG SER A 346 6.365 7.822 6.703 1.00 0.00 O ATOM 0 H SER A 346 6.632 6.162 4.321 1.00 0.00 H new ATOM 0 HA SER A 346 8.898 7.972 4.501 1.00 0.00 H new ATOM 0 HB2 SER A 346 8.140 8.865 6.706 1.00 0.00 H new ATOM 0 HB3 SER A 346 7.012 9.316 5.442 1.00 0.00 H new ATOM 0 HG SER A 346 5.938 8.459 7.314 1.00 0.00 H new ATOM 1035 N LYS A 347 8.502 5.085 5.411 1.00 0.00 N ATOM 1036 CA LYS A 347 8.926 3.909 6.165 1.00 0.00 C ATOM 1037 C LYS A 347 9.439 2.793 5.256 1.00 0.00 C ATOM 1038 O LYS A 347 9.268 1.622 5.585 1.00 0.00 O ATOM 1039 CB LYS A 347 7.756 3.414 7.019 1.00 0.00 C ATOM 1040 CG LYS A 347 7.441 4.441 8.101 1.00 0.00 C ATOM 1041 CD LYS A 347 6.500 3.829 9.134 1.00 0.00 C ATOM 1042 CE LYS A 347 6.281 4.828 10.267 1.00 0.00 C ATOM 1043 NZ LYS A 347 5.539 6.016 9.800 1.00 0.00 N ATOM 0 H LYS A 347 8.033 4.865 4.533 1.00 0.00 H new ATOM 0 HA LYS A 347 9.759 4.197 6.806 1.00 0.00 H new ATOM 0 HB2 LYS A 347 6.879 3.251 6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 347 8.005 2.456 7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 347 8.362 4.769 8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 347 6.982 5.324 7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 347 5.548 3.573 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 347 6.923 2.904 9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 347 5.731 4.348 11.076 1.00 0.00 H new ATOM 0 HE3 LYS A 347 7.244 5.135 10.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 5.142 6.521 10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 6.184 6.647 9.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 4.767 5.718 9.170 1.00 0.00 H new ATOM 1057 N ASP A 348 10.058 3.165 4.130 1.00 0.00 N ATOM 1058 CA ASP A 348 10.557 2.273 3.082 1.00 0.00 C ATOM 1059 C ASP A 348 10.832 0.849 3.562 1.00 0.00 C ATOM 1060 O ASP A 348 10.327 -0.106 2.977 1.00 0.00 O ATOM 1061 CB ASP A 348 11.831 2.880 2.492 1.00 0.00 C ATOM 1062 CG ASP A 348 11.573 4.254 1.878 1.00 0.00 C ATOM 1063 OD1 ASP A 348 11.363 5.205 2.663 1.00 0.00 O ATOM 1064 OD2 ASP A 348 11.587 4.340 0.631 1.00 0.00 O ATOM 0 H ASP A 348 10.232 4.147 3.916 1.00 0.00 H new ATOM 0 HA ASP A 348 9.773 2.187 2.330 1.00 0.00 H new ATOM 0 HB2 ASP A 348 12.587 2.967 3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 348 12.233 2.212 1.731 1.00 0.00 H new ATOM 1069 N ARG A 349 11.628 0.698 4.622 1.00 0.00 N ATOM 1070 CA ARG A 349 11.976 -0.610 5.159 1.00 0.00 C ATOM 1071 C ARG A 349 12.170 -0.519 6.676 1.00 0.00 C ATOM 1072 O ARG A 349 13.116 -1.074 7.233 1.00 0.00 O ATOM 1073 CB ARG A 349 13.153 -1.201 4.383 1.00 0.00 C ATOM 1074 CG ARG A 349 14.325 -0.238 4.206 1.00 0.00 C ATOM 1075 CD ARG A 349 15.061 -0.730 2.967 1.00 0.00 C ATOM 1076 