USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 504 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 347 CYS SG : rot 180:sc= 0.759 USER MOD Set 1.2: A 363 LYS NZ :NH3+ -120:sc= 1.06 (180deg=0) USER MOD Set 2.1: A 343 MET CE :methyl -116:sc= -0.17 (180deg=-2.6!) USER MOD Set 2.2: A 344 LYS NZ :NH3+ 173:sc= 0 (180deg=0) USER MOD Set 3.1: A 342 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 345 GLN : amide:sc= 0 X(o=0,f=0.055) USER MOD Set 4.1: A 328 THR OG1 : rot 178:sc= 2.35 USER MOD Set 4.2: A 354 TYR OH : rot 164:sc= -0.039 USER MOD Single : A 321 THR OG1 : rot -83:sc= 1.29 USER MOD Single : A 326 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 330 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 335 SER OG : rot 64:sc= 0.747 USER MOD Single : A 337 ASN : amide:sc= -0.509 K(o=-0.51,f=-3.8!) USER MOD Single : A 348 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 349 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00101) USER MOD Single : A 351 TYR OH : rot -3:sc= 0.0101 USER MOD Single : A 353 ASN :FLIP amide:sc= 0.0157 F(o=-1.4,f=0.016) USER MOD Single : A 356 THR OG1 : rot 180:sc= 0.221 USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 360 THR OG1 : rot -70:sc= 1.15 USER MOD Single : A 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 THR OG1 : rot 95:sc= 0.927 USER MOD Single : A 369 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 375 SER OG : rot 86:sc= 0.0658 USER MOD Single : A 378 HIS : no HD1:sc= -1.01 X(o=-1,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 203 N PRO A 320 11.516 1.948 -6.959 1.00 0.00 N ATOM 204 CA PRO A 320 11.955 0.689 -6.304 1.00 0.00 C ATOM 205 C PRO A 320 12.078 -0.434 -7.336 1.00 0.00 C ATOM 206 O PRO A 320 11.124 -0.787 -8.000 1.00 0.00 O ATOM 207 CB PRO A 320 10.837 0.398 -5.306 1.00 0.00 C ATOM 208 CG PRO A 320 9.636 1.093 -5.860 1.00 0.00 C ATOM 209 CD PRO A 320 10.138 2.303 -6.604 1.00 0.00 C ATOM 0 HA PRO A 320 12.932 0.768 -5.828 1.00 0.00 H new ATOM 0 HB2 PRO A 320 10.663 -0.674 -5.209 1.00 0.00 H new ATOM 0 HB3 PRO A 320 11.087 0.772 -4.313 1.00 0.00 H new ATOM 0 HG2 PRO A 320 9.080 0.433 -6.526 1.00 0.00 H new ATOM 0 HG3 PRO A 320 8.956 1.386 -5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 320 9.536 2.506 -7.490 1.00 0.00 H new ATOM 0 HD3 PRO A 320 10.103 3.198 -5.983 1.00 0.00 H new ATOM 217 N THR A 321 13.249 -0.995 -7.475 1.00 0.00 N ATOM 218 CA THR A 321 13.441 -2.096 -8.464 1.00 0.00 C ATOM 219 C THR A 321 12.242 -3.047 -8.441 1.00 0.00 C ATOM 220 O THR A 321 11.533 -3.142 -7.458 1.00 0.00 O ATOM 221 CB THR A 321 14.709 -2.821 -8.007 1.00 0.00 C ATOM 222 OG1 THR A 321 14.497 -3.369 -6.713 1.00 0.00 O ATOM 223 CG2 THR A 321 15.876 -1.834 -7.960 1.00 0.00 C ATOM 0 H THR A 321 14.082 -0.738 -6.946 1.00 0.00 H new ATOM 0 HA THR A 321 13.528 -1.723 -9.484 1.00 0.00 H new ATOM 0 HB THR A 321 14.943 -3.622 -8.708 1.00 0.00 H new ATOM 0 HG1 THR A 321 14.655 -2.679 -6.036 1.00 0.00 H new ATOM 0 HG21 THR A 321 16.778 -2.352 -7.634 1.00 0.00 H new ATOM 0 HG22 THR A 321 16.037 -1.414 -8.953 1.00 0.00 H new ATOM 0 HG23 THR A 321 15.646 -1.031 -7.259 1.00 0.00 H new ATOM 231 N ASP A 322 12.009 -3.751 -9.515 1.00 0.00 N ATOM 232 CA ASP A 322 10.853 -4.692 -9.550 1.00 0.00 C ATOM 233 C ASP A 322 10.877 -5.604 -8.322 1.00 0.00 C ATOM 234 O ASP A 322 9.849 -5.974 -7.791 1.00 0.00 O ATOM 235 CB ASP A 322 11.043 -5.508 -10.830 1.00 0.00 C ATOM 236 CG ASP A 322 12.331 -6.327 -10.729 1.00 0.00 C ATOM 237 OD1 ASP A 322 13.342 -5.760 -10.348 1.00 0.00 O ATOM 238 OD2 ASP A 322 12.286 -7.507 -11.034 1.00 0.00 O ATOM 0 H ASP A 322 12.567 -3.716 -10.368 1.00 0.00 H new ATOM 0 HA ASP A 322 9.896 -4.171 -9.539 1.00 0.00 H new ATOM 0 HB2 ASP A 322 10.190 -6.170 -10.982 1.00 0.00 H new ATOM 0 HB3 ASP A 322 11.089 -4.844 -11.693 1.00 0.00 H new ATOM 243 N GLU A 323 12.043 -5.968 -7.863 1.00 0.00 N ATOM 244 CA GLU A 323 12.129 -6.855 -6.668 1.00 0.00 C ATOM 245 C GLU A 323 11.524 -6.154 -5.448 1.00 0.00 C ATOM 246 O GLU A 323 10.989 -6.785 -4.559 1.00 0.00 O ATOM 247 CB GLU A 323 13.624 -7.101 -6.460 1.00 0.00 C ATOM 248 CG GLU A 323 13.971 -8.527 -6.890 1.00 0.00 C ATOM 249 CD GLU A 323 15.087 -9.074 -5.998 1.00 0.00 C ATOM 250 OE1 GLU A 323 16.241 -8.890 -6.347 1.00 0.00 O ATOM 251 OE2 GLU A 323 14.768 -9.668 -4.980 1.00 0.00 O ATOM 0 H GLU A 323 12.939 -5.690 -8.263 1.00 0.00 H new ATOM 0 HA GLU A 323 11.581 -7.787 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 323 14.205 -6.384 -7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 323 13.886 -6.952 -5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 323 13.089 -9.164 -6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 323 14.288 -8.536 -7.933 1.00 0.00 H new ATOM 258 N GLU A 324 11.603 -4.852 -5.402 1.00 0.00 N ATOM 259 CA GLU A 324 11.031 -4.111 -4.243 1.00 0.00 C ATOM 260 C GLU A 324 9.508 -4.015 -4.379 1.00 0.00 C ATOM 261 O GLU A 324 8.771 -4.385 -3.488 1.00 0.00 O ATOM 262 CB GLU A 324 11.663 -2.721 -4.309 1.00 0.00 C ATOM 263 CG GLU A 324 12.977 -2.718 -3.525 1.00 0.00 C ATOM 264 CD GLU A 324 13.799 -1.488 -3.909 1.00 0.00 C ATOM 265 OE1 GLU A 324 14.168 -1.383 -5.067 1.00 0.00 O ATOM 266 OE2 GLU A 324 14.046 -0.669 -3.038 1.00 0.00 O ATOM 0 H GLU A 324 12.039 -4.270 -6.117 1.00 0.00 H new ATOM 0 HA GLU A 324 11.236 -4.606 -3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 324 11.846 -2.442 -5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 324 10.979 -1.979 -3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 324 12.773 -2.712 -2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 324 13.541 -3.626 -3.737 1.00 0.00 H new ATOM 273 N LEU A 325 9.033 -3.520 -5.489 1.00 0.00 N ATOM 274 CA LEU A 325 7.559 -3.404 -5.681 1.00 0.00 C ATOM 275 C LEU A 325 6.887 -4.751 -5.407 1.00 0.00 C ATOM 276 O LEU A 325 5.920 -4.837 -4.676 1.00 0.00 O ATOM 277 CB LEU A 325 7.379 -3.003 -7.144 1.00 0.00 C ATOM 278 CG LEU A 325 7.051 -1.512 -7.229 1.00 0.00 C ATOM 279 CD1 LEU A 325 6.916 -1.102 -8.697 1.00 0.00 C ATOM 280 CD2 LEU A 325 5.733 -1.237 -6.502 1.00 0.00 C ATOM 0 H LEU A 325 9.600 -3.191 -6.270 1.00 0.00 H new ATOM 0 HA LEU A 325 7.109 -2.679 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 325 8.288 -3.219 -7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 325 6.579 -3.588 -7.596 1.00 0.00 H new ATOM 0 HG LEU A 325 7.851 -0.938 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 325 6.682 -0.039 -8.758 1.00 0.00 H new ATOM 0 HD12 LEU A 325 7.854 -1.298 -9.217 1.00 0.00 H new ATOM 0 HD13 LEU A 325 6.116 -1.677 -9.163 1.00 0.00 H new ATOM 0 HD21 LEU A 325 5.499 -0.174 -6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 325 4.933 -1.812 -6.969 1.00 0.00 H new ATOM 0 HD23 LEU A 325 5.827 -1.529 -5.456 1.00 0.00 H new ATOM 292 N LYS A 326 7.394 -5.804 -5.985 1.00 0.00 N ATOM 293 CA LYS A 326 6.787 -7.147 -5.757 1.00 0.00 C ATOM 294 C LYS A 326 6.831 -7.495 -4.267 1.00 0.00 C ATOM 295 O LYS A 326 5.831 -7.850 -3.675 1.00 0.00 O ATOM 296 CB LYS A 326 7.656 -8.116 -6.561 1.00 0.00 C ATOM 297 CG LYS A 326 6.814 -9.308 -7.022 1.00 0.00 C ATOM 298 CD LYS A 326 6.242 -10.041 -5.805 1.00 0.00 C ATOM 299 CE LYS A 326 7.380 -10.702 -5.023 1.00 0.00 C ATOM 300 NZ LYS A 326 7.505 -12.067 -5.606 1.00 0.00 N ATOM 0 H LYS A 326 8.203 -5.794 -6.606 1.00 0.00 H new ATOM 0 HA LYS A 326 5.742 -7.188 -6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 326 8.083 -7.605 -7.424 1.00 0.00 H new ATOM 0 HB3 LYS A 326 8.490 -8.463 -5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 326 6.004 -8.965 -7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 326 7.425 -9.989 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 326 5.706 -9.341 -5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 326 5.522 -10.794 -6.126 1.00 0.00 H new ATOM 0 HE2 LYS A 326 8.309 -10.141 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 326 7.153 -10.747 -3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 326 8.266 -12.583 -5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 326 6.608 -12.579 -5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 326 7.728 -11.993 -6.619 1.00 0.00 H new ATOM 314 N GLU A 327 7.979 -7.395 -3.657 1.00 0.00 N ATOM 315 CA GLU A 327 8.080 -7.719 -2.205 1.00 0.00 C ATOM 316 C GLU A 327 6.966 -7.010 -1.431 1.00 0.00 C ATOM 317 O GLU A 327 6.207 -7.629 -0.712 1.00 0.00 O ATOM 318 CB GLU A 327 9.452 -7.195 -1.776 1.00 0.00 C ATOM 319 CG GLU A 327 9.543 -7.192 -0.249 1.00 0.00 C ATOM 320 CD GLU A 327 10.997 -7.400 0.176 1.00 0.00 C ATOM 321 OE1 GLU A 327 11.545 -8.441 -0.147 1.00 0.00 O ATOM 322 OE2 GLU A 327 11.540 -6.514 0.816 1.00 0.00 O ATOM 0 H GLU A 327 8.851 -7.104 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 327 7.974 -8.786 -2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 327 10.240 -7.820 -2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 327 9.605 -6.187 -2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 327 9.169 -6.248 0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 327 8.916 -7.981 0.165 1.00 0.00 H new ATOM 329 N THR A 328 6.863 -5.717 -1.574 1.00 0.00 N ATOM 330 CA THR A 328 5.795 -4.971 -0.848 1.00 0.00 C ATOM 331 C THR A 328 4.451 -5.686 -1.004 1.00 0.00 C ATOM 332 O THR A 328 3.730 -5.892 -0.048 1.00 0.00 O ATOM 333 CB THR A 328 5.752 -3.594 -1.514 1.00 0.00 C ATOM 334 OG1 THR A 328 6.891 -2.841 -1.120 1.00 0.00 O ATOM 335 CG2 THR A 328 4.480 -2.860 -1.090 1.00 0.00 C ATOM 0 H THR A 328 7.471 -5.145 -2.161 1.00 0.00 H new ATOM 0 HA THR A 328 5.994 -4.900 0.221 1.00 0.00 H new ATOM 0 HB THR A 328 5.755 -3.715 -2.597 1.00 0.00 H new ATOM 0 HG1 THR A 328 6.878 -1.969 -1.568 1.00 0.00 H new ATOM 0 HG21 THR A 328 4.450 -1.879 -1.565 1.00 0.00 H new ATOM 0 HG22 THR A 328 3.608 -3.438 -1.396 1.00 0.00 H new ATOM 0 HG23 THR A 328 4.474 -2.739 -0.007 1.00 0.00 H new ATOM 343 N ILE A 329 4.108 -6.069 -2.204 1.00 0.00 N ATOM 344 CA ILE A 329 2.810 -6.769 -2.415 1.00 0.00 C ATOM 345 C ILE A 329 2.812 -8.114 -1.685 1.00 0.00 C ATOM 346 O ILE A 329 1.876 -8.452 -0.987 1.00 0.00 O ATOM 347 CB ILE A 329 2.702 -6.979 -3.923 1.00 0.00 C ATOM 348 CG1 ILE A 329 2.863 -5.634 -4.639 1.00 0.00 C ATOM 349 CG2 ILE A 329 1.330 -7.566 -4.251 1.00 0.00 C ATOM 350 CD1 ILE A 329 3.532 -5.854 -5.997 1.00 0.00 C ATOM 0 H ILE A 329 4.669 -5.928 -3.044 1.00 0.00 H new ATOM 0 HA ILE A 329 1.968 -6.195 -2.027 1.00 0.00 H new ATOM 0 HB ILE A 329 3.484 -7.662 -4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 329 1.889 -5.163 -4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 329 3.463 -4.957 -4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 329 1.247 -7.718 -5.327 1.00 0.00 H new ATOM 0 HG22 ILE A 329 1.211 -8.521 -3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 329 0.552 -6.878 -3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 329 3.646 -4.897 -6.506 1.00 0.00 H new ATOM 0 HD12 ILE A 329 4.513 -6.306 -5.850 1.00 0.00 H new ATOM 0 HD13 ILE A 329 2.914 -6.516 -6.604 1.00 0.00 H new ATOM 362 N LYS A 330 3.858 -8.883 -1.830 1.00 0.00 N ATOM 363 CA LYS A 330 3.909 -10.197 -1.133 1.00 0.00 C ATOM 364 C LYS A 330 3.548 -10.007 0.341 1.00 0.00 C ATOM 365 O LYS A 330 3.110 -10.922 1.009 1.00 0.00 O ATOM 366 CB LYS A 330 5.355 -10.672 -1.283 1.00 0.00 C ATOM 367 CG LYS A 330 5.582 -11.898 -0.399 1.00 0.00 C ATOM 368 CD LYS A 330 6.186 -11.456 0.934 1.00 0.00 C ATOM 369 CE LYS A 330 7.158 -12.527 1.435 1.00 0.00 C ATOM 370 NZ LYS A 330 8.477 -12.147 0.858 1.00 0.00 N ATOM 0 H LYS A 330 4.675 -8.658 -2.398 1.00 0.00 H new ATOM 0 HA LYS A 330 3.207 -10.921 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 330 5.562 -10.918 -2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 330 6.042 -9.874 -1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 330 4.639 -12.418 -0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 330 6.249 -12.602 -0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 330 6.706 -10.506 0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 330 5.396 -11.295 1.668 1.00 0.00 H new ATOM 0 HE2 LYS A 330 7.195 -12.549 2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 330 6.854 -13.521 1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 9.198 -12.835 1.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 8.413 -12.141 -0.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 8.743 -11.199 1.194 1.00 0.00 H new ATOM 384 N LYS A 331 3.720 -8.816 0.849 1.00 0.00 N ATOM 385 CA LYS A 331 3.376 -8.555 2.274 1.00 0.00 C ATOM 386 C LYS A 331 1.883 -8.246 2.392 1.00 0.00 C ATOM 387 O LYS A 331 1.252 -8.540 3.388 1.00 0.00 O ATOM 388 CB LYS A 331 4.210 -7.334 2.669 1.00 0.00 C ATOM 389 CG LYS A 331 5.385 -7.779 3.540 1.00 0.00 C ATOM 390 CD LYS A 331 6.696 -7.314 2.904 1.00 0.00 C ATOM 391 CE LYS A 331 7.875 -7.809 3.746 1.00 0.00 C ATOM 392 NZ LYS A 331 8.643 -6.580 4.093 1.00 0.00 N ATOM 0 H LYS A 331 4.084 -8.013 0.337 1.00 0.00 H new ATOM 0 HA LYS A 331 3.584 -9.409 2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 331 4.577 -6.827 1.777 1.00 0.00 H new ATOM 0 HB3 LYS A 331 3.592 -6.618 3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 331 5.287 -7.362 4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 331 5.384 -8.864 3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 331 6.775 -7.697 1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 331 6.714 -6.226 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 331 7.531 -8.326 4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 331 8.490 -8.515 3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 9.468 -6.838 4.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 8.963 -6.113 3.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 8.034 -5.930 4.630 1.00 0.00 H new ATOM 406 N LEU A 332 1.314 -7.658 1.375 1.00 0.00 N ATOM 407 CA LEU A 332 -0.141 -7.335 1.418 1.00 0.00 C ATOM 408 C LEU A 332 -0.960 -8.625 1.319 1.00 0.00 C ATOM 409 O LEU A 332 -1.671 -8.992 2.233 1.00 0.00 O ATOM 410 CB LEU A 332 -0.390 -6.449 0.194 1.00 0.00 C ATOM 411 CG LEU A 332 0.570 -5.257 0.210 1.00 0.00 C ATOM 412 CD1 LEU A 332 0.548 -4.568 -1.156 1.00 0.00 C ATOM 413 CD2 LEU A 332 0.133 -4.263 1.287 1.00 0.00 C ATOM 0 H LEU A 332 1.793 -7.387 0.516 1.00 0.00 H new ATOM 0 HA LEU A 332 -0.430 -6.837 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 332 -0.250 -7.028 -0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 332 -1.421 -6.096 0.193 1.00 0.00 H new ATOM 0 HG LEU A 332 1.579 -5.607 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 332 1.231 -3.719 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 332 0.859 -5.275 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 332 -0.462 -4.219 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 332 0.817 -3.414 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 332 -0.876 -3.913 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 332 0.146 -4.752 2.261 1.00 0.00 H new ATOM 425 N LEU A 333 -0.860 -9.315 0.216 1.00 0.00 N ATOM 426 CA LEU A 333 -1.627 -10.585 0.055 1.00 0.00 C ATOM 427 C LEU A 333 -1.262 -11.570 1.170 1.00 0.00 C ATOM 428 O LEU A 333 -2.101 -12.295 1.667 1.00 