USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=19 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= 0.946 USER MOD Set 1.2: A 351 TYR OH : rot 93:sc= 0.472 USER MOD Set 2.1: A 328 THR OG1 : rot 132:sc= 1.64 USER MOD Set 2.2: A 353 ASN : amide:sc= 0.0508 X(o=0.38,f=0.043) USER MOD Set 2.3: A 354 TYR OH : rot 30:sc= -1.31 USER MOD Single : A 321 THR OG1 : rot 180:sc= 0.0194 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+ -166:sc= 0 (180deg=-0.103) USER MOD Single : A 335 SER OG : rot 180:sc= 0 USER MOD Single : A 337 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.18) USER MOD Single : A 342 THR OG1 : rot 180:sc= 0 USER MOD Single : A 343 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 344 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 345 GLN :FLIP amide:sc= -0.167 F(o=-0.9,f=-0.17) USER MOD Single : A 348 LYS NZ :NH3+ -143:sc= -0.0194 (180deg=-0.116) USER MOD Single : A 349 LYS NZ :NH3+ -178:sc= -0.426 (180deg=-0.44) USER MOD Single : A 356 THR OG1 : rot 180:sc= 0.0902 USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 360 THR OG1 : rot -80:sc= 1.35 USER MOD Single : A 363 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 THR OG1 : rot 74:sc= 1.11 USER MOD Single : A 369 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 LYS NZ :NH3+ -125:sc= -0.0882 (180deg=-0.565) USER MOD Single : A 375 SER OG : rot -96:sc= 0.318 USER MOD Single : A 378 HIS :FLIP no HD1:sc= -2.2! F(o=-2.8,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 203 N PRO A 320 12.093 2.186 -6.760 1.00 0.00 N ATOM 204 CA PRO A 320 12.426 0.824 -6.280 1.00 0.00 C ATOM 205 C PRO A 320 12.508 -0.147 -7.460 1.00 0.00 C ATOM 206 O PRO A 320 12.125 0.173 -8.568 1.00 0.00 O ATOM 207 CB PRO A 320 11.258 0.469 -5.366 1.00 0.00 C ATOM 208 CG PRO A 320 10.120 1.308 -5.851 1.00 0.00 C ATOM 209 CD PRO A 320 10.713 2.563 -6.439 1.00 0.00 C ATOM 0 HA PRO A 320 13.388 0.771 -5.771 1.00 0.00 H new ATOM 0 HB2 PRO A 320 11.019 -0.593 -5.425 1.00 0.00 H new ATOM 0 HB3 PRO A 320 11.492 0.686 -4.324 1.00 0.00 H new ATOM 0 HG2 PRO A 320 9.537 0.771 -6.599 1.00 0.00 H new ATOM 0 HG3 PRO A 320 9.443 1.549 -5.032 1.00 0.00 H new ATOM 0 HD2 PRO A 320 10.169 2.883 -7.328 1.00 0.00 H new ATOM 0 HD3 PRO A 320 10.680 3.390 -5.730 1.00 0.00 H new ATOM 217 N THR A 321 13.002 -1.331 -7.232 1.00 0.00 N ATOM 218 CA THR A 321 13.104 -2.320 -8.342 1.00 0.00 C ATOM 219 C THR A 321 11.988 -3.361 -8.222 1.00 0.00 C ATOM 220 O THR A 321 11.423 -3.559 -7.164 1.00 0.00 O ATOM 221 CB THR A 321 14.475 -2.974 -8.163 1.00 0.00 C ATOM 222 OG1 THR A 321 14.571 -3.518 -6.854 1.00 0.00 O ATOM 223 CG2 THR A 321 15.572 -1.928 -8.366 1.00 0.00 C ATOM 0 H THR A 321 13.339 -1.657 -6.326 1.00 0.00 H new ATOM 0 HA THR A 321 13.001 -1.857 -9.323 1.00 0.00 H new ATOM 0 HB THR A 321 14.597 -3.771 -8.897 1.00 0.00 H new ATOM 0 HG1 THR A 321 15.448 -3.939 -6.738 1.00 0.00 H new ATOM 0 HG21 THR A 321 16.548 -2.395 -8.238 1.00 0.00 H new ATOM 0 HG22 THR A 321 15.497 -1.513 -9.371 1.00 0.00 H new ATOM 0 HG23 THR A 321 15.453 -1.129 -7.634 1.00 0.00 H new ATOM 231 N ASP A 322 11.666 -4.026 -9.298 1.00 0.00 N ATOM 232 CA ASP A 322 10.585 -5.052 -9.246 1.00 0.00 C ATOM 233 C ASP A 322 10.710 -5.889 -7.970 1.00 0.00 C ATOM 234 O ASP A 322 9.730 -6.332 -7.407 1.00 0.00 O ATOM 235 CB ASP A 322 10.807 -5.923 -10.483 1.00 0.00 C ATOM 236 CG ASP A 322 12.289 -6.285 -10.595 1.00 0.00 C ATOM 237 OD1 ASP A 322 13.049 -5.449 -11.054 1.00 0.00 O ATOM 238 OD2 ASP A 322 12.639 -7.391 -10.219 1.00 0.00 O ATOM 0 H ASP A 322 12.104 -3.903 -10.211 1.00 0.00 H new ATOM 0 HA ASP A 322 9.591 -4.605 -9.235 1.00 0.00 H new ATOM 0 HB2 ASP A 322 10.205 -6.829 -10.415 1.00 0.00 H new ATOM 0 HB3 ASP A 322 10.483 -5.391 -11.378 1.00 0.00 H new ATOM 243 N GLU A 323 11.912 -6.109 -7.510 1.00 0.00 N ATOM 244 CA GLU A 323 12.101 -6.917 -6.272 1.00 0.00 C ATOM 245 C GLU A 323 11.504 -6.191 -5.062 1.00 0.00 C ATOM 246 O GLU A 323 10.877 -6.793 -4.213 1.00 0.00 O ATOM 247 CB GLU A 323 13.615 -7.055 -6.117 1.00 0.00 C ATOM 248 CG GLU A 323 13.927 -8.203 -5.155 1.00 0.00 C ATOM 249 CD GLU A 323 14.705 -7.666 -3.951 1.00 0.00 C ATOM 250 OE1 GLU A 323 14.314 -6.634 -3.430 1.00 0.00 O ATOM 251 OE2 GLU A 323 15.679 -8.296 -3.572 1.00 0.00 O ATOM 0 H GLU A 323 12.771 -5.764 -7.938 1.00 0.00 H new ATOM 0 HA GLU A 323 11.605 -7.885 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 323 14.075 -7.244 -7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 323 14.039 -6.125 -5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 323 13.002 -8.674 -4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 323 14.510 -8.970 -5.665 1.00 0.00 H new ATOM 258 N GLU A 324 11.691 -4.901 -4.975 1.00 0.00 N ATOM 259 CA GLU A 324 11.132 -4.146 -3.816 1.00 0.00 C ATOM 260 C GLU A 324 9.624 -3.948 -3.992 1.00 0.00 C ATOM 261 O GLU A 324 8.857 -4.092 -3.061 1.00 0.00 O ATOM 262 CB GLU A 324 11.860 -2.803 -3.826 1.00 0.00 C ATOM 263 CG GLU A 324 13.051 -2.864 -2.868 1.00 0.00 C ATOM 264 CD GLU A 324 14.139 -1.898 -3.340 1.00 0.00 C ATOM 265 OE1 GLU A 324 13.854 -0.716 -3.433 1.00 0.00 O ATOM 266 OE2 GLU A 324 15.238 -2.358 -3.600 1.00 0.00 O ATOM 0 H GLU A 324 12.205 -4.339 -5.654 1.00 0.00 H new ATOM 0 HA GLU A 324 11.272 -4.674 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 324 12.202 -2.570 -4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 324 11.179 -2.006 -3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 324 12.732 -2.604 -1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 324 13.445 -3.879 -2.826 1.00 0.00 H new ATOM 273 N LEU A 325 9.192 -3.626 -5.181 1.00 0.00 N ATOM 274 CA LEU A 325 7.733 -3.428 -5.415 1.00 0.00 C ATOM 275 C LEU A 325 6.977 -4.725 -5.118 1.00 0.00 C ATOM 276 O LEU A 325 6.138 -4.780 -4.240 1.00 0.00 O ATOM 277 CB LEU A 325 7.612 -3.060 -6.894 1.00 0.00 C ATOM 278 CG LEU A 325 7.560 -1.537 -7.036 1.00 0.00 C ATOM 279 CD1 LEU A 325 7.445 -1.166 -8.515 1.00 0.00 C ATOM 280 CD2 LEU A 325 6.343 -0.999 -6.278 1.00 0.00 C ATOM 0 H LEU A 325 9.785 -3.492 -6.000 1.00 0.00 H new ATOM 0 HA LEU A 325 7.310 -2.656 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 325 8.460 -3.459 -7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 325 6.713 -3.507 -7.319 1.00 0.00 H new ATOM 0 HG LEU A 325 8.469 -1.101 -6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 325 7.408 -0.081 -8.616 1.00 0.00 H new ATOM 0 HD12 LEU A 325 8.310 -1.552 -9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 325 6.535 -1.600 -8.929 1.00 0.00 H new ATOM 0 HD21 LEU A 325 6.303 0.086 -6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 325 5.434 -1.435 -6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 325 6.424 -1.264 -5.224 1.00 0.00 H new ATOM 292 N LYS A 326 7.275 -5.771 -5.838 1.00 0.00 N ATOM 293 CA LYS A 326 6.580 -7.065 -5.591 1.00 0.00 C ATOM 294 C LYS A 326 6.570 -7.370 -4.092 1.00 0.00 C ATOM 295 O LYS A 326 5.554 -7.721 -3.524 1.00 0.00 O ATOM 296 CB LYS A 326 7.407 -8.107 -6.346 1.00 0.00 C ATOM 297 CG LYS A 326 6.574 -9.374 -6.549 1.00 0.00 C ATOM 298 CD LYS A 326 6.850 -10.354 -5.406 1.00 0.00 C ATOM 299 CE LYS A 326 8.165 -11.091 -5.670 1.00 0.00 C ATOM 300 NZ LYS A 326 7.762 -12.480 -6.027 1.00 0.00 N ATOM 0 H LYS A 326 7.969 -5.786 -6.586 1.00 0.00 H new ATOM 0 HA LYS A 326 5.542 -7.053 -5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 326 7.721 -7.708 -7.310 1.00 0.00 H new ATOM 0 HB3 LYS A 326 8.313 -8.341 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 326 5.514 -9.124 -6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 326 6.821 -9.835 -7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 326 6.906 -9.818 -4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 326 6.031 -11.069 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 326 8.725 -10.622 -6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 326 8.807 -11.080 -4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 326 8.611 -13.048 -6.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 326 7.237 -12.903 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 326 7.157 -12.459 -6.873 1.00 0.00 H new ATOM 314 N GLU A 327 7.696 -7.233 -3.445 1.00 0.00 N ATOM 315 CA GLU A 327 7.754 -7.508 -1.981 1.00 0.00 C ATOM 316 C GLU A 327 6.583 -6.827 -1.272 1.00 0.00 C ATOM 317 O GLU A 327 5.731 -7.476 -0.698 1.00 0.00 O ATOM 318 CB GLU A 327 9.085 -6.909 -1.521 1.00 0.00 C ATOM 319 CG GLU A 327 9.740 -7.841 -0.501 1.00 0.00 C ATOM 320 CD GLU A 327 10.868 -7.099 0.217 1.00 0.00 C ATOM 321 OE1 GLU A 327 11.131 -5.965 -0.146 1.00 0.00 O ATOM 322 OE2 GLU A 327 11.450 -7.676 1.121 1.00 0.00 O ATOM 0 H GLU A 327 8.578 -6.943 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 