NE ARG A 349 16.214 0.111 2.634 1.00 0.00 N ATOM 1077 CZ ARG A 349 17.393 0.066 3.262 1.00 0.00 C ATOM 1078 NH1 ARG A 349 17.601 -0.779 4.270 1.00 0.00 N ATOM 1079 NH2 ARG A 349 18.375 0.877 2.877 1.00 0.00 N ATOM 0 H ARG A 349 12.046 1.479 5.128 1.00 0.00 H new ATOM 0 HA ARG A 349 11.160 -1.319 5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 349 13.504 -2.094 4.900 1.00 0.00 H new ATOM 0 HB3 ARG A 349 12.805 -1.518 3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 349 13.977 0.787 4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 349 14.976 -0.245 5.080 1.00 0.00 H new ATOM 0 HD2 ARG A 349 15.396 -1.754 3.129 1.00 0.00 H new ATOM 0 HD3 ARG A 349 14.373 -0.750 2.122 1.00 0.00 H new ATOM 0 HE ARG A 349 16.109 0.778 1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 349 16.855 -1.405 4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 349 18.507 -0.801 4.739 1.00 0.00 H new ATOM 0 HH21 ARG A 349 18.226 1.528 2.106 1.00 0.00 H new ATOM 0 HH22 ARG A 349 19.277 0.847 3.352 1.00 0.00 H new ATOM 1093 N ALA A 350 11.244 0.201 7.323 1.00 0.00 N ATOM 1094 CA ALA A 350 11.187 0.460 8.759 1.00 0.00 C ATOM 1095 C ALA A 350 10.887 -0.800 9.587 1.00 0.00 C ATOM 1096 O ALA A 350 11.236 -1.913 9.200 1.00 0.00 O ATOM 1097 CB ALA A 350 10.120 1.535 8.995 1.00 0.00 C ATOM 0 H ALA A 350 10.471 0.642 6.824 1.00 0.00 H new ATOM 0 HA ALA A 350 12.167 0.800 9.093 1.00 0.00 H new ATOM 0 HB1 ALA A 350 10.052 1.752 10.061 1.00 0.00 H new ATOM 0 HB2 ALA A 350 10.392 2.443 8.456 1.00 0.00 H new ATOM 0 HB3 ALA A 350 9.156 1.176 8.636 1.00 0.00 H new ATOM 1103 N ASN A 351 10.232 -0.618 10.741 1.00 0.00 N ATOM 1104 CA ASN A 351 9.913 -1.680 11.687 1.00 0.00 C ATOM 1105 C ASN A 351 8.491 -1.483 12.228 1.00 0.00 C ATOM 1106 O ASN A 351 7.884 -0.434 12.015 1.00 0.00 O ATOM 1107 CB ASN A 351 10.960 -1.636 12.810 1.00 0.00 C ATOM 1108 CG ASN A 351 10.772 -2.709 13.877 1.00 0.00 C ATOM 1109 OD1 ASN A 351 10.258 -3.791 13.611 1.00 0.00 O ATOM 1110 ND2 ASN A 351 11.192 -2.412 15.102 1.00 0.00 N ATOM 0 H ASN A 351 9.903 0.299 11.045 1.00 0.00 H new ATOM 0 HA ASN A 351 9.942 -2.658 11.207 1.00 0.00 H new ATOM 0 HB2 ASN A 351 11.952 -1.744 12.372 1.00 0.00 H new ATOM 0 HB3 ASN A 351 10.927 -0.656 13.286 1.00 0.00 H new ATOM 0 HD21 ASN A 351 11.091 -3.093 15.855 1.00 0.00 H new ATOM 0 HD22 ASN A 351 11.615 -1.503 15.290 1.00 0.00 H new ATOM 1117 N MET A 352 7.958 -2.489 12.931 1.00 0.00 N ATOM 1118 CA MET A 352 6.607 -2.459 13.479 1.00 0.00 C ATOM 1119 C MET A 352 6.528 -3.225 14.800 1.00 0.00 C ATOM 1120 O MET A 352 5.796 -2.817 15.700 1.00 0.00 O ATOM 1121 CB MET A 352 5.662 -3.098 12.460 1.00 0.00 C ATOM 1122 CG MET A 352 4.231 -3.178 12.990 1.00 0.00 C ATOM 1123 