0.00 O ATOM 429 CB LEU A 333 -1.211 -11.136 -1.312 1.00 0.00 C ATOM 430 CG LEU A 333 0.315 -11.128 -1.437 1.00 0.00 C ATOM 431 CD1 LEU A 333 0.842 -12.561 -1.361 1.00 0.00 C ATOM 432 CD2 LEU A 333 0.712 -10.509 -2.780 1.00 0.00 C ATOM 0 H LEU A 333 -0.280 -9.055 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 333 -2.704 -10.425 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -1.589 -12.151 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -1.652 -10.533 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 333 0.743 -10.541 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 333 1.928 -12.554 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 333 0.559 -13.003 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 333 0.415 -13.149 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 333 1.798 -10.502 -2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 333 0.284 -11.096 -3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 333 0.337 -9.487 -2.835 1.00 0.00 H new ATOM 444 N ALA A 334 -0.018 -11.605 1.565 1.00 0.00 N ATOM 445 CA ALA A 334 0.397 -12.545 2.646 1.00 0.00 C ATOM 446 C ALA A 334 -0.482 -12.352 3.885 1.00 0.00 C ATOM 447 O ALA A 334 -0.545 -13.203 4.751 1.00 0.00 O ATOM 448 CB ALA A 334 1.847 -12.172 2.956 1.00 0.00 C ATOM 0 H ALA A 334 0.729 -11.023 1.186 1.00 0.00 H new ATOM 0 HA ALA A 334 0.297 -13.588 2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 334 2.229 -12.820 3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 334 2.454 -12.296 2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 334 1.893 -11.134 3.285 1.00 0.00 H new ATOM 454 N SER A 335 -1.163 -11.241 3.979 1.00 0.00 N ATOM 455 CA SER A 335 -2.034 -11.000 5.165 1.00 0.00 C ATOM 456 C SER A 335 -3.415 -10.515 4.716 1.00 0.00 C ATOM 457 O SER A 335 -3.893 -9.486 5.148 1.00 0.00 O ATOM 458 CB SER A 335 -1.318 -9.914 5.967 1.00 0.00 C ATOM 459 OG SER A 335 -1.406 -8.679 5.267 1.00 0.00 O ATOM 0 H SER A 335 -1.154 -10.492 3.287 1.00 0.00 H new ATOM 0 HA SER A 335 -2.191 -11.904 5.754 1.00 0.00 H new ATOM 0 HB2 SER A 335 -1.769 -9.818 6.955 1.00 0.00 H new ATOM 0 HB3 SER A 335 -0.273 -10.186 6.118 1.00 0.00 H new ATOM 0 HG SER A 335 -2.344 -8.399 5.213 1.00 0.00 H new ATOM 465 N ALA A 336 -4.060 -11.250 3.850 1.00 0.00 N ATOM 466 CA ALA A 336 -5.409 -10.829 3.375 1.00 0.00 C ATOM 467 C ALA A 336 -6.013 -11.908 2.472 1.00 0.00 C ATOM 468 O ALA A 336 -5.307 -12.659 1.828 1.00 0.00 O ATOM 469 CB ALA A 336 -5.167 -9.544 2.585 1.00 0.00 C ATOM 0 H ALA A 336 -3.712 -12.122 3.452 1.00 0.00 H new ATOM 0 HA ALA A 336 -6.107 -10.677 4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -6.116 -9.169 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -4.719 -8.795 3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -4.494 -9.750 1.753 1.00 0.00 H new ATOM 475 N ASN A 337 -7.314 -11.989 2.417 1.00 0.00 N ATOM 476 CA ASN A 337 -7.959 -13.018 1.554 1.00 0.00 C ATOM 477 C ASN A 337 -7.857 -12.610 0.083 1.00 0.00 C ATOM 478 O ASN A 337 -8.500 -11.678 -0.359 1.00 0.00 O ATOM 479 CB ASN A 337 -9.420 -13.055 2.003 1.00 0.00 C ATOM 480 CG ASN A 337 -9.712 -14.397 2.674 1.00 0.00 C ATOM 481 OD1 ASN A 337 -8.847 -15.245 2.766 1.00 0.00 O ATOM 482 ND2 ASN A 337 -10.904 -14.628 3.153 1.00 0.00 N ATOM 0 H ASN A 337 -7.957 -11.388 2.932 1.00 0.00 H new ATOM 0 HA ASN A 337 -7.482 -13.994 1.647 1.00 0.00 H new ATOM 0 HB2 ASN A 337 -9.619 -12.238 2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 337 -10.079 -12.913 1.146 1.00 0.00 H new ATOM 0 HD21 ASN A 337 -11.108 -15.520 3.604 1.00 0.00 H new ATOM 0 HD22 ASN A 337 -11.631 -13.917 3.076 1.00 0.00 H new ATOM 489 N LEU A 338 -7.053 -13.299 -0.678 1.00 0.00 N ATOM 490 CA LEU A 338 -6.909 -12.953 -2.119 1.00 0.00 C ATOM 491 C LEU A 338 -8.286 -12.692 -2.738 1.00 0.00 C ATOM 492 O LEU A 338 -8.499 -11.701 -3.408 1.00 0.00 O ATOM 493 CB LEU A 338 -6.254 -14.178 -2.761 1.00 0.00 C ATOM 494 CG LEU A 338 -4.943 -14.509 -2.038 1.00 0.00 C ATOM 495 CD1 LEU A 338 -4.109 -15.453 -2.907 1.00 0.00 C ATOM 496 CD2 LEU A 338 -4.150 -13.222 -1.784 1.00 0.00 C ATOM 0 H LEU A 338 -6.489 -14.088 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 338 -6.316 -12.051 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 338 -6.931 -15.031 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 338 -6.059 -13.986 -3.816 1.00 0.00 H new ATOM 0 HG LEU A 338 -5.169 -14.987 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 338 -3.176 -15.690 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 338 -4.668 -16.371 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 338 -3.888 -14.971 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 338 -3.220 -13.463 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 338 -3.925 -12.740 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 338 -4.741 -12.546 -1.166 1.00 0.00 H new ATOM 508 N GLU A 339 -9.221 -13.576 -2.516 1.00 0.00 N ATOM 509 CA GLU A 339 -10.585 -13.381 -3.089 1.00 0.00 C ATOM 510 C GLU A 339 -11.149 -12.020 -2.666 1.00 0.00 C ATOM 511 O GLU A 339 -12.095 -11.524 -3.245 1.00 0.00 O ATOM 512 CB GLU A 339 -11.424 -14.517 -2.499 1.00 0.00 C ATOM 513 CG GLU A 339 -12.516 -14.919 -3.494 1.00 0.00 C ATOM 514 CD GLU A 339 -13.075 -16.291 -3.108 1.00 0.00 C ATOM 515 OE1 GLU A 339 -13.768 -16.366 -2.108 1.00 0.00 O ATOM 516 OE2 GLU A 339 -12.799 -17.242 -3.820 1.00 0.00 O ATOM 0 H GLU A 339 -9.100 -14.424 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 339 -10.583 -13.397 -4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -10.788 -15.374 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -11.874 -14.200 -1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 339 -13.314 -14.176 -3.495 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -12.109 -14.951 -4.505 1.00 0.00 H new ATOM 523 N GLU A 340 -10.577 -11.414 -1.662 1.00 0.00 N ATOM 524 CA GLU A 340 -11.083 -10.086 -1.206 1.00 0.00 C ATOM 525 C GLU A 340 -10.069 -8.988 -1.539 1.00 0.00 C ATOM 526 O GLU A 340 -10.047 -7.943 -0.920 1.00 0.00 O ATOM 527 CB GLU A 340 -11.245 -10.222 0.308 1.00 0.00 C ATOM 528 CG GLU A 340 -12.177 -9.124 0.821 1.00 0.00 C ATOM 529 CD GLU A 340 -13.015 -9.665 1.981 1.00 0.00 C ATOM 530 OE1 GLU A 340 -12.584 -10.623 2.601 1.00 0.00 O ATOM 531 OE2 GLU A 340 -14.074 -9.112 2.230 1.00 0.00 O ATOM 0 H GLU A 340 -9.782 -11.779 -1.138 1.00 0.00 H new ATOM 0 HA GLU A 340 -12.018 -9.813 -1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -11.651 -11.203 0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -10.274 -10.147 0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -11.595 -8.263 1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -12.828 -8.781 0.017 1.00 0.00 H new ATOM 538 N VAL A 341 -9.231 -9.216 -2.513 1.00 0.00 N ATOM 539 CA VAL A 341 -8.220 -8.183 -2.884 1.00 0.00 C ATOM 540 C VAL A 341 -8.485 -7.672 -4.303 1.00 0.00 C ATOM 541 O VAL A 341 -8.451 -8.422 -5.259 1.00 0.00 O ATOM 542 CB VAL A 341 -6.875 -8.905 -2.812 1.00 0.00 C ATOM 543 CG1 VAL A 341 -5.748 -7.922 -3.136 1.00 0.00 C ATOM 544 CG2 VAL A 341 -6.673 -9.465 -1.402 1.00 0.00 C ATOM 0 H VAL A 341 -9.202 -10.071 -3.068 1.00 0.00 H new ATOM 0 HA VAL A 341 -8.251 -7.315 -2.225 1.00 0.00 H new ATOM 0 HB VAL A 341 -6.862 -9.721 -3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 341 -4.789 -8.438 -3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 341 -5.891 -7.522 -4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 341 -5.760 -7.105 -2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 341 -5.714 -9.980 