327 7.686 -8.572 -1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 327 9.746 -6.766 -2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 327 8.920 -5.927 -1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 327 9.000 -8.185 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 327 10.133 -8.726 -1.001 1.00 0.00 H new ATOM 329 N THR A 328 6.531 -5.523 -1.311 1.00 0.00 N ATOM 330 CA THR A 328 5.412 -4.803 -0.641 1.00 0.00 C ATOM 331 C THR A 328 4.088 -5.518 -0.921 1.00 0.00 C ATOM 332 O THR A 328 3.357 -5.876 -0.017 1.00 0.00 O ATOM 333 CB THR A 328 5.410 -3.404 -1.261 1.00 0.00 C ATOM 334 OG1 THR A 328 6.564 -2.695 -0.830 1.00 0.00 O ATOM 335 CG2 THR A 328 4.153 -2.650 -0.825 1.00 0.00 C ATOM 0 H THR A 328 7.214 -4.926 -1.777 1.00 0.00 H new ATOM 0 HA THR A 328 5.532 -4.765 0.442 1.00 0.00 H new ATOM 0 HB THR A 328 5.420 -3.489 -2.348 1.00 0.00 H new ATOM 0 HG1 THR A 328 6.998 -2.277 -1.602 1.00 0.00 H new ATOM 0 HG21 THR A 328 4.154 -1.654 -1.268 1.00 0.00 H new ATOM 0 HG22 THR A 328 3.269 -3.194 -1.157 1.00 0.00 H new ATOM 0 HG23 THR A 328 4.139 -2.564 0.261 1.00 0.00 H new ATOM 343 N ILE A 329 3.777 -5.735 -2.169 1.00 0.00 N ATOM 344 CA ILE A 329 2.504 -6.430 -2.504 1.00 0.00 C ATOM 345 C ILE A 329 2.445 -7.783 -1.793 1.00 0.00 C ATOM 346 O ILE A 329 1.527 -8.064 -1.049 1.00 0.00 O ATOM 347 CB ILE A 329 2.538 -6.623 -4.017 1.00 0.00 C ATOM 348 CG1 ILE A 329 2.510 -5.256 -4.706 1.00 0.00 C ATOM 349 CG2 ILE A 329 1.319 -7.438 -4.447 1.00 0.00 C ATOM 350 CD1 ILE A 329 3.540 -5.230 -5.836 1.00 0.00 C ATOM 0 H ILE A 329 4.348 -5.462 -2.969 1.00 0.00 H new ATOM 0 HA ILE A 329 1.629 -5.862 -2.189 1.00 0.00 H new ATOM 0 HB ILE A 329 3.449 -7.151 -4.300 1.00 0.00 H new ATOM 0 HG12 ILE A 329 1.514 -5.058 -5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 329 2.727 -4.469 -3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 329 1.338 -7.579 -5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 329 1.339 -8.410 -3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 329 0.409 -6.907 -4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 329 3.519 -4.256 -6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 329 4.534 -5.409 -5.426 1.00 0.00 H new ATOM 0 HD13 ILE A 329 3.302 -6.007 -6.563 1.00 0.00 H new ATOM 362 N LYS A 330 3.420 -8.623 -2.010 1.00 0.00 N ATOM 363 CA LYS A 330 3.415 -9.952 -1.337 1.00 0.00 C ATOM 364 C LYS A 330 3.073 -9.779 0.144 1.00 0.00 C ATOM 365 O LYS A 330 2.488 -10.645 0.762 1.00 0.00 O ATOM 366 CB LYS A 330 4.836 -10.491 -1.504 1.00 0.00 C ATOM 367 CG LYS A 330 4.971 -11.818 -0.757 1.00 0.00 C ATOM 368 CD LYS A 330 3.788 -12.723 -1.104 1.00 0.00 C ATOM 369 CE LYS A 330 3.890 -14.025 -0.307 1.00 0.00 C ATOM 370 NZ LYS A 330 3.608 -15.103 -1.295 1.00 0.00 N ATOM 0 H LYS A 330 4.217 -8.447 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 330 2.676 -10.632 -1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 330 5.060 -10.633 -2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 330 5.557 -9.770 -1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 330 5.907 -12.306 -1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 330 5.003 -11.640 0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 330 2.850 -12.217 -0.875 1.00 0.00 H new ATOM 0 HD3 LYS A 330 3.782 -12.938 -2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 330 4.880 -14.142 0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 330 3.172 -14.043 0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 3.659 -16.028 -0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 2.656 -14.969 -1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 4.311 -15.065 -2.060 1.00 0.00 H new ATOM 384 N LYS A 331 3.429 -8.661 0.714 1.00 0.00 N ATOM 385 CA LYS A 331 3.118 -8.424 2.152 1.00 0.00 C ATOM 386 C LYS A 331 1.623 -8.148 2.319 1.00 0.00 C ATOM 387 O LYS A 331 1.052 -8.363 3.370 1.00 0.00 O ATOM 388 CB LYS A 331 3.939 -7.194 2.541 1.00 0.00 C ATOM 389 CG LYS A 331 4.834 -7.532 3.734 1.00 0.00 C ATOM 390 CD LYS A 331 6.201 -8.000 3.232 1.00 0.00 C ATOM 391 CE LYS A 331 6.487 -9.407 3.764 1.00 0.00 C ATOM 392 NZ LYS A 331 6.767 -9.219 5.214 1.00 0.00 N ATOM 0 H LYS A 331 3.922 -7.901 0.246 1.00 0.00 H new ATOM 0 HA LYS A 331 3.359 -9.283 2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 331 4.548 -6.869 1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 331 3.276 -6.367 2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 331 4.950 -6.657 4.374 1.00 0.00 H new ATOM 0 HG3 LYS A 331 4.371 -8.311 4.340 1.00 0.00 H new ATOM 0 HD2 LYS A 331 6.219 -8.001 2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 331 6.977 -7.310 3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 331 5.635 -10.069 3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 331 7.338 -9.857 3.