SD MET A 352 3.096 -4.091 11.909 1.00 0.00 S ATOM 1124 CE MET A 352 2.927 -2.903 10.556 1.00 0.00 C ATOM 0 H MET A 352 8.461 -3.353 13.135 1.00 0.00 H new ATOM 0 HA MET A 352 6.324 -1.425 13.675 1.00 0.00 H new ATOM 0 HB2 MET A 352 5.676 -2.519 11.537 1.00 0.00 H new ATOM 0 HB3 MET A 352 6.015 -4.099 12.214 1.00 0.00 H new ATOM 0 HG2 MET A 352 4.243 -3.653 13.971 1.00 0.00 H new ATOM 0 HG3 MET A 352 3.849 -2.167 13.130 1.00 0.00 H new ATOM 0 HE1 MET A 352 2.553 -3.413 9.668 1.00 0.00 H new ATOM 0 HE2 MET A 352 2.228 -2.119 10.846 1.00 0.00 H new ATOM 0 HE3 MET A 352 3.899 -2.460 10.337 1.00 0.00 H new ATOM 1134 N GLN A 353 7.272 -4.330 14.928 1.00 0.00 N ATOM 1135 CA GLN A 353 7.257 -5.123 16.151 1.00 0.00 C ATOM 1136 C GLN A 353 8.473 -6.034 16.271 1.00 0.00 C ATOM 1137 O GLN A 353 9.113 -6.052 17.322 1.00 0.00 O ATOM 1138 CB GLN A 353 5.989 -5.972 16.230 1.00 0.00 C ATOM 1139 CG GLN A 353 5.532 -6.558 14.894 1.00 0.00 C ATOM 1140 CD GLN A 353 4.178 -7.218 15.090 1.00 0.00 C ATOM 1141 OE1 GLN A 353 4.031 -8.427 14.949 1.00 0.00 O ATOM 1142 NE2 GLN A 353 3.177 -6.409 15.421 1.00 0.00 N ATOM 0 H GLN A 353 7.888 -4.690 14.199 1.00 0.00 H new ATOM 0 HA GLN A 353 7.282 -4.413 16.977 1.00 0.00 H new ATOM 0 HB2 GLN A 353 6.158 -6.789 16.932 1.00 0.00 H new ATOM 0 HB3 GLN A 353 5.184 -5.362 16.639 1.00 0.00 H new ATOM 0 HG2 GLN A 353 5.464 -5.773 14.140 1.00 0.00 H new ATOM 0 HG3 GLN A 353 6.258 -7.286 14.532 1.00 0.00 H new ATOM 0 HE21 GLN A 353 3.344 -5.408 15.528 1.00 0.00 H new ATOM 0 HE22 GLN A 353 2.242 -6.789 15.568 1.00 0.00 H new ATOM 1151 N HIS A 354 8.803 -6.788 15.218 1.00 0.00 N ATOM 1152 CA HIS A 354 9.924 -7.712 15.300 1.00 0.00 C ATOM 1153 C HIS A 354 10.541 -8.062 13.941 1.00 0.00 C ATOM 1154 O HIS A 354 11.470 -8.866 13.892 1.00 0.00 O ATOM 1155 CB HIS A 354 9.478 -8.962 16.061 1.00 0.00 C ATOM 1156 CG HIS A 354 8.639 -9.914 15.257 1.00 0.00 C ATOM 1157 ND1 HIS A 354 9.081 -11.013 14.557 1.00 0.00 N ATOM 1158 CD2 HIS A 354 7.284 -9.848 15.094 1.00 0.00 C ATOM 1159 CE1 HIS A 354 8.011 -11.592 13.986 1.00 0.00 C ATOM 1160 NE2 HIS A 354 6.886 -10.916 14.282 1.00 0.00 N ATOM 0 H HIS A 354 8.319 -6.775 14.320 1.00 0.00 H new ATOM 0 HA HIS A 354 10.727 -7.212 15.842 1.00 0.00 H new ATOM 0 HB2 HIS A 354 10.362 -9.490 16.418 1.00 0.00 H new ATOM 0 HB3 HIS A 354 8.913 -8.654 16.941 1.00 0.00 H new ATOM 0 HD2 HIS A 354 6.632 -9.100 15.519 1.00 0.00 H new ATOM 0 HE1 HIS A 354 8.049 -12.480 13.372 1.00 0.00 H new ATOM 0 HE2 HIS A 354 5.938 -11.137 13.977 1.00 0.00 H new ATOM 1168 N ARG A 355 10.042 -7.471 12.846 1.00 0.00 N ATOM 1169 CA ARG A 355 10.578 -7.675 11.504 1.00 0.00 C ATOM 1170 C ARG A 355 10.797 -6.318 10.850 1.00 0.00 C ATOM 1171 O