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 341 -6.686 -8.648 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 341 -7.475 -10.166 -1.171 1.00 0.00 H new ATOM 554 N THR A 342 -8.749 -6.402 -4.447 1.00 0.00 N ATOM 555 CA THR A 342 -9.017 -5.845 -5.806 1.00 0.00 C ATOM 556 C THR A 342 -7.920 -4.849 -6.197 1.00 0.00 C ATOM 557 O THR A 342 -6.973 -4.636 -5.467 1.00 0.00 O ATOM 558 CB THR A 342 -10.366 -5.133 -5.683 1.00 0.00 C ATOM 559 OG1 THR A 342 -10.249 -4.054 -4.767 1.00 0.00 O ATOM 560 CG2 THR A 342 -11.422 -6.119 -5.182 1.00 0.00 C ATOM 0 H THR A 342 -8.791 -5.726 -3.684 1.00 0.00 H new ATOM 0 HA THR A 342 -9.031 -6.619 -6.573 1.00 0.00 H new ATOM 0 HB THR A 342 -10.665 -4.750 -6.659 1.00 0.00 H new ATOM 0 HG1 THR A 342 -11.112 -3.596 -4.689 1.00 0.00 H new ATOM 0 HG21 THR A 342 -12.382 -5.611 -5.095 1.00 0.00 H new ATOM 0 HG22 THR A 342 -11.512 -6.945 -5.887 1.00 0.00 H new ATOM 0 HG23 THR A 342 -11.126 -6.505 -4.207 1.00 0.00 H new ATOM 568 N MET A 343 -8.042 -4.241 -7.344 1.00 0.00 N ATOM 569 CA MET A 343 -7.008 -3.260 -7.784 1.00 0.00 C ATOM 570 C MET A 343 -7.008 -2.040 -6.859 1.00 0.00 C ATOM 571 O MET A 343 -6.008 -1.370 -6.699 1.00 0.00 O ATOM 572 CB MET A 343 -7.418 -2.858 -9.201 1.00 0.00 C ATOM 573 CG MET A 343 -8.734 -2.081 -9.153 1.00 0.00 C ATOM 574 SD MET A 343 -9.112 -1.430 -10.798 1.00 0.00 S ATOM 575 CE MET A 343 -8.146 0.094 -10.667 1.00 0.00 C ATOM 0 H MET A 343 -8.813 -4.380 -7.997 1.00 0.00 H new ATOM 0 HA MET A 343 -6.003 -3.680 -7.755 1.00 0.00 H new ATOM 0 HB2 MET A 343 -6.639 -2.246 -9.656 1.00 0.00 H new ATOM 0 HB3 MET A 343 -7.531 -3.746 -9.824 1.00 0.00 H new ATOM 0 HG2 MET A 343 -9.540 -2.731 -8.814 1.00 0.00 H new ATOM 0 HG3 MET A 343 -8.660 -1.264 -8.435 1.00 0.00 H new ATOM 0 HE1 MET A 343 -8.814 0.954 -10.715 1.00 0.00 H new ATOM 0 HE2 MET A 343 -7.609 0.104 -9.718 1.00 0.00 H new ATOM 0 HE3 MET A 343 -7.432 0.144 -11.489 1.00 0.00 H new ATOM 585 N LYS A 344 -8.124 -1.746 -6.250 1.00 0.00 N ATOM 586 CA LYS A 344 -8.189 -0.568 -5.338 1.00 0.00 C ATOM 587 C LYS A 344 -7.348 -0.820 -4.083 1.00 0.00 C ATOM 588 O LYS A 344 -6.739 0.080 -3.541 1.00 0.00 O ATOM 589 CB LYS A 344 -9.668 -0.430 -4.972 1.00 0.00 C ATOM 590 CG LYS A 344 -10.507 -0.372 -6.249 1.00 0.00 C ATOM 591 CD LYS A 344 -10.732 1.088 -6.645 1.00 0.00 C ATOM 592 CE LYS A 344 -9.885 1.421 -7.874 1.00 0.00 C ATOM 593 NZ LYS A 344 -10.866 1.800 -8.928 1.00 0.00 N ATOM 0 H LYS A 344 -8.994 -2.270 -6.344 1.00 0.00 H new ATOM 0 HA LYS A 344 -7.798 0.336 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 344 -9.981 -1.273 -4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 344 -9.824 0.472 -4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 344 -10.001 -0.904 -7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 344 -11.464 -0.869 -6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 344 -11.787 1.259 -6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 344 -10.465 1.745 -5.818 1.00 0.00 H new ATOM 0 HE2 LYS A 344 -9.193 2.238 -7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 344 -9.285 0.565 -8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 344 -10.358 2.155 -9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 344 -11.429 0.967 -9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 344 -11.497 2.543 -8.564 1.00 0.00 H new ATOM 607 N GLN A 345 -7.314 -2.037 -3.615 1.00 0.00 N ATOM 608 CA GLN A 345 -6.516 -2.345 -2.393 1.00 0.00 C ATOM 609 C GLN A 345 -5.022 -2.405 -2.731 1.00 0.00 C ATOM 610 O GLN A 345 -4.194 -1.870 -2.021 1.00 0.00 O ATOM 611 CB GLN A 345 -7.017 -3.713 -1.928 1.00 0.00 C ATOM 612 CG GLN A 345 -8.075 -3.527 -0.838 1.00 0.00 C ATOM 613 CD GLN A 345 -9.459 -3.416 -1.480 1.00 0.00 C ATOM 614 OE1 GLN A 345 -9.855 -2.354 -1.917 1.00 0.00 O ATOM 615 NE2 GLN A 345 -10.216 -4.476 -1.555 1.00 0.00 N ATOM 0 H GLN A 345 -7.804 -2.832 -4.025 1.00 0.00 H new ATOM 0 HA GLN A 345 -6.633 -1.583 -1.622 1.00 0.00 H new ATOM 0 HB2 GLN A 345 -7.439 -4.262 -2.769 1.00 0.00 H new ATOM 0 HB3 GLN A 345 -6.186 -4.305 -1.545 1.00 0.00 H new ATOM 0 HG2 GLN A 345 -8.051 -4.369 -0.146 1.00 0.00 H new ATOM 0 HG3 GLN A 345 -7.859 -2.630 -0.257 1.00 0.00 H new ATOM 0 HE21 GLN A 345 -9.883 -5.368 -1.188 1.00 0.00 H new ATOM 0 HE22 GLN A 345 -11.141 -4.413 -1.981 1.00 0.00 H new ATOM 624 N ILE A 346 -4.672 -3.055 -3.807 1.00 0.00 N ATOM 625 CA ILE A 346 -3.232 -3.154 -4.186 1.00 0.00 C ATOM 626 C ILE A 346 -2.676 -1.774 -4.553 1.00 0.00 C ATOM 627 O ILE A 346 -1.519 -1.482 -4.325 1.00 0.00 O ATOM 628 CB ILE A 346 -3.210 -4.083 -5.399 1.00 0.00 C ATOM 629 CG1 ILE A 346 -3.718 -5.470 -4.993 1.00 0.00 C ATOM 630 CG2 ILE A 346 -1.780 -4.202 -5.930 1.00 0.00 C ATOM 631 CD1 ILE A 346 -3.072 -5.891 -3.670 1.00 0.00 C ATOM 0 H ILE A 346 -5.320 -3.522 -4.441 1.00 0.00 H new ATOM 0 HA ILE A 346 -2.616 -3.530 -3.369 1.00 0.00 H new ATOM 0 HB ILE A 346 -3.854 -3.673 -6.177 1.00 0.00 H new ATOM 0 HG12 ILE A 346 -4.803 -5.454 -4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 346 -3.482 -6.196 -5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 346 -1.767 -4.865 -6.795 1.00 0.00 H new ATOM 0 HG22 ILE A 346 -1.417 -3.217 -6.223 1.00 0.00 H new ATOM 0 HG23 ILE A 346 -1.135 -4.609 -5.151 1.00 0.00 H new ATOM 0 HD11 ILE A 346 -3.436 -6.878 -3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 346 -1.989 -5.924 -3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 346 -3.330 -5.171 -2.894 1.00 0.00 H new ATOM 643 N CYS A 347 -3.485 -0.924 -5.123 1.00 0.00 N ATOM 644 CA CYS A 347 -2.991 0.431 -5.506 1.00 0.00 C ATOM 645 C CYS A 347 -2.865 1.324 -4.267 1.00 0.00 C ATOM 646 O CYS A 347 -1.905 2.051 -4.110 1.00 0.00 O ATOM 647 CB CYS A 347 -4.049 0.984 -6.460 1.00 0.00 C ATOM 648 SG CYS A 347 -3.657 0.480 -8.154 1.00 0.00 S ATOM 0 H CYS A 347 -4.465 -1.107 -5.340 1.00 0.00 H new ATOM 0 HA CYS A 347 -2.005 0.393 -5.968 1.00 0.00 H new ATOM 0 HB2 CYS A 347 -5.036 0.616 -6.179 1.00 0.00 H new ATOM 0 HB3 CYS A 347 -4.083 2.071 -6.391 1.00 0.00 H new ATOM 0 HG CYS A 347 -4.558 0.948 -8.966 1.00 0.00 H new ATOM 654 N LYS A 348 -3.827 1.276 -3.387 1.00 0.00 N ATOM 655 CA LYS A 348 -3.759 2.126 -2.162 1.00 0.00 C ATOM 656 C LYS A 348 -2.653 1.624 -1.228 1.00 0.00 C ATOM 657 O LYS A 348 -1.875 2.396 -0.704 1.00 0.00 O ATOM 658 CB LYS A 348 -5.129 1.979 -1.500 1.00 0.00 C ATOM 659 CG LYS A 348 -5.538 3.313 -0.872 1.00 0.00 C ATOM 660 CD LYS A 348 -5.898 4.308 -1.977 1.00 0.00 C ATOM 661 CE LYS A 348 -5.244 5.660 -1.680 1.00 0.00 C ATOM 662 NZ LYS A 348 -6.146 6.322 -0.696 1.00 0.00 N ATOM 0 H LYS A 348 -4.656 0.687 -3.462 1.00 0.00 H new ATOM 0 HA LYS A 348 -3.529 3.166 -2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 348 -5.870 1.670 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 348 -5.095 1.201 -0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 348 -6.389 3.168 -0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 348 -4.723 3.707 -0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 348 -5.560 3.933 -2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 348 -6.980 4.422 -2.040 1.00 0.00 H new ATOM 0 HE2 LYS A 348 -4.242 5.531 -1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 348 -5.144 6.257 -2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 -5.761 7.255 -0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 -7.091 6.438 -1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 -6.216 5.735 0.160 1.00 0.00 H new ATOM 676 N LYS A 349 -2.576 0.339 -1.015 1.00 0.00 N ATOM 677 CA LYS A 349 -1.519 -0.206 -0.114 1.00 0.00 C ATOM 678 C LYS A 349 -0.137 -0.016 -0.746 1.00 0.00 C ATOM 679 O LYS A 349 0.712 0.674 -0.211 1.00 0.00 O ATOM 680 CB LYS A 349 -1.846 -1.692 0.027 1.00 0.00 C ATOM 681 CG LYS A 349 -2.551 -1.934 1.363 1.00 0.00 C ATOM 682 CD LYS A 349 -3.774 -2.826 1.142 1.00 0.00 C ATOM 683 CE LYS A 349 -4.519 -3.009 2.467 1.00 0.00 C ATOM 684 NZ LYS A 349 -3.822 -4.135 3.147 1.00 0.00 N ATOM 0 H LYS A 349 -3.198 -0.357 -1.425 1.00 0.00 H new ATOM 0 HA LYS A 349 -1.498 0.299 0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -2.483 -2.015 -0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -0.932 -2.283 -0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -1.866 -2.406 2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -2.855 -0.984 1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -4.435 -2.378 0.400 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -3.465 -3.795 0.750 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -4.483 -2.101 3.069 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -5.571 -3.239 2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -4.286 -4.332 4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -3.864 -4.983 2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -2.828 -3.878 3.314 1.00 0.00 H new ATOM 698 N VAL A 350 0.096 -0.617 -1.882 1.00 0.00 N ATOM 699 CA VAL A 350 1.421 -0.461 -2.544 1.00 0.00 C ATOM 700 C VAL A 350 1.853 1.006 -2.488 1.00 0.00 C ATOM 701 O VAL A 350 2.999 1.318 -2.234 1.00 0.00 O ATOM 702 CB VAL A 350 1.200 -0.906 -3.989 1.00 0.00 C ATOM 703 CG1 VAL A 350 2.408 -0.510 -4.838 1.00 0.00 C ATOM 704 CG2 VAL A 350 1.025 -2.426 -4.029 1.00 0.00 C ATOM 0 H VAL A 350 -0.572 -1.207 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 350 2.203 -1.046 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 350 0.307 -0.424 -4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 350 2.249 -0.828 -5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 350 2.535 0.572 -4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 350 3.303 -0.991 -4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 350 0.867 -2.747 -5.059 1.00 0.00 H new ATOM 0 HG22 VAL A 350 1.920 -2.906 -3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 350 0.163 -2.709 -3.424 1.00 0.00 H new ATOM 714 N TYR A 351 0.936 1.906 -2.711 1.00 0.00 N ATOM 715 CA TYR A 351 1.285 3.353 -2.657 1.00 0.00 C ATOM 716 C TYR A 351 1.800 3.701 -1.259 1.00 0.00 C ATOM 717 O TYR A 351 2.773 4.411 -1.102 1.00 0.00 O ATOM 718 CB TYR A 351 -0.024 4.087 -2.944 1.00 0.00 C ATOM 719 CG TYR A 351 0.013 4.669 -4.337 1.00 0.00 C ATOM 720 CD1 TYR A 351 0.794 4.067 -5.333 1.00 0.00 C ATOM 721 CD2 TYR A 351 -0.736 5.813 -4.634 1.00 0.00 C ATOM 722 CE1 TYR A 351 0.824 4.610 -6.622 1.00 0.00 C ATOM 723 CE2 TYR A 351 -0.706 6.356 -5.923 1.00 0.00 C ATOM 724 CZ TYR A 351 0.074 5.755 -6.917 1.00 0.00 C ATOM 725 OH TYR A 351 0.104 6.291 -8.188 1.00 0.00 O ATOM 0 H TYR A 351 -0.040 1.702 -2.928 1.00 0.00 H new ATOM 0 HA TYR A 351 2.064 3.625 -3.369 1.00 0.00 H new ATOM 0 HB2 TYR A 351 -0.865 3.401 -2.849 1.00 0.00 H new ATOM 0 HB3 TYR A 351 -0.175 4.880 -2.212 1.00 0.00 H new ATOM 0 HD1 TYR A 351 1.373 3.184 -5.105 1.00 0.00 H new ATOM 0 HD2 TYR A 351 -1.338 6.277 -3.867 1.00 0.00 H new ATOM 0 HE1 TYR A 351 1.426 4.146 -7.390 1.00 0.00 H new ATOM 0 HE2 TYR A 351 -1.285 7.239 -6.151 1.00 0.00 H new ATOM 0 HH TYR A 351 0.732 5.782 -8.743 1.00 0.00 H new ATOM 735 N GLU A 352 1.157 3.195 -0.241 1.00 0.00 N ATOM 736 CA GLU A 352 1.615 3.485 1.146 1.00 0.00 C ATOM 737 C GLU A 352 3.118 3.225 1.254 1.00 0.00 C ATOM 738 O GLU A 352 3.851 3.989 1.850 1.00 0.00 O ATOM 739 CB GLU A 352 0.834 2.515 2.034 1.00 0.00 C ATOM 740 CG GLU A 352 0.390 3.234 3.309 1.00 0.00 C ATOM 741 CD GLU A 352 1.608 3.498 4.197 1.00 0.00 C ATOM 742 OE1 GLU A 352 2.222 2.535 4.626 1.00 0.00 O ATOM 743 OE2 GLU A 352 1.906 4.657 4.431 1.00 0.00 O ATOM 0 H GLU A 352 0.336 2.594 -0.311 1.00 0.00 H new ATOM 0 HA GLU A 352 1.444 4.522 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 352 -0.035 2.134 1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 352 1.455 1.656 2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 352 -0.100 4.174 3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 352 -0.340 2.628 3.846 1.00 0.00 H new ATOM 750 N ASN A 353 3.584 2.152 0.671 1.00 0.00 N ATOM 751 CA ASN A 353 5.043 1.845 0.731 1.00 0.00 C ATOM 752 C ASN A 353 5.774 2.555 -0.413 1.00 0.00 C ATOM 753 O ASN A 353 6.987 2.596 -0.457 1.00 0.00 O ATOM 754 CB ASN A 353 5.144 0.327 0.566 1.00 0.00 C ATOM 755 CG ASN A 353 4.064 -0.356 1.407 1.00 0.00 C ATOM 756 OD1 ASN A 353 2.891 -0.578 0.882 1.00 0.00 O flip ATOM 757 ND2 ASN A 353 4.291 -0.690 2.554 1.00 0.00 N flip ATOM 0 H ASN A 353 3.019 1.476 0.157 1.00 0.00 H new ATOM 0 HA ASN A 353 5.496 2.181 1.664 1.00 0.00 H new ATOM 0 HB2 ASN A 353 5.026 0.057 -0.483 1.00 0.00 H new ATOM 0 HB3 ASN A 353 6.131 -0.017 0.875 1.00 0.00 H new ATOM 0 HD21 ASN A 353 5.209 -0.516 2.964 1.00 0.00 H new ATOM 0 HD22 ASN A 353 3.564 -1.144 3.106 1.00 0.00 H new ATOM 764 N TYR A 354 5.042 3.111 -1.339 1.00 0.00 N ATOM 765 CA TYR A 354 5.690 3.817 -2.482 1.00 0.00 C ATOM 766 C TYR A 354 4.989 5.154 -2.745 1.00 0.00 C ATOM 767 O TYR A 354 4.633 5.458 -3.867 1.00 0.00 O ATOM 768 CB TYR A 354 5.516 2.876 -3.674 1.00 0.00 C ATOM 769 CG TYR A 354 6.307 1.614 -3.435 1.00 0.00 C ATOM 770 CD1 TYR A 354 7.661 1.693 -3.086 1.00 0.00 C ATOM 771 CD2 TYR A 354 5.688 0.365 -3.564 1.00 0.00 C ATOM 772 CE1 TYR A 354 8.395 0.522 -2.863 1.00 0.00 C ATOM 773 CE2 TYR A 354 6.424 -0.806 -3.341 1.00 0.00 C ATOM 774 CZ TYR A 354 7.777 -0.726 -2.991 1.00 0.00 C ATOM 775 OH TYR A 354 8.500 -1.881 -2.771 1.00 0.00 O ATOM 0 H TYR A 354 4.022 3.107 -1.354 1.00 0.00 H new ATOM 0 HA TYR A 354 6.739 4.043 -2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 354 4.462 2.637 -3.812 1.00 0.00 H new ATOM 0 HB3 TYR A 354 5.855 3.363 -4.588 1.00 0.00 H new ATOM 0 HD1 TYR A 354 8.139 2.657 -2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 354 4.644 0.304 -3.835 1.00 0.00 H new ATOM 0 HE1 TYR A 354 9.439 0.582 -2.592 1.00 0.00 H new ATOM 0 HE2 TYR A 354 5.948 -1.770 -3.439 1.00 0.00 H new ATOM 0 HH TYR A 354 7.885 -2.634 -2.647 1.00 0.00 H new ATOM 785 N PRO A 355 4.814 5.908 -1.694 1.00 0.00 N ATOM 786 CA PRO A 355 4.145 7.228 -1.806 1.00 0.00 C ATOM 787 C PRO A 355 5.077 8.255 -2.459 1.00 0.00 C ATOM 788 O PRO A 355 4.728 8.894 -3.431 1.00 0.00 O ATOM 789 CB PRO A 355 3.860 7.606 -0.355 1.00 0.00 C ATOM 790 CG PRO A 355 4.875 6.857 0.450 1.00 0.00 C ATOM 791 CD PRO A 355 5.216 5.605 -0.316 1.00 0.00 C ATOM 0 HA PRO A 355 3.247 7.199 -2.424 1.00 0.00 H new ATOM 0 HB2 PRO A 355 3.952 8.681 -0.203 1.00 0.00 H new ATOM 0 HB3 PRO A 355 2.846 7.329 -0.067 1.00 0.00 H new ATOM 0 HG2 PRO A 355 5.765 7.465 0.609 1.00 0.00 H new ATOM 0 HG3 PRO A 355 4.479 6.610 1.435 1.00 0.00 H new ATOM 0 HD2 PRO A 355 6.280 5.376 -0.252 1.00 0.00 H new ATOM 0 HD3 PRO A 355 4.680 4.740 0.075 1.00 0.00 H new ATOM 799 N THR A 356 6.256 8.422 -1.926 1.00 0.00 N ATOM 800 CA THR A 356 7.207 9.414 -2.509 1.00 0.00 C ATOM 801 C THR A 356 7.487 9.095 -3.981 1.00 0.00 C ATOM 802 O THR A 356 8.011 9.913 -4.711 1.00 0.00 O ATOM 803 CB THR A 356 8.487 9.280 -1.680 1.00 0.00 C ATOM 804 OG1 THR A 356 8.256 8.409 -0.581 1.00 0.00 O ATOM 805 CG2 THR A 356 8.906 10.656 -1.162 1.00 0.00 C ATOM 0 H THR A 356 6.603 7.915 -1.112 1.00 0.00 H new ATOM 0 HA THR A 356 6.804 10.426 -2.479 1.00 0.00 H new ATOM 0 HB THR A 356 9.280 8.870 -2.305 1.00 0.00 H new ATOM 0 HG1 THR A 356 9.077 8.324 -0.053 1.00 0.00 