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 7.199 -10.083 5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 7.420 -8.419 5.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 5.878 -9.023 5.717 1.00 0.00 H new ATOM 406 N LEU A 332 0.986 -7.676 1.283 1.00 0.00 N ATOM 407 CA LEU A 332 -0.474 -7.387 1.371 1.00 0.00 C ATOM 408 C LEU A 332 -1.277 -8.681 1.217 1.00 0.00 C ATOM 409 O LEU A 332 -2.261 -8.899 1.894 1.00 0.00 O ATOM 410 CB LEU A 332 -0.764 -6.439 0.206 1.00 0.00 C ATOM 411 CG LEU A 332 0.243 -5.288 0.210 1.00 0.00 C ATOM 412 CD1 LEU A 332 0.111 -4.489 -1.090 1.00 0.00 C ATOM 413 CD2 LEU A 332 -0.037 -4.370 1.402 1.00 0.00 C ATOM 0 H LEU A 332 1.413 -7.478 0.378 1.00 0.00 H new ATOM 0 HA LEU A 332 -0.750 -6.950 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 332 -0.707 -6.981 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 332 -1.778 -6.047 0.288 1.00 0.00 H new ATOM 0 HG LEU A 332 1.253 -5.690 0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 332 0.829 -3.669 -1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 332 0.309 -5.142 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 332 -0.899 -4.087 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 332 0.680 -3.549 1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 332 -1.047 -3.969 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 332 0.056 -4.937 2.328 1.00 0.00 H new ATOM 425 N LEU A 333 -0.862 -9.539 0.325 1.00 0.00 N ATOM 426 CA LEU A 333 -1.596 -10.821 0.118 1.00 0.00 C ATOM 427 C LEU A 333 -1.384 -11.759 1.309 1.00 0.00 C ATOM 428 O LEU A 333 -2.279 -12.471 1.717 1.00 0.00 O ATOM 429 CB LEU A 333 -0.995 -11.420 -1.153 1.00 0.00 C ATOM 430 CG LEU A 333 -1.076 -10.399 -2.287 1.00 0.00 C ATOM 431 CD1 LEU A 333 0.065 -10.638 -3.277 1.00 0.00 C ATOM 432 CD2 LEU A 333 -2.416 -10.550 -3.010 1.00 0.00 C ATOM 0 H LEU A 333 -0.045 -9.407 -0.271 1.00 0.00 H new ATOM 0 HA LEU A 333 -2.672 -10.668 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 333 0.043 -11.703 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -1.531 -12.328 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 333 -0.992 -9.393 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 333 0.005 -9.908 -4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 333 1.021 -10.533 -2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -0.016 -11.644 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -2.477 -9.823 -3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -2.497 -11.557 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -3.230 -10.378 -2.306 1.00 0.00 H new ATOM 444 N ALA A 334 -0.205 -11.769 1.867 1.00 0.00 N ATOM 445 CA ALA A 334 0.061 -12.669 3.029 1.00 0.00 C ATOM 446 C ALA A 334 -0.752 -12.222 4.248 1.00 0.00 C ATOM 447 O ALA A 334 -0.772 -12.885 5.266 1.00 0.00 O ATOM 448 CB ALA A 334 1.559 -12.530 3.304 1.00 0.00 C ATOM 0 H ALA A 334 0.585 -11.195 1.571 1.00 0.00 H new ATOM 0 HA ALA A 334 -0.223 -13.701 2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 334 1.834 -13.163 4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 334 2.121 -12.836 2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 334 1.791 -11.491 3.539 1.00 0.00 H new ATOM 454 N SER A 335 -1.418 -11.104 4.156 1.00 0.00 N ATOM 455 CA SER A 335 -2.223 -10.620 5.313 1.00 0.00 C ATOM 456 C SER A 335 -3.715 -10.635 4.969 1.00 0.00 C ATOM 457 O SER A 335 -4.562 -10.504 5.831 1.00 0.00 O ATOM 458 CB SER A 335 -1.745 -9.190 5.557 1.00 0.00 C ATOM 459 OG SER A 335 -0.989 -9.146 6.759 1.00 0.00 O ATOM 0 H SER A 335 -1.440 -10.505 3.331 1.00 0.00 H new ATOM 0 HA SER A 335 -2.096 -11.250 6.194 1.00 0.00 H new ATOM 0 HB2 SER A 335 -1.137 -8.850 4.719 1.00 0.00 H new ATOM 0 HB3 SER A 335 -2.599 -8.516 5.626 1.00 0.00 H new ATOM 0 HG SER A 335 -0.679 -8.230 6.917 1.00 0.00 H new ATOM 465 N ALA A 336 -4.045 -10.792 3.717 