ARG A 355 10.152 -5.341 11.223 1.00 0.00 O ATOM 1172 CB ARG A 355 9.589 -8.442 10.616 1.00 0.00 C ATOM 1173 CG ARG A 355 9.234 -9.864 11.044 1.00 0.00 C ATOM 1174 CD ARG A 355 10.428 -10.746 11.420 1.00 0.00 C ATOM 1175 NE ARG A 355 11.426 -10.824 10.350 1.00 0.00 N ATOM 1176 CZ ARG A 355 12.281 -11.840 10.204 1.00 0.00 C ATOM 1177 NH1 ARG A 355 12.257 -12.883 11.031 1.00 0.00 N ATOM 1178 NH2 ARG A 355 13.174 -11.818 9.219 1.00 0.00 N ATOM 0 H ARG A 355 9.247 -6.833 12.874 1.00 0.00 H new ATOM 0 HA ARG A 355 11.504 -8.242 11.599 1.00 0.00 H new ATOM 0 HB2 ARG A 355 8.666 -7.865 10.559 1.00 0.00 H new ATOM 0 HB3 ARG A 355 10.001 -8.484 9.608 1.00 0.00 H new ATOM 0 HG2 ARG A 355 8.558 -9.812 11.897 1.00 0.00 H new ATOM 0 HG3 ARG A 355 8.688 -10.345 10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 355 10.897 -10.352 12.322 1.00 0.00 H new ATOM 0 HD3 ARG A 355 10.074 -11.749 11.657 1.00 0.00 H new ATOM 0 HE ARG A 355 11.470 -10.058 9.678 1.00 0.00 H new ATOM 0 HH11 ARG A 355 11.578 -12.915 11.791 1.00 0.00 H new ATOM 0 HH12 ARG A 355 12.918 -13.650 10.904 1.00 0.00 H new ATOM 0 HH21 ARG A 355 13.205 -11.026 8.577 1.00 0.00 H new ATOM 0 HH22 ARG A 355 13.828 -12.593 9.106 1.00 0.00 H new ATOM 1192 N TYR A 356 11.707 -6.249 9.875 1.00 0.00 N ATOM 1193 CA TYR A 356 11.930 -5.016 9.144 1.00 0.00 C ATOM 1194 C TYR A 356 10.828 -4.855 8.092 1.00 0.00 C ATOM 1195 O TYR A 356 11.014 -5.160 6.918 1.00 0.00 O ATOM 1196 CB TYR A 356 13.382 -4.928 8.637 1.00 0.00 C ATOM 1197 CG TYR A 356 13.726 -5.365 7.223 1.00 0.00 C ATOM 1198 CD1 TYR A 356 13.485 -4.475 6.165 1.00 0.00 C ATOM 1199 CD2 TYR A 356 14.292 -6.624 6.956 1.00 0.00 C ATOM 1200 CE1 TYR A 356 13.805 -4.827 4.848 1.00 0.00 C ATOM 1201 CE2 TYR A 356 14.627 -6.977 5.639 1.00 0.00 C ATOM 1202 CZ TYR A 356 14.384 -6.080 4.580 1.00 0.00 C ATOM 1203 OH TYR A 356 14.705 -6.416 3.298 1.00 0.00 O ATOM 0 H TYR A 356 12.293 -7.030 9.581 1.00 0.00 H new ATOM 0 HA TYR A 356 11.842 -4.144 9.793 1.00 0.00 H new ATOM 0 HB2 TYR A 356 13.698 -3.890 8.740 1.00 0.00 H new ATOM 0 HB3 TYR A 356 13.998 -5.518 9.316 1.00 0.00 H new ATOM 0 HD1 TYR A 356 13.048 -3.509 6.369 1.00 0.00 H new ATOM 0 HD2 TYR A 356 14.469 -7.319 7.763 1.00 0.00 H new ATOM 0 HE1 TYR A 356 13.608 -4.138 4.040 1.00 0.00 H new ATOM 0 HE2 TYR A 356 15.073 -7.940 5.437 1.00 0.00 H new ATOM 0 HH TYR A 356 15.097 -7.314 3.284 1.00 0.00 H new ATOM 1213 N ILE A 357 9.652 -4.371 8.502 1.00 0.00 N ATOM 1214 CA ILE A 357 8.540 -4.221 7.573 1.00 0.00 C ATOM 1215 C ILE A 357 8.957 -3.299 6.432 1.00 0.00 C ATOM 1216 O ILE A 357 9.784 -2.411 6.619 1.00 0.00 O ATOM 1217 CB ILE A 357 7.294 -3.671 8.274 1.00 0.00 C ATOM 1218 CG1 ILE A 357 7.015 -4.358 9.615 1.00 