H new ATOM 0 HG21 THR A 356 9.817 10.561 -0.572 1.00 0.00 H new ATOM 0 HG22 THR A 356 9.088 11.322 -2.005 1.00 0.00 H new ATOM 0 HG23 THR A 356 8.112 11.068 -0.539 1.00 0.00 H new ATOM 813 N TYR A 357 7.146 7.916 -4.424 1.00 0.00 N ATOM 814 CA TYR A 357 7.401 7.558 -5.849 1.00 0.00 C ATOM 815 C TYR A 357 6.121 7.712 -6.677 1.00 0.00 C ATOM 816 O TYR A 357 5.028 7.490 -6.196 1.00 0.00 O ATOM 817 CB TYR A 357 7.845 6.094 -5.822 1.00 0.00 C ATOM 818 CG TYR A 357 9.131 5.966 -5.037 1.00 0.00 C ATOM 819 CD1 TYR A 357 10.098 6.977 -5.101 1.00 0.00 C ATOM 820 CD2 TYR A 357 9.356 4.833 -4.245 1.00 0.00 C ATOM 821 CE1 TYR A 357 11.288 6.855 -4.374 1.00 0.00 C ATOM 822 CE2 TYR A 357 10.546 4.711 -3.517 1.00 0.00 C ATOM 823 CZ TYR A 357 11.512 5.723 -3.582 1.00 0.00 C ATOM 824 OH TYR A 357 12.685 5.605 -2.865 1.00 0.00 O ATOM 0 H TYR A 357 6.704 7.187 -3.864 1.00 0.00 H new ATOM 0 HA TYR A 357 8.152 8.204 -6.303 1.00 0.00 H new ATOM 0 HB2 TYR A 357 7.069 5.477 -5.370 1.00 0.00 H new ATOM 0 HB3 TYR A 357 7.990 5.729 -6.839 1.00 0.00 H new ATOM 0 HD1 TYR A 357 9.926 7.851 -5.711 1.00 0.00 H new ATOM 0 HD2 TYR A 357 8.611 4.053 -4.196 1.00 0.00 H new ATOM 0 HE1 TYR A 357 12.034 7.635 -4.424 1.00 0.00 H new ATOM 0 HE2 TYR A 357 10.719 3.837 -2.906 1.00 0.00 H new ATOM 0 HH TYR A 357 12.681 4.761 -2.367 1.00 0.00 H new ATOM 834 N ASP A 358 6.254 8.086 -7.920 1.00 0.00 N ATOM 835 CA ASP A 358 5.051 8.250 -8.787 1.00 0.00 C ATOM 836 C ASP A 358 4.797 6.957 -9.564 1.00 0.00 C ATOM 837 O ASP A 358 4.679 6.958 -10.773 1.00 0.00 O ATOM 838 CB ASP A 358 5.403 9.390 -9.742 1.00 0.00 C ATOM 839 CG ASP A 358 5.808 10.624 -8.935 1.00 0.00 C ATOM 840 OD1 ASP A 358 4.980 11.116 -8.185 1.00 0.00 O ATOM 841 OD2 ASP A 358 6.940 11.057 -9.079 1.00 0.00 O ATOM 0 H ASP A 358 7.145 8.286 -8.374 1.00 0.00 H new ATOM 0 HA ASP A 358 4.149 8.467 -8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 358 6.218 9.089 -10.400 1.00 0.00 H new ATOM 0 HB3 ASP A 358 4.549 9.622 -10.378 1.00 0.00 H new ATOM 846 N LEU A 359 4.726 5.854 -8.874 1.00 0.00 N ATOM 847 CA LEU A 359 4.494 4.552 -9.562 1.00 0.00 C ATOM 848 C LEU A 359 3.343 4.657 -10.565 1.00 0.00 C ATOM 849 O LEU A 359 2.184 4.649 -10.200 1.00 0.00 O ATOM 850 CB LEU A 359 4.131 3.577 -8.445 1.00 0.00 C ATOM 851 CG LEU A 359 5.218 2.510 -8.323 1.00 0.00 C ATOM 852 CD1 LEU A 359 5.420 1.826 -9.677 1.00 0.00 C ATOM 853 CD2 LEU A 359 6.528 3.169 -7.884 1.00 0.00 C ATOM 0 H LEU A 359 4.819 5.797 -7.860 1.00 0.00 H new ATOM 0 HA LEU A 359 5.370 4.234 -10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.025 4.112 -7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 359 3.169 3.109 -8.655 1.00 0.00 H new ATOM 0 HG LEU A 359 4.917 1.767 -7.584 1.00 0.00 H new ATOM 0 HD11 LEU A 359 6.196 1.065 -9.588 1.00 0.00 H new ATOM 0 HD12 LEU A 359 4.487 1.358 -9.991 1.00 0.00 H new ATOM 0 HD13 LEU A 359 5.721 2.567 -10.418 1.00 0.00 H new ATOM 0 HD21 LEU A 359 7.305 2.410 -7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 359 6.828 3.911 -8.624 1.00 0.00 H new ATOM 0 HD23 LEU A 359 6.385 3.655 -6.919 1.00 0.00 H new ATOM 865 N THR A 360 3.657 4.735 -11.826 1.00 0.00 N ATOM 866 CA THR A 360 2.585 4.817 -12.859 1.00 0.00 C ATOM 867 C THR A 360 2.620 3.550 -13.716 1.00 0.00 C ATOM 868 O THR A 360 1.685 2.773 -13.741 1.00 0.00 O ATOM 869 CB THR A 360 2.926 6.048 -13.703 1.00 0.00 C ATOM 870 OG1 THR A 360 4.177 6.581 -13.290 1.00 0.00 O ATOM 871 CG2 THR A 360 1.836 7.106 -13.526 1.00 0.00 C ATOM 0 H THR A 360 4.610 4.746 -12.188 1.00 0.00 H new ATOM 0 HA THR A 360 1.588 4.899 -12.426 1.00 0.00 H new ATOM 0 HB THR A 360 2.986 5.760 -14.753 1.00 0.00 H new ATOM 0 HG1 THR A 360 4.085 6.981 -12.400 1.00 0.00 H new ATOM 0 HG21 THR A 360 2.079 7.982 -14.127 1.00 0.00 H new ATOM 0 HG22 THR A 360 0.878 6.699 -13.849 1.00 0.00 H new ATOM 0 HG23 THR A 360 1.774 7.392 -12.476 1.00 0.00 H new ATOM 879 N GLU A 361 3.708 3.328 -14.401 1.00 0.00 N ATOM 880 CA GLU A 361 3.826 2.103 -15.241 1.00 0.00 C ATOM 881 C GLU A 361 4.106 0.901 -14.339 1.00 0.00 C ATOM 882 O GLU A 361 3.377 -0.073 -14.337 1.00 0.00 O ATOM 883 CB GLU A 361 5.008 2.370 -16.174 1.00 0.00 C ATOM 884 CG GLU A 361 4.820 3.723 -16.864 1.00 0.00 C ATOM 885 CD GLU A 361 4.538 3.502 -18.352 1.00 0.00 C ATOM 886 OE1 GLU A 361 3.534 2.879 -18.657 1.00 0.00 O ATOM 887 OE2 GLU A 361 5.329 3.961 -19.159 1.00 0.00 O ATOM 0 H GLU A 361 4.522 3.943 -14.415 1.00 0.00 H new ATOM 0 HA GLU A 361 2.918 1.885 -15.804 1.00 0.00 H new ATOM 0 HB2 GLU A 361 5.940 2.365 -15.608 1.00 0.00 H new ATOM 0 HB3 GLU A 361 5.083 1.578 -16.919 1.00 0.00 H new ATOM 0 HG2 GLU A 361 3.995 4.267 -16.403 1.00 0.00 H new ATOM 0 HG3 GLU A 361 5.714 4.334 -16.739 1.00 0.00 H new ATOM 894 N ARG A 362 5.147 0.971 -13.554 1.00 0.00 N ATOM 895 CA ARG A 362 5.455 -0.159 -12.638 1.00 0.00 C ATOM 896 C ARG A 362 4.246 -0.404 -11.740 1.00 0.00 C ATOM 897 O ARG A 362 4.025 -1.496 -11.255 1.00 0.00 O ATOM 898 CB ARG A 362 6.660 0.303 -11.819 1.00 0.00 C ATOM 899 CG ARG A 362 7.934 -0.328 -12.387 1.00 0.00 C ATOM 900 CD ARG A 362 8.674 0.699 -13.246 1.00 0.00 C ATOM 901 NE ARG A 362 8.750 0.083 -14.600 1.00 0.00 N ATOM 902 CZ ARG A 362 9.874 -0.428 -15.023 1.00 0.00 C ATOM 903 NH1 ARG A 362 10.272 -1.588 -14.576 1.00 0.00 N ATOM 904 NH2 ARG A 362 10.600 0.220 -15.893 1.00 0.00 N ATOM 0 H ARG A 362 5.793 1.759 -13.509 1.00 0.00 H new ATOM 0 HA ARG A 362 5.673 -1.089 -13.162 1.00 0.00 H new ATOM 0 HB2 ARG A 362 6.736 1.390 -11.846 1.00 0.00 H new ATOM 0 HB3 ARG A 362 6.534 0.018 -10.774 1.00 0.00 H new ATOM 0 HG2 ARG A 362 8.576 -0.669 -11.575 1.00 0.00 H new ATOM 0 HG3 ARG A 362 7.683 -1.204 -12.985 1.00 0.00 H new ATOM 0 HD2 ARG A 362 8.140 1.649 -13.274 1.00 0.00 H new ATOM 0 HD3 ARG A 362 9.668 0.903 -12.849 1.00 0.00 H new ATOM 0 HE ARG A 362 7.923 0.061 -15.197 1.00 0.00 H new ATOM 0 HH11 ARG A 362 9.705 -2.095 -13.896 1.00 0.00 H new ATOM 0 HH12 ARG A 362 11.150 -1.988 -14.906 1.00 0.00 H new ATOM 0 HH21 ARG A 362 10.289 1.126 -16.243 1.00 0.00 H new ATOM 0 HH22 ARG A 362 11.478 -0.180 -16.223 1.00 0.00 H new ATOM 918 N LYS A 363 3.449 0.610 -11.533 1.00 0.00 N ATOM 919 CA LYS A 363 2.237 0.445 -10.686 1.00 0.00 C ATOM 920 C LYS A 363 1.285 -0.538 -11.365 1.00 0.00 C ATOM 921 O LYS A 363 0.876 -1.524 -10.786 1.00 0.00 O ATOM 922 CB LYS A 363 1.609 1.837 -10.609 1.00 0.00 C ATOM 923 CG LYS A 363 0.415 1.807 -9.655 1.00 0.00 C ATOM 924 CD LYS A 363 -0.752 2.580 -10.272 1.00 0.00 C ATOM 925 CE LYS A 363 -1.311 1.797 -11.462 1.00 0.00 C ATOM 926 NZ LYS A 363 -2.351 0.904 -10.878 1.00 0.00 N ATOM 0 H LYS A 363 3.587 1.546 -11.915 1.00 0.00 H new ATOM 0 HA LYS A 363 2.463 0.056 -9.693 1.00 0.00 H new ATOM 0 HB2 LYS A 363 2.346 2.561 -10.263 1.00 0.00 H new ATOM 0 HB3 LYS A 363 1.288 2.158 -11.600 1.00 0.00 H new ATOM 0 HG2 LYS A 363 0.119 0.777 -9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 363 0.691 2.248 -8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -1.532 2.737 -9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -0.418 3.566 -10.596 1.00 0.00 H new ATOM 0 HE2 LYS A 363 -1.738 2.466 -12.209 1.00 0.00 H new ATOM 0 HE3 LYS A 363 -0.530 1.222 -11.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 -2.102 -0.088 -11.