1.00 0.00 N ATOM 466 CA ALA A 336 -5.482 -10.813 3.322 1.00 0.00 C ATOM 467 C ALA A 336 -5.784 -12.060 2.489 1.00 0.00 C ATOM 468 O ALA A 336 -4.897 -12.811 2.134 1.00 0.00 O ATOM 469 CB ALA A 336 -5.680 -9.550 2.484 1.00 0.00 C ATOM 0 H ALA A 336 -3.382 -10.907 2.950 1.00 0.00 H new ATOM 0 HA ALA A 336 -6.147 -10.839 4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -6.717 -9.492 2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -5.441 -8.673 3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -5.023 -9.584 1.615 1.00 0.00 H new ATOM 475 N ASN A 337 -7.030 -12.287 2.172 1.00 0.00 N ATOM 476 CA ASN A 337 -7.383 -13.486 1.361 1.00 0.00 C ATOM 477 C ASN A 337 -7.324 -13.147 -0.130 1.00 0.00 C ATOM 478 O ASN A 337 -8.003 -12.258 -0.604 1.00 0.00 O ATOM 479 CB ASN A 337 -8.810 -13.843 1.779 1.00 0.00 C ATOM 480 CG ASN A 337 -8.826 -15.248 2.386 1.00 0.00 C ATOM 481 OD1 ASN A 337 -9.063 -15.409 3.565 1.00 0.00 O ATOM 482 ND2 ASN A 337 -8.580 -16.278 1.623 1.00 0.00 N ATOM 0 H ASN A 337 -7.817 -11.695 2.439 1.00 0.00 H new ATOM 0 HA ASN A 337 -6.695 -14.315 1.525 1.00 0.00 H new ATOM 0 HB2 ASN A 337 -9.181 -13.118 2.503 1.00 0.00 H new ATOM 0 HB3 ASN A 337 -9.475 -13.800 0.916 1.00 0.00 H new ATOM 0 HD21 ASN A 337 -8.587 -17.218 2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 337 -8.381 -16.142 0.632 1.00 0.00 H new ATOM 489 N LEU A 338 -6.512 -13.849 -0.872 1.00 0.00 N ATOM 490 CA LEU A 338 -6.403 -13.569 -2.332 1.00 0.00 C ATOM 491 C LEU A 338 -7.794 -13.427 -2.955 1.00 0.00 C ATOM 492 O LEU A 338 -8.077 -12.475 -3.655 1.00 0.00 O ATOM 493 CB LEU A 338 -5.674 -14.782 -2.919 1.00 0.00 C ATOM 494 CG LEU A 338 -4.389 -15.060 -2.127 1.00 0.00 C ATOM 495 CD1 LEU A 338 -3.454 -15.929 -2.969 1.00 0.00 C ATOM 496 CD2 LEU A 338 -3.686 -13.741 -1.793 1.00 0.00 C ATOM 0 H LEU A 338 -5.919 -14.605 -0.530 1.00 0.00 H new ATOM 0 HA LEU A 338 -5.872 -12.638 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 338 -6.325 -15.656 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 338 -5.433 -14.599 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 338 -4.643 -15.577 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 338 -2.540 -16.128 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 338 -3.948 -16.872 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 338 -3.207 -15.407 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 338 -2.775 -13.946 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 338 -3.433 -13.220 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 338 -4.349 -13.117 -1.194 1.00 0.00 H new ATOM 508 N GLU A 339 -8.666 -14.366 -2.705 1.00 0.00 N ATOM 509 CA GLU A 339 -10.037 -14.281 -3.284 1.00 0.00 C ATOM 510 C GLU A 339 -10.808 -13.118 -2.656 1.00 0.00 C ATOM 511 O GLU A 339 -11.904 -12.793 -3.067 1.00 0.00 O ATOM 512 CB GLU A 339 -10.698 -15.615 -2.931 1.00 0.00 C ATOM 513 CG GLU A 339 -10.638 -15.827 -1.418 1.00 0.00 C ATOM 514 CD GLU A 339 -10.239 -17.273 -1.120 1.00 0.00 C ATOM 515 OE1 GLU A 339 -11.066 -18.148 -1.320 1.00 0.00 O ATOM 516 OE2 GLU A 339 -9.114 -17.482 -0.696 1.00 0.00 O ATOM 0 H GLU A 339 -8.489 -15.187 -2.126 1.00 0.00 H new ATOM 0 HA GLU A 339 -10.020 -14.105 -4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -11.734 -15.621 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -10.191 -16.432 -3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 339 -9.918 -15.141 -0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -11.607 -15.607 -0.971 1.00 0.00 H new ATOM 523 N GLU A 340 -10.244 -12.488 -1.662 1.00 0.00 N ATOM 524 CA GLU A 340 -10.946 -11.346 -1.009 1.00 0.00 C ATOM 525 C GLU A 340 -10.108 -10.069 -1.129 1.00 0.00 C ATOM 526 O GLU A 340 -10.088 -9.243 -0.239 1.00 0.00 O ATOM 527 CB GLU A 340 -11.093 -11.757 0.456 1.00 0.00 C ATOM 528 CG GLU A 340 -12.026 -12.965 0.556 1.00 0.00 C ATOM 529 CD GLU A 340 -13.477 -12.485 0.642 1.00 0.00 C ATOM 530 OE1 GLU A 340 -13.755 -11.412 0.134 1.00 0.00 O ATOM 531 OE2 GLU A 340 -14.283 -13.200 1.213 1.00 0.00 O ATOM 0 H GLU A 340 -9.328 -12.714 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 340 -11.910 -11.135 -1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -10.117 -12.002 0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -11.492 -10.927 1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -11.896 -13.611 -0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -11.776 -13.559 1.435 1.00 0.00 H new ATOM 538 N VAL A 341 -9.418 -9.902 -2.224 1.00 0.00 N ATOM 539 CA VAL A 341 -8.585 -8.678 -2.402 1.00 0.00 C ATOM 540 C VAL A 341 -8.891 -8.029 -3.755 1.00 0.00 C ATOM 541 O VAL A 341 -9.327 -8.681 -4.683 1.00 0.00 O ATOM 542 CB VAL A 341 -7.136 -9.174 -2.350 1.00 0.00 C ATOM 543 CG1 VAL A 341 -6.210 -8.137 -2.991 1.00 0.00 C ATOM 544 CG2 VAL A 341 -6.725 -9.383 -0.890 1.00 0.00 C ATOM 0 H VAL A 341 -9.395 -10.560 -3.003 1.00 0.00 H new ATOM 0 HA VAL A 341 -8.781 -7.925 -1.639 1.00 0.00 H new ATOM 0 HB VAL A 341 -7.057 -10.115 -2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 341 -5.181 -8.494 -2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 341 -6.501 -7.982 -4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 341 -6.288 -7.195 -2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 341 -5.695 -9.736 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 341 -6.807 -8.440 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 341 -7.380 -10.123 -0.430 1.00 0.00 H new ATOM 554 N THR A 342 -8.664 -6.750 -3.874 1.00 0.00 N ATOM 555 CA THR A 342 -8.943 -6.060 -5.168 1.00 0.00 C ATOM 556 C THR A 342 -7.883 -4.988 -5.435 1.00 0.00 C ATOM 557 O THR A 342 -7.219 -4.520 -4.531 1.00 0.00 O ATOM 558 CB THR A 342 -10.319 -5.419 -4.986 1.00 0.00 C ATOM 559 OG1 THR A 342 -10.785 -4.942 -6.240 1.00 0.00 O ATOM 560 CG2 THR A 342 -10.214 -4.254 -4.001 1.00 0.00 C ATOM 0 H THR A 342 -8.298 -6.152 -3.133 1.00 0.00 H new ATOM 0 HA THR A 342 -8.921 -6.746 -6.015 1.00 0.00 H new ATOM 0 HB THR A 342 -11.018 -6.159 -4.596 1.00 0.00 H new ATOM 0 HG1 THR A 342 -11.668 -4.532 -6.126 1.00 0.00 H new ATOM 0 HG21 THR A 342 -11.195 -3.797 -3.872 1.00 0.00 H new ATOM 0 HG22 THR A 342 -9.855 -4.622 -3.040 1.00 0.00 H new ATOM 0 HG23 THR A 342 -9.517 -3.511 -4.389 1.00 0.00 H new ATOM 568 N MET A 343 -7.720 -4.596 -6.668 1.00 0.00 N ATOM 569 CA MET A 343 -6.703 -3.554 -6.988 1.00 0.00 C ATOM 570 C MET A 343 -6.779 -2.414 -5.969 1.00 0.00 C ATOM 571 O MET A 343 -5.779 -1.842 -5.588 1.00 0.00 O ATOM 572 CB MET A 343 -7.072 -3.052 -8.385 1.00 0.00 C ATOM 573 CG MET A 343 -8.343 -2.206 -8.306 1.00 0.00 C ATOM 574 SD MET A 343 -8.750 -1.574 -9.953 1.00 0.00 S ATOM 575 CE MET A 343 -8.699 0.187 -9.543 1.00 0.00 C ATOM 0 H MET A 343 -8.246 -4.951 -7.467 1.00 0.00 H new ATOM 0 HA MET A 343 -5.686 -3.945 -6.953 1.00 0.00 H new ATOM 0 HB2 MET A 343 -6.255 -2.461 -8.798 1.00 0.00 H new ATOM 0 HB3 MET A 343 -7.226 -3.896 -9.057 1.00 0.00 H new ATOM 0 HG2 MET A 343 -9.168 -2.805 -7.920 1.00 0.00 H new ATOM 0 HG3 MET A 343 -8.199 -1.378 -7.612 1.00 0.00 H new ATOM 0 HE1 MET A 343 -8.925 0.774 -10.433 1.00 0.00 H new ATOM 0 HE2 MET A 343 -9.436 0.402 -8.769 1.00 0.00 H new ATOM 0 HE3 MET A 343 -7.705 0.447 -9.180 1.00 0.00 H new ATOM 585 N LYS A 344 -7.958 -2.081 -5.523 1.00 0.00 N ATOM 586 CA LYS A 344 -8.090 -0.978 -4.528 1.00 0.00 C ATOM 587 C LYS A 344 -7.137 -1.213 -3.352 1.00 0.00 C ATOM 588 O LYS A 344 -6.334 -0.366 -3.013 1.00 0.00 O ATOM 589 CB LYS A 344 -9.545 -1.038 -4.059 1.00 0.00 C ATOM 590 CG LYS A 344 -9.990 0.354 -3.602 1.00 0.00 C ATOM 591 CD LYS A 344 -11.455 0.303 -3.166 1.00 0.00 C ATOM 592 CE LYS A 344 -12.226 1.445 -3.831 1.00 0.00 C ATOM 593 NZ LYS A 344 -12.700 0.884 -5.127 1.00 0.00 N ATOM 0 H LYS A 344 -8.834 -2.523 -5.803 1.00 0.00 H new ATOM 0 HA LYS A 344 -7.839 -0.006 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 344 -10.185 -1.389 -4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 344 -9.646 -1.751 -3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 344 -9.365 0.694 -2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 344 -9.865 1.072 -4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 344 -11.894 -0.656 -3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 344 -11.526 0.386 -2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 344 -13.062 1.770 -3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 344 -11.588 2.315 -3.