0.00 C ATOM 1219 CG2 ILE A 357 6.092 -3.870 7.350 1.00 0.00 C ATOM 1220 CD1 ILE A 357 6.835 -5.871 9.499 1.00 0.00 C ATOM 0 H ILE A 357 9.451 -4.081 9.459 1.00 0.00 H new ATOM 0 HA ILE A 357 8.285 -5.204 7.177 1.00 0.00 H new ATOM 0 HB ILE A 357 7.468 -2.616 8.484 1.00 0.00 H new ATOM 0 HG12 ILE A 357 7.838 -4.149 10.299 1.00 0.00 H new ATOM 0 HG13 ILE A 357 6.117 -3.926 10.056 1.00 0.00 H new ATOM 0 HG21 ILE A 357 5.194 -3.484 7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 357 6.260 -3.336 6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 357 5.964 -4.932 7.143 1.00 0.00 H new ATOM 0 HD11 ILE A 357 6.641 -6.291 10.486 1.00 0.00 H new ATOM 0 HD12 ILE A 357 5.994 -6.088 8.840 1.00 0.00 H new ATOM 0 HD13 ILE A 357 7.742 -6.315 9.088 1.00 0.00 H new ATOM 1232 N GLU A 358 8.387 -3.504 5.245 1.00 0.00 N ATOM 1233 CA GLU A 358 8.775 -2.727 4.084 1.00 0.00 C ATOM 1234 C GLU A 358 7.568 -2.423 3.207 1.00 0.00 C ATOM 1235 O GLU A 358 6.592 -3.172 3.193 1.00 0.00 O ATOM 1236 CB GLU A 358 9.890 -3.473 3.334 1.00 0.00 C ATOM 1237 CG GLU A 358 9.498 -4.859 2.804 1.00 0.00 C ATOM 1238 CD GLU A 358 8.989 -4.848 1.356 1.00 0.00 C ATOM 1239 OE1 GLU A 358 8.327 -3.864 0.961 1.00 0.00 O ATOM 1240 OE2 GLU A 358 9.268 -5.836 0.641 1.00 0.00 O ATOM 0 H GLU A 358 7.661 -4.198 5.069 1.00 0.00 H new ATOM 0 HA GLU A 358 9.169 -1.759 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 358 10.217 -2.859 2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 358 10.745 -3.584 4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 358 10.362 -5.521 2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 358 8.725 -5.278 3.448 1.00 0.00 H new ATOM 1247 N LEU A 359 7.651 -1.310 2.475 1.00 0.00 N ATOM 1248 CA LEU A 359 6.645 -0.891 1.516 1.00 0.00 C ATOM 1249 C LEU A 359 7.313 -0.030 0.444 1.00 0.00 C ATOM 1250 O LEU A 359 8.220 0.744 0.744 1.00 0.00 O ATOM 1251 CB LEU A 359 5.457 -0.217 2.228 1.00 0.00 C ATOM 1252 CG LEU A 359 5.701 1.080 3.016 1.00 0.00 C ATOM 1253 CD1 LEU A 359 6.950 1.065 3.889 1.00 0.00 C ATOM 1254 CD2 LEU A 359 5.753 2.306 2.106 1.00 0.00 C ATOM 0 H LEU A 359 8.439 -0.666 2.539 1.00 0.00 H new ATOM 0 HA LEU A 359 6.212 -1.752 1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.698 -0.007 1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.029 -0.946 2.917 1.00 0.00 H new ATOM 0 HG LEU A 359 4.839 1.143 3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 359 7.043 2.019 4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.873 0.260 4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 359 7.829 0.905 3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 359 5.927 3.198 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 359 6.563 