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 -2.405 1.059 -9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 -3.273 1.117 -11.309 1.00 0.00 H new ATOM 940 N ASP A 364 0.946 -0.284 -12.601 1.00 0.00 N ATOM 941 CA ASP A 364 0.038 -1.219 -13.321 1.00 0.00 C ATOM 942 C ASP A 364 0.561 -2.646 -13.159 1.00 0.00 C ATOM 943 O ASP A 364 -0.195 -3.591 -13.052 1.00 0.00 O ATOM 944 CB ASP A 364 0.097 -0.783 -14.785 1.00 0.00 C ATOM 945 CG ASP A 364 -1.253 -0.195 -15.198 1.00 0.00 C ATOM 946 OD1 ASP A 364 -2.210 -0.949 -15.266 1.00 0.00 O ATOM 947 OD2 ASP A 364 -1.309 1.000 -15.438 1.00 0.00 O ATOM 0 H ASP A 364 1.257 0.525 -13.139 1.00 0.00 H new ATOM 0 HA ASP A 364 -0.984 -1.198 -12.941 1.00 0.00 H new ATOM 0 HB2 ASP A 364 0.885 -0.043 -14.923 1.00 0.00 H new ATOM 0 HB3 ASP A 364 0.344 -1.634 -15.419 1.00 0.00 H new ATOM 952 N PHE A 365 1.858 -2.800 -13.126 1.00 0.00 N ATOM 953 CA PHE A 365 2.447 -4.159 -12.953 1.00 0.00 C ATOM 954 C PHE A 365 2.059 -4.712 -11.575 1.00 0.00 C ATOM 955 O PHE A 365 1.900 -5.902 -11.395 1.00 0.00 O ATOM 956 CB PHE A 365 3.965 -3.939 -13.073 1.00 0.00 C ATOM 957 CG PHE A 365 4.718 -4.903 -12.180 1.00 0.00 C ATOM 958 CD1 PHE A 365 4.799 -6.259 -12.521 1.00 0.00 C ATOM 959 CD2 PHE A 365 5.334 -4.436 -11.012 1.00 0.00 C ATOM 960 CE1 PHE A 365 5.496 -7.147 -11.692 1.00 0.00 C ATOM 961 CE2 PHE A 365 6.030 -5.325 -10.185 1.00 0.00 C ATOM 962 CZ PHE A 365 6.111 -6.680 -10.525 1.00 0.00 C ATOM 0 H PHE A 365 2.535 -2.042 -13.212 1.00 0.00 H new ATOM 0 HA PHE A 365 2.094 -4.883 -13.687 1.00 0.00 H new ATOM 0 HB2 PHE A 365 4.277 -4.076 -14.109 1.00 0.00 H new ATOM 0 HB3 PHE A 365 4.212 -2.913 -12.799 1.00 0.00 H new ATOM 0 HD1 PHE A 365 4.325 -6.619 -13.422 1.00 0.00 H new ATOM 0 HD2 PHE A 365 5.272 -3.390 -10.750 1.00 0.00 H new ATOM 0 HE1 PHE A 365 5.559 -8.193 -11.954 1.00 0.00 H new ATOM 0 HE2 PHE A 365 6.505 -4.965 -9.284 1.00 0.00 H new ATOM 0 HZ PHE A 365 6.648 -7.366 -9.887 1.00 0.00 H new ATOM 972 N ILE A 366 1.900 -3.852 -10.605 1.00 0.00 N ATOM 973 CA ILE A 366 1.516 -4.325 -9.244 1.00 0.00 C ATOM 974 C ILE A 366 0.101 -4.905 -9.276 1.00 0.00 C ATOM 975 O ILE A 366 -0.124 -6.043 -8.916 1.00 0.00 O ATOM 976 CB ILE A 366 1.562 -3.079 -8.361 1.00 0.00 C ATOM 977 CG1 ILE A 366 2.924 -2.397 -8.506 1.00 0.00 C ATOM 978 CG2 ILE A 366 1.348 -3.480 -6.901 1.00 0.00 C ATOM 979 CD1 ILE A 366 4.037 -3.434 -8.342 1.00 0.00 C ATOM 0 H ILE A 366 2.019 -2.843 -10.696 1.00 0.00 H new ATOM 0 HA ILE A 366 2.178 -5.108 -8.874 1.00 0.00 H new ATOM 0 HB ILE A 366 0.776 -2.389 -8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 366 3.000 -1.918 -9.482 1.00 0.00 H new ATOM 0 HG13 ILE A 366 3.031 -1.612 -7.757 1.00 0.00 H new ATOM 0 HG21 ILE A 366 1.381 -2.591 -6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 366 0.377 -3.964 -6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 366 2.133 -4.171 -6.595 1.00 0.00 H new ATOM 0 HD11 ILE A 366 5.006 -2.947 -8.446 1.00 0.00 H new ATOM 0 HD12 ILE A 366 3.965 -3.892 -7.356 1.00 0.00 H new ATOM 0 HD13 ILE A 366 3.934 -4.203 -9.108 1.00 0.00 H new ATOM 991 N LYS A 367 -0.854 -4.128 -9.707 1.00 0.00 N ATOM 992 CA LYS A 367 -2.256 -4.630 -9.766 1.00 0.00 C ATOM 993 C LYS A 367 -2.298 -6.006 -10.434 1.00 0.00 C ATOM 994 O LYS A 367 -2.970 -6.910 -9.977 1.00 0.00 O ATOM 995 CB LYS A 367 -3.005 -3.601 -10.615 1.00 0.00 C ATOM 996 CG LYS A 367 -4.346 -4.187 -11.063 1.00 0.00 C ATOM 997 CD LYS A 367 -4.327 -4.413 -12.576 1.00 0.00 C ATOM 998 CE LYS A 367 -4.469 -3.069 -13.294 1.00 0.00 C ATOM 999 NZ LYS A 367 -5.832 -3.097 -13.894 1.00 0.00 N ATOM 0 H LYS A 367 -0.724 -3.166 -10.021 1.00 0.00 H new ATOM 0 HA LYS A 367 -2.697 -4.745 -8.776 1.00 0.00 H new ATOM 0 HB2 LYS A 367 -3.168 -2.689 -10.040 1.00 0.00 H new ATOM 0 HB3 LYS A 367 -2.407 -3.327 -11.484 1.00 0.00 H new ATOM 0 HG2 LYS A 367 -4.534 -5.128 -10.547 1.00 0.00 H new ATOM 0 HG3 LYS A 367 -5.158 -3.510 -10.796 1.00 0.00 H new ATOM 0 HD2 LYS A 367 -3.396 -4.898 -12.870 1.00 0.00 H new ATOM 0 HD3 LYS A 367 -5.139 -5.080 -12.865 1.00 0.00 H new ATOM 0 HE2 LYS A 367 -4.360 -2.236 -12.599 1.00 0.00 H new ATOM 0 HE3 LYS A 367 -3.703 -2.947 -14.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 -6.005 -2.208 -14.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 -5.904 -3.896 -14.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 -6.541 -3.207 -13.141 1.00 0.00 H new ATOM 1013 N THR A 368 -1.585 -6.171 -11.515 1.00 0.00 N ATOM 1014 CA THR A 368 -1.586 -7.487 -12.217 1.00 0.00 C ATOM 1015 C THR A 368 -0.908 -8.555 -11.355 1.00 0.00 C ATOM 1016 O THR A 368 -1.223 -9.725 -11.443 1.00 0.00 O ATOM 1017 CB THR A 368 -0.787 -7.252 -13.500 1.00 0.00 C ATOM 1018 OG1 THR A 368 -1.052 -5.943 -13.987 1.00 0.00 O ATOM 1019 CG2 THR A 368 -1.194 -8.284 -14.552 1.00 0.00 C ATOM 0 H THR A 368 -1.002 -5.452 -11.943 1.00 0.00 H new ATOM 0 HA THR A 368 -2.597 -7.841 -12.421 1.00 0.00 H new ATOM 0 HB THR A 368 0.278 -7.353 -13.290 1.00 0.00 H new ATOM 0 HG1 THR A 368 -0.361 -5.328 -13.665 1.00 0.00 H new ATOM 0 HG21 THR A 368 -0.624 -8.116 -15.466 1.00 0.00 H new ATOM 0 HG22 THR A 368 -0.990 -9.287 -14.176 1.00 0.00 H new ATOM 0 HG23 THR A 368 -2.259 -8.186 -14.765 1.00 0.00 H new ATOM 1027 N THR A 369 0.023 -8.167 -10.526 1.00 0.00 N ATOM 1028 CA THR A 369 0.716 -9.172 -9.670 1.00 0.00 C ATOM 1029 C THR A 369 -0.289 -9.836 -8.720 1.00 0.00 C ATOM 1030 O THR A 369 -0.319 -11.042 -8.581 1.00 0.00 O ATOM 1031 CB THR A 369 1.801 -8.375 -8.918 1.00 0.00 C ATOM 1032 OG1 THR A 369 3.007 -9.125 -8.914 1.00 0.00 O ATOM 1033 CG2 THR A 369 1.382 -8.088 -7.469 1.00 0.00 C ATOM 0 H THR A 369 0.333 -7.203 -10.405 1.00 0.00 H new ATOM 0 HA THR A 369 1.163 -9.985 -10.242 1.00 0.00 H new ATOM 0 HB THR A 369 1.942 -7.422 -9.428 1.00 0.00 H new ATOM 0 HG1 THR A 369 3.702 -8.624 -8.439 1.00 0.00 H new ATOM 0 HG21 THR A 369 2.169 -7.525 -6.967 1.00 0.00 H new ATOM 0 HG22 THR A 369 0.461 -7.506 -7.465 1.00 0.00 H new ATOM 0 HG23 THR A 369 1.219 -9.029 -6.944 1.00 0.00 H new ATOM 1041 N VAL A 370 -1.117 -9.061 -8.076 1.00 0.00 N ATOM 1042 CA VAL A 370 -2.120 -9.661 -7.151 1.00 0.00 C ATOM 1043 C VAL A 370 -3.279 -10.244 -7.959 1.00 0.00 C ATOM 1044 O VAL A 370 -3.771 -11.319 -7.676 1.00 0.00 O ATOM 1045 CB VAL A 370 -2.603 -8.508 -6.273 1.00 0.00 C ATOM 1046 CG1 VAL A 370 -3.418 -9.068 -5.106 1.00 0.00 C ATOM 1047 CG2 VAL A 370 -1.398 -7.741 -5.727 1.00 0.00 C ATOM 0 H VAL A 370 -1.143 -8.044 -8.149 1.00 0.00 H new ATOM 0 HA VAL A 370 -1.701 -10.470 -6.552 1.00 0.00 H new ATOM 0 HB VAL A 370 -3.224 -7.835 -6.865 1.00 0.00 H new ATOM 0 HG11 VAL A 370 -3.764 -8.248 -4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 370 -4.277 -9.617 -5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 370 -2.794 -9.739 -4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 370 -1.744 -6.919 -5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 370 -0.777 -8.413 -5.134 1.00 0.00 H new ATOM 0 HG23 VAL A 370 -0.813 -7.344 -6.557 1.00 0.00 H new ATOM 1057 N LYS A 371 -3.718 -9.543 -8.970 1.00 0.00 N ATOM 1058 CA LYS A 371 -4.841 -10.055 -9.804 1.00 0.00 C ATOM 1059 C LYS A 371 -4.489 -11.435 -10.367 1.00 0.00 C ATOM 1060 O LYS A 371 -5.328 -12.309 -10.465 1.00 0.00 O ATOM 1061 CB LYS A 371 -4.988 -9.035 -10.933 1.00 0.00 C ATOM 1062 CG LYS A 371 -6.278 -9.307 -11.709 1.00 0.00 C ATOM 1063 CD LYS A 371 -6.714 -8.033 -12.436 1.00 0.00 C ATOM 1064 CE LYS A 371 -7.200 -7.002 -11.416 1.00 0.00 C ATOM 1065 NZ LYS A 371 -8.359 -6.332 -12.069 1.00 0.00 N ATOM 0 H LYS A 371 -3.346 -8.637 -9.254 1.00 0.00 H new ATOM 0 HA LYS A 371 -5.764 -10.169 -9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -5.005 -8.025 -10.524 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -4.130 -9.093 -11.603 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -6.120 -10.112 -12.427 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -7.062 -9.636 -11.028 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -5.881 -7.627 -13.010 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -7.510 -8.261 -13.145 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -7.495 -7.480 -10.482 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -6.415 -6.286 -11.