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 344 -13.239 1.609 -5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 344 -11.882 0.589 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 344 -13.311 0.062 -4.947 1.00 0.00 H new ATOM 607 N GLN A 345 -7.218 -2.357 -2.730 1.00 0.00 N ATOM 608 CA GLN A 345 -6.315 -2.646 -1.579 1.00 0.00 C ATOM 609 C GLN A 345 -4.857 -2.676 -2.044 1.00 0.00 C ATOM 610 O GLN A 345 -3.967 -2.214 -1.359 1.00 0.00 O ATOM 611 CB GLN A 345 -6.746 -4.022 -1.073 1.00 0.00 C ATOM 612 CG GLN A 345 -8.014 -3.882 -0.229 1.00 0.00 C ATOM 613 CD GLN A 345 -7.658 -4.002 1.254 1.00 0.00 C ATOM 614 OE1 GLN A 345 -6.979 -5.037 1.668 1.00 0.00 O flip ATOM 615 NE2 GLN A 345 -8.003 -3.147 2.045 1.00 0.00 N flip ATOM 0 H GLN A 345 -7.870 -3.104 -2.969 1.00 0.00 H new ATOM 0 HA GLN A 345 -6.383 -1.886 -0.800 1.00 0.00 H new ATOM 0 HB2 GLN A 345 -6.929 -4.690 -1.915 1.00 0.00 H new ATOM 0 HB3 GLN A 345 -5.949 -4.469 -0.479 1.00 0.00 H new ATOM 0 HG2 GLN A 345 -8.488 -2.920 -0.423 1.00 0.00 H new ATOM 0 HG3 GLN A 345 -8.734 -4.653 -0.504 1.00 0.00 H new ATOM 0 HE21 GLN A 345 -8.534 -2.338 1.722 1.00 0.00 H new ATOM 0 HE22 GLN A 345 -7.762 -3.238 3.032 1.00 0.00 H new ATOM 624 N ILE A 346 -4.608 -3.214 -3.207 1.00 0.00 N ATOM 625 CA ILE A 346 -3.209 -3.271 -3.717 1.00 0.00 C ATOM 626 C ILE A 346 -2.712 -1.862 -4.046 1.00 0.00 C ATOM 627 O ILE A 346 -1.814 -1.347 -3.413 1.00 0.00 O ATOM 628 CB ILE A 346 -3.283 -4.127 -4.981 1.00 0.00 C ATOM 629 CG1 ILE A 346 -3.846 -5.508 -4.632 1.00 0.00 C ATOM 630 CG2 ILE A 346 -1.881 -4.285 -5.571 1.00 0.00 C ATOM 631 CD1 ILE A 346 -3.152 -6.046 -3.379 1.00 0.00 C ATOM 0 H ILE A 346 -5.312 -3.616 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 346 -2.517 -3.688 -2.986 1.00 0.00 H new ATOM 0 HB ILE A 346 -3.934 -3.643 -5.709 1.00 0.00 H new ATOM 0 HG12 ILE A 346 -4.921 -5.441 -4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 346 -3.696 -6.194 -5.466 1.00 0.00 H new ATOM 0 HG21 ILE A 346 -1.932 -4.895 -6.473 1.00 0.00 H new ATOM 0 HG22 ILE A 346 -1.478 -3.303 -5.820 1.00 0.00 H new ATOM 0 HG23 ILE A 346 -1.232 -4.769 -4.842 1.00 0.00 H new ATOM 0 HD11 ILE A 346 -3.555 -7.029 -3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 346 -2.081 -6.129 -3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 346 -3.325 -5.364 -2.546 1.00 0.00 H new ATOM 643 N CYS A 347 -3.292 -1.231 -5.029 1.00 0.00 N ATOM 644 CA CYS A 347 -2.853 0.147 -5.388 1.00 0.00 C ATOM 645 C CYS A 347 -2.800 1.022 -4.133 1.00 0.00 C ATOM 646 O CYS A 347 -1.930 1.856 -3.982 1.00 0.00 O ATOM 647 CB CYS A 347 -3.919 0.663 -6.356 1.00 0.00 C ATOM 648 SG CYS A 347 -3.278 0.605 -8.048 1.00 0.00 S ATOM 0 H CYS A 347 -4.049 -1.609 -5.598 1.00 0.00 H new ATOM 0 HA CYS A 347 -1.858 0.163 -5.833 1.00 0.00 H new ATOM 0 HB2 CYS A 347 -4.821 0.057 -6.277 1.00 0.00 H new ATOM 0 HB3 CYS A 347 -4.197 1.684 -6.096 1.00 0.00 H new ATOM 0 HG CYS A 347 -4.185 1.042 -8.871 1.00 0.00 H new ATOM 654 N LYS A 348 -3.724 0.833 -3.230 1.00 0.00 N ATOM 655 CA LYS A 348 -3.727 1.652 -1.984 1.00 0.00 C ATOM 656 C LYS A 348 -2.500 1.318 -1.132 1.00 0.00 C ATOM 657 O LYS A 348 -1.547 2.069 -1.080 1.00 0.00 O ATOM 658 CB LYS A 348 -5.012 1.257 -1.255 1.00 0.00 C ATOM 659 CG LYS A 348 -6.202 1.982 -1.888 1.00 0.00 C ATOM 660 CD LYS A 348 -6.417 3.322 -1.183 1.00 0.00 C ATOM 661 CE LYS A 348 -7.097 4.301 -2.143 1.00 0.00 C ATOM 662 NZ LYS A 348 -5.997 4.838 -2.992 1.00 0.00 N ATOM 0 H LYS A 348 -4.476 0.148 -3.301 1.00 0.00 H new ATOM 0 HA LYS A 348 -3.689 2.722 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 348 -5.158 0.178 -1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 348 -4.937 1.513 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 348 -6.020 2.143 -2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 348 -7.100 1.369 -1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 348 -7.031 3.182 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 348 -5.461 3.727 -0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 348 -7.853 3.800 -2.748 1.00 0.00 H new ATOM 0 HE3 LYS A 348 -7.602 5.100 -1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 -6.172 5.844 -3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 -5.091 4.737 -2.