2.190 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 359 4.806 2.405 1.575 1.00 0.00 H new ATOM 1266 N PHE A 360 6.872 -0.158 -0.810 1.00 0.00 N ATOM 1267 CA PHE A 360 7.586 0.410 -1.948 1.00 0.00 C ATOM 1268 C PHE A 360 6.583 1.087 -2.886 1.00 0.00 C ATOM 1269 O PHE A 360 5.663 0.443 -3.391 1.00 0.00 O ATOM 1270 CB PHE A 360 8.368 -0.729 -2.627 1.00 0.00 C ATOM 1271 CG PHE A 360 9.753 -0.384 -3.148 1.00 0.00 C ATOM 1272 CD1 PHE A 360 9.936 0.693 -4.029 1.00 0.00 C ATOM 1273 CD2 PHE A 360 10.871 -1.145 -2.759 1.00 0.00 C ATOM 1274 CE1 PHE A 360 11.213 0.992 -4.528 1.00 0.00 C ATOM 1275 CE2 PHE A 360 12.135 -0.856 -3.264 1.00 0.00 C ATOM 1276 CZ PHE A 360 12.316 0.211 -4.150 1.00 0.00 C ATOM 0 H PHE A 360 6.017 -0.655 -1.060 1.00 0.00 H new ATOM 0 HA PHE A 360 8.297 1.178 -1.642 1.00 0.00 H new ATOM 0 HB2 PHE A 360 8.466 -1.548 -1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.773 -1.102 -3.461 1.00 0.00 H new ATOM 0 HD1 PHE A 360 9.089 1.295 -4.325 1.00 0.00 H new ATOM 0 HD2 PHE A 360 10.747 -1.961 -2.062 1.00 0.00 H new ATOM 0 HE1 PHE A 360 11.347 1.824 -5.204 1.00 0.00 H new ATOM 0 HE2 PHE A 360 12.981 -1.459 -2.970 1.00 0.00 H new ATOM 0 HZ PHE A 360 13.298 0.432 -4.541 1.00 0.00 H new ATOM 1286 N LEU A 361 6.773 2.393 -3.108 1.00 0.00 N ATOM 1287 CA LEU A 361 5.850 3.266 -3.830 1.00 0.00 C ATOM 1288 C LEU A 361 5.457 2.693 -5.200 1.00 0.00 C ATOM 1289 O LEU A 361 6.302 2.164 -5.920 1.00 0.00 O ATOM 1290 CB LEU A 361 6.523 4.643 -3.945 1.00 0.00 C ATOM 1291 CG LEU A 361 5.605 5.877 -3.908 1.00 0.00 C ATOM 1292 CD1 LEU A 361 4.691 5.985 -5.121 1.00 0.00 C ATOM 1293 CD2 LEU A 361 4.714 5.905 -2.669 1.00 0.00 C ATOM 0 H LEU A 361 7.603 2.885 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 361 4.910 3.352 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.246 4.735 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 361 7.086 4.668 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 361 6.298 6.718 -3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 361 4.071 6.877 -5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 361 5.294 6.052 -6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 361 4.053 5.103 -5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 361 4.086 6.796 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 361 4.083 5.017 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 361 5.336 5.923 -1.774 1.00 0.00 H new ATOM 1305 N ASN A 362 4.171 2.803 -5.553 1.00 0.00 N ATOM 1306 CA ASN A 362 3.619 2.334 -6.811 1.00 0.00 C ATOM 1307 C ASN A 362 2.510 3.293 -7.266 1.00 0.00 C ATOM 1308 O ASN A 362 1.389 2.888 -7.582 1.00 0.00 O ATOM 1309 CB ASN A 362 3.129 0.894 -6.638 1.00 0.00 C ATOM 1310 CG ASN