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -8.748 -5.610 -11.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -8.047 -5.881 -12.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -9.093 -7.037 -12.282 1.00 0.00 H new ATOM 1079 N GLU A 372 -3.251 -11.640 -10.727 1.00 0.00 N ATOM 1080 CA GLU A 372 -2.845 -12.966 -11.274 1.00 0.00 C ATOM 1081 C GLU A 372 -2.704 -13.969 -10.130 1.00 0.00 C ATOM 1082 O GLU A 372 -2.904 -15.155 -10.299 1.00 0.00 O ATOM 1083 CB GLU A 372 -1.493 -12.727 -11.949 1.00 0.00 C ATOM 1084 CG GLU A 372 -1.247 -13.819 -12.992 1.00 0.00 C ATOM 1085 CD GLU A 372 -1.679 -13.317 -14.370 1.00 0.00 C ATOM 1086 OE1 GLU A 372 -2.801 -12.851 -14.484 1.00 0.00 O ATOM 1087 OE2 GLU A 372 -0.883 -13.408 -15.290 1.00 0.00 O ATOM 0 H GLU A 372 -2.504 -10.948 -10.666 1.00 0.00 H new ATOM 0 HA GLU A 372 -3.576 -13.370 -11.974 1.00 0.00 H new ATOM 0 HB2 GLU A 372 -1.479 -11.746 -12.423 1.00 0.00 H new ATOM 0 HB3 GLU A 372 -0.696 -12.733 -11.205 1.00 0.00 H new ATOM 0 HG2 GLU A 372 -0.192 -14.091 -13.007 1.00 0.00 H new ATOM 0 HG3 GLU A 372 -1.804 -14.719 -12.730 1.00 0.00 H new ATOM 1094 N LEU A 373 -2.377 -13.494 -8.962 1.00 0.00 N ATOM 1095 CA LEU A 373 -2.238 -14.406 -7.798 1.00 0.00 C ATOM 1096 C LEU A 373 -3.635 -14.761 -7.281 1.00 0.00 C ATOM 1097 O LEU A 373 -3.819 -15.718 -6.555 1.00 0.00 O ATOM 1098 CB LEU A 373 -1.428 -13.598 -6.769 1.00 0.00 C ATOM 1099 CG LEU A 373 -1.943 -13.852 -5.348 1.00 0.00 C ATOM 1100 CD1 LEU A 373 -0.874 -13.442 -4.334 1.00 0.00 C ATOM 1101 CD2 LEU A 373 -3.209 -13.023 -5.118 1.00 0.00 C ATOM 0 H LEU A 373 -2.200 -12.509 -8.764 1.00 0.00 H new ATOM 0 HA LEU A 373 -1.740 -15.348 -8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 373 -0.375 -13.872 -6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 373 -1.496 -12.535 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 373 -2.169 -14.911 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 373 -1.242 -13.623 -3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 373 0.030 -14.028 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 373 -0.647 -12.383 -4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 373 -3.581 -13.199 -4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 373 -2.978 -11.965 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 373 -3.971 -13.314 -5.841 1.00 0.00 H new ATOM 1113 N ILE A 374 -4.620 -13.990 -7.656 1.00 0.00 N ATOM 1114 CA ILE A 374 -6.007 -14.274 -7.197 1.00 0.00 C ATOM 1115 C ILE A 374 -6.679 -15.277 -8.139 1.00 0.00 C ATOM 1116 O ILE A 374 -7.542 -16.035 -7.743 1.00 0.00 O ATOM 1117 CB ILE A 374 -6.729 -12.928 -7.244 1.00 0.00 C ATOM 1118 CG1 ILE A 374 -6.266 -12.057 -6.074 1.00 0.00 C ATOM 1119 CG2 ILE A 374 -8.238 -13.155 -7.140 1.00 0.00 C ATOM 1120 CD1 ILE A 374 -6.995 -10.713 -6.121 1.00 0.00 C ATOM 0 H ILE A 374 -4.522 -13.175 -8.261 1.00 0.00 H new ATOM 0 HA ILE A 374 -6.029 -14.710 -6.198 1.00 0.00 H new ATOM 0 HB ILE A 374 -6.499 -12.427 -8.184 1.00 0.00 H new ATOM 0 HG12 ILE A 374 -6.469 -12.560 -5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 374 -5.189 -11.901 -6.127 1.00 0.00 H new ATOM 0 HG21 ILE A 374 -8.753 -12.195 -7.173 1.00 0.00 H new ATOM 0 HG22 ILE A 374 -8.571 -13.775 -7.972 1.00 0.00 H new ATOM 0 HG23 ILE A 374 -8.466 -13.657 -6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 374 -6.666 -10.091 -5.288 1.00 0.00 H new ATOM 0 HD12 ILE A 374 -6.769 -10.209 -7.061 1.00 0.00 H new ATOM 0 HD13 ILE A 374 -8.070 -10.879 -6.047 1.00 0.00 H new ATOM 1132 N SER A 375 -6.289 -15.286 -9.385 1.00 0.00 N ATOM 1133 CA SER A 375 -6.906 -16.241 -10.351 1.00 0.00 C ATOM 1134 C SER A 375 -6.064 -17.516 -10.433 1.00 0.00 C ATOM 1135 O SER A 375 -6.573 -18.596 -10.654 1.00 0.00 O ATOM 1136 CB SER A 375 -6.903 -15.508 -11.691 1.00 0.00 C ATOM 1137 OG SER A 375 -7.626 -14.292 -11.561 1.00 0.00 O ATOM 0 H SER A 375 -5.572 -14.675 -9.776 1.00 0.00 H new ATOM 0 HA SER A 375 -7.912 -16.540 -10.056 1.00 0.00 H new ATOM 0 HB2 SER A 375 -5.879 -15.304 -12.005 1.00 0.00 H new ATOM 0 HB3 SER A 375 -7.355 -16.133 -12.462 1.00 0.00 H new ATOM 0 HG SER A 375 -7.029 -13.591 -11.226 1.00 0.00 H new ATOM 1143 N LEU A 376 -4.777 -17.397 -10.253 1.00 0.00 N ATOM 1144 CA LEU A 376 -3.901 -18.601 -10.316 1.00 0.00 C ATOM 1145 C LEU A 376 -3.412 -18.969 -8.913 1.00 0.00 C ATOM 1146 O LEU A 376 -2.422 -19.655 -8.749 1.00 0.00 O ATOM 1147 CB LEU A 376 -2.726 -18.192 -11.205 1.00 0.00 C ATOM 1148 CG LEU A 376 -2.939 -18.738 -12.617 1.00 0.00 C ATOM 1149 CD1 LEU A 376 -2.123 -17.912 -13.614 1.00 0.00 C ATOM 1150 CD2 LEU A 376 -2.482 -20.198 -12.672 1.00 0.00 C ATOM 0 H LEU A 376 -4.294 -16.518 -10.065 1.00 0.00 H new ATOM 0 HA LEU A 376 -4.423 -19.473 -10.710 1.00 0.00 H new ATOM 0 HB2 LEU A 376 -2.639 -17.106 -11.233 1.00 0.00 H new ATOM 0 HB3 LEU A 376 -1.793 -18.576 -10.792 1.00 0.00 H new ATOM 0 HG LEU A 376 -3.996 -18.676 -12.874 1.00 0.00 H new ATOM 0 HD11 LEU A 376 -2.275 -18.302 -14.620 1.00 0.00 H new ATOM 0 HD12 LEU A 376 -2.446 -16.872 -13.575 1.00 0.00 H new ATOM 0 HD13 LEU A 376 -1.065 -17.973 -13.358 1.00 0.00 H new ATOM 0 HD21 LEU A 376 -2.633 -20.589 -13.678 1.00 0.00 H new ATOM 0 HD22 LEU A 376 -1.425 -20.258 -12.414 1.00 0.00 H new ATOM 0 HD23 LEU A 376 -3.062 -20.788 -11.963 1.00 0.00 H new ATOM 1162 N GLU A 377 -4.098 -18.517 -7.899 1.00 0.00 N ATOM 1163 CA GLU A 377 -3.675 -18.840 -6.507 1.00 0.00 C ATOM 1164 C GLU A 377 -4.715 -18.328 -5.507 1.00 0.00 C ATOM 1165 O GLU A 377 -4.386 -17.886 -4.424 1.00 0.00 O ATOM 1166 CB GLU A 377 -2.343 -18.111 -6.319 1.00 0.00 C ATOM 1167 CG GLU A 377 -1.365 -19.018 -5.570 1.00 0.00 C ATOM 1168 CD GLU A 377 -0.995 -18.376 -4.231 1.00 0.00 C ATOM 1169 OE1 GLU A 377 -1.900 -18.098 -3.460 1.00 0.00 O ATOM 1170 OE2 GLU A 377 0.185 -18.172 -4.000 1.00 0.00 O ATOM 0 H GLU A 377 -4.934 -17.937 -7.975 1.00 0.00 H new ATOM 0 HA GLU A 377 -3.578 -19.913 -6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 377 -1.928 -17.833 -7.288 1.00 0.00 H new ATOM 0 HB3 GLU A 377 -2.498 -17.187 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 377 -1.815 -19.997 -5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 377 -0.468 -19.177 -6.169 1.00 0.00 H new ATOM 1177 N HIS A 378 -5.970 -18.383 -5.864 1.00 0.00 N ATOM 1178 CA HIS A 378 -7.032 -17.899 -4.936 1.00 0.00 C ATOM 1179 C HIS A 378 -6.839 -18.508 -3.544 1.00 0.00 C ATOM 1180 O HIS A 378 -6.453 -19.664 -3.473 1.00 0.00 O ATOM 1181 CB HIS A 378 -8.345 -18.380 -5.554 1.00 0.00 C ATOM 1182 CG HIS A 378 -8.232 -19.838 -5.901 1.00 0.00 C ATOM 1183 ND1 HIS A 378 -8.550 -20.839 -4.998 1.00 0.00 N ATOM 1184 CD2 HIS A 378 -7.839 -20.480 -7.050 1.00 0.00 C ATOM 1185 CE1 HIS A 378 -8.345 -22.019 -5.612 1.00 0.00 C ATOM 1186 NE2 HIS A 378 -7.911 -21.857 -6.865 1.00 0.00 N ATOM 1187 OXT HIS A 378 -7.078 -17.808 -2.574 1.00 0.00 O ATOM 0 H HIS A 378 -6.305 -18.742 -6.758 1.00 0.00 H new ATOM 0 HA HIS A 378 -7.011 -16.816 -4.813 1.00 0.00 H new ATOM 0 HB2 HIS A 378 -9.167 -18.224 -4.855 1.00 0.00 H new ATOM 0 HB3 HIS A 378 -8.573 -17.799 -6.448 1.00 0.00 H new ATOM 0 HD2 HIS A 378 -7.522 -19.990 -7.959 1.00 0.00 H new ATOM 0 HE1 HIS A 378 -8.511 -22.980 -5.148 1.00 0.00 H new ATOM 0 HE2 HIS A 378 -7.682 -22.586 -7.541 1.00 0.00 H new