A 362 2.828 0.273 -7.990 1.00 0.00 C ATOM 1311 OD1 ASN A 362 3.824 0.267 -8.868 1.00 0.00 O flip ATOM 1312 ND2 ASN A 362 1.721 -0.194 -8.246 1.00 0.00 N flip ATOM 0 H ASN A 362 3.473 3.235 -4.948 1.00 0.00 H new ATOM 0 HA ASN A 362 4.378 2.326 -7.594 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.886 0.305 -6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 362 2.234 0.880 -6.016 1.00 0.00 H new ATOM 0 HD21 ASN A 362 0.982 -0.170 -7.543 1.00 0.00 H new ATOM 0 HD22 ASN A 362 1.541 -0.606 -9.161 1.00 0.00 H new ATOM 1319 N SER A 363 2.839 4.587 -7.293 1.00 0.00 N ATOM 1320 CA SER A 363 1.899 5.644 -7.622 1.00 0.00 C ATOM 1321 C SER A 363 2.633 6.860 -8.180 1.00 0.00 C ATOM 1322 O SER A 363 3.834 7.026 -7.972 1.00 0.00 O ATOM 1323 CB SER A 363 1.161 6.041 -6.341 1.00 0.00 C ATOM 1324 OG SER A 363 0.418 7.225 -6.538 1.00 0.00 O ATOM 0 H SER A 363 3.778 4.927 -7.084 1.00 0.00 H new ATOM 0 HA SER A 363 1.199 5.288 -8.378 1.00 0.00 H new ATOM 0 HB2 SER A 363 0.495 5.235 -6.035 1.00 0.00 H new ATOM 0 HB3 SER A 363 1.878 6.186 -5.533 1.00 0.00 H new ATOM 0 HG SER A 363 0.999 8.002 -6.401 1.00 0.00 H new ATOM 1330 N THR A 364 1.895 7.711 -8.894 1.00 0.00 N ATOM 1331 CA THR A 364 2.375 9.000 -9.363 1.00 0.00 C ATOM 1332 C THR A 364 1.177 9.919 -9.576 1.00 0.00 C ATOM 1333 O THR A 364 0.039 9.458 -9.632 1.00 0.00 O ATOM 1334 CB THR A 364 3.224 8.851 -10.627 1.00 0.00 C ATOM 1335 OG1 THR A 364 3.806 10.094 -10.950 1.00 0.00 O ATOM 1336 CG2 THR A 364 2.367 8.390 -11.795 1.00 0.00 C ATOM 0 H THR A 364 0.931 7.515 -9.164 1.00 0.00 H new ATOM 0 HA THR A 364 3.029 9.445 -8.613 1.00 0.00 H new ATOM 0 HB THR A 364 4.000 8.109 -10.439 1.00 0.00 H new ATOM 0 HG1 THR A 364 4.352 10.000 -11.759 1.00 0.00 H new ATOM 0 HG21 THR A 364 2.988 8.290 -12.685 1.00 0.00 H new ATOM 0 HG22 THR A 364 1.916 7.427 -11.557 1.00 0.00 H new ATOM 0 HG23 THR A 364 1.582 9.123 -11.981 1.00 0.00 H new ATOM 1344 N THR A 365 1.438 11.220 -9.695 1.00 0.00 N ATOM 1345 CA THR A 365 0.432 12.269 -9.824 1.00 0.00 C ATOM 1346 C THR A 365 -0.312 12.228 -11.170 1.00 0.00 C ATOM 1347 O THR A 365 -0.917 13.217 -11.579 1.00 0.00 O ATOM 1348 CB THR A 365 1.129 13.611 -9.577 1.00 0.00 C ATOM 1349 OG1 THR A 365 0.210 14.682 -9.582 1.00 0.00 O ATOM 1350 CG2 THR A 365 2.207 13.842 -10.632 1.00 0.00 C ATOM 0 H THR A 365 2.391 11.584 -9.704 1.00 0.00 H new ATOM 0 HA THR A 365 -0.352 12.114 -9.082 1.00 0.00 H new ATOM 0 HB THR A 365 1.590 13.571 -8.590 1.00 0.00 H new ATOM 0 HG1 THR A 365 -0.414 14.574 -10.330 1.00 0.00 H new ATOM 0 HG21 THR A 365 2.697 14.798 -10.448 1.00 0.00 H new ATOM 0 HG22 THR A 365 2.944 13.041 -10.580 1.00 0.00 H new ATOM 0 HG23 THR A 365 1.751 13.852 -11.622 1.00 0.00 H new