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 -5.959 4.309 -3.887 1.00 0.00 H new ATOM 676 N LYS A 349 -2.513 0.194 -0.466 1.00 0.00 N ATOM 677 CA LYS A 349 -1.342 -0.184 0.376 1.00 0.00 C ATOM 678 C LYS A 349 -0.051 0.008 -0.419 1.00 0.00 C ATOM 679 O LYS A 349 0.924 0.538 0.076 1.00 0.00 O ATOM 680 CB LYS A 349 -1.555 -1.661 0.712 1.00 0.00 C ATOM 681 CG LYS A 349 -2.745 -1.801 1.661 1.00 0.00 C ATOM 682 CD LYS A 349 -3.483 -3.108 1.368 1.00 0.00 C ATOM 683 CE LYS A 349 -3.901 -3.765 2.685 1.00 0.00 C ATOM 684 NZ LYS A 349 -2.704 -4.534 3.127 1.00 0.00 N ATOM 0 H LYS A 349 -3.282 -0.477 -0.469 1.00 0.00 H new ATOM 0 HA LYS A 349 -1.259 0.426 1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -1.735 -2.230 -0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -0.658 -2.073 1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -2.402 -1.789 2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -3.421 -0.955 1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -4.361 -2.912 0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -2.840 -3.782 0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -4.186 -3.018 3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -4.761 -4.419 2.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -2.923 -5.041 4.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -2.440 -5.218 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -1.913 -3.880 3.292 1.00 0.00 H new ATOM 698 N VAL A 350 -0.042 -0.412 -1.654 1.00 0.00 N ATOM 699 CA VAL A 350 1.181 -0.247 -2.487 1.00 0.00 C ATOM 700 C VAL A 350 1.658 1.205 -2.419 1.00 0.00 C ATOM 701 O VAL A 350 2.737 1.492 -1.941 1.00 0.00 O ATOM 702 CB VAL A 350 0.742 -0.602 -3.908 1.00 0.00 C ATOM 703 CG1 VAL A 350 1.799 -0.122 -4.903 1.00 0.00 C ATOM 704 CG2 VAL A 350 0.579 -2.118 -4.029 1.00 0.00 C ATOM 0 H VAL A 350 -0.829 -0.862 -2.122 1.00 0.00 H new ATOM 0 HA VAL A 350 2.006 -0.875 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 350 -0.209 -0.116 -4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 350 1.486 -0.375 -5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 350 1.915 0.959 -4.818 1.00 0.00 H new ATOM 0 HG13 VAL A 350 2.751 -0.607 -4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 350 0.266 -2.371 -5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 350 1.530 -2.605 -3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 350 -0.175 -2.461 -3.320 1.00 0.00 H new ATOM 714 N TYR A 351 0.856 2.122 -2.889 1.00 0.00 N ATOM 715 CA TYR A 351 1.258 3.557 -2.844 1.00 0.00 C ATOM 716 C TYR A 351 1.759 3.912 -1.442 1.00 0.00 C ATOM 717 O TYR A 351 2.747 4.599 -1.281 1.00 0.00 O ATOM 718 CB TYR A 351 -0.015 4.338 -3.176 1.00 0.00 C ATOM 719 CG TYR A 351 -0.449 4.054 -4.599 1.00 0.00 C ATOM 720 CD1 TYR A 351 0.383 3.332 -5.468 1.00 0.00 C ATOM 721 CD2 TYR A 351 -1.691 4.517 -5.050 1.00 0.00 C ATOM 722 CE1 TYR A 351 -0.029 3.076 -6.781 1.00 0.00 C ATOM 723 CE2 TYR A 351 -2.103 4.261 -6.363 1.00 0.00 C ATOM 724 CZ TYR A 351 -1.272 3.540 -7.229 1.00 0.00 C ATOM 725 OH TYR A 351 -1.677 3.288 -8.524 1.00 0.00 O ATOM 0 H TYR A 351 -0.059 1.940 -3.302 1.00 0.00 H new ATOM 0 HA TYR A 351 2.064 3.786 -3.541 1.00 0.00 H new ATOM 0 HB2 TYR A 351 -0.810 4.062 -2.484 1.00 0.00 H new ATOM 0 HB3 TYR A 351 0.162 5.406 -3.049 1.00 0.00 H new ATOM 0 HD1 TYR A 351 1.342 2.974 -5.124 1.00 0.00 H new ATOM 0 HD2 TYR A 351 -2.333 5.073 -4.383 1.00 0.00 H new ATOM 0 HE1 TYR A 351 0.612 2.520 -7.449 1.00 0.00 H new ATOM 0 HE2 TYR A 351 -3.062 4.620 -6.708 1.00 0.00 H new ATOM 0 HH TYR A 351 -2.202 2.461 -8.547 1.00 0.00 H new ATOM 735 N GLU A 352 1.085 3.444 -0.425 1.00 0.00 N ATOM 736 CA GLU A 352 1.528 3.752 0.965 1.00 0.00 C ATOM 737 C GLU A 352 3.041 3.541 1.082 1.00 0.00 C ATOM 738 O GLU A 352 3.742 4.325 1.690 1.00 0.00 O ATOM 739 CB GLU A 352 0.773 2.760 1.851 1.00 0.00 C ATOM 740 CG GLU A 352 0.809 3.241 3.305 1.00 0.00 C ATOM 741 CD GLU A 352 0.873 2.034 4.241 1.00 0.00 C ATOM 742 OE1 GLU A 352 1.529 1.067 3.886 1.00 0.00 O ATOM 743 OE2 GLU A 352 0.265 2.094 5.296 1.00 0.00 O ATOM 0 H GLU A 352 0.249 2.864 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 352 1.324 4.783 1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 352 -0.259 2.667 1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 352 1.224 1.771 1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 352 1.674 3.885 3.465 1.00 0.00 H new ATOM 0 HG3 GLU A 352 -0.077 3.837 3.524 1.00 0.00 H new ATOM 750 N ASN A 353 3.546 2.488 0.498 1.00 0.00 N ATOM 751 CA ASN A 353 5.012 2.227 0.567 1.00 0.00 C ATOM 752 C ASN A 353 5.729 2.961 -0.568 1.00 0.00 C ATOM 753 O ASN A 353 6.932 3.137 -0.547 1.00 0.00 O ATOM 754 CB ASN A 353 5.154 0.713 0.399 1.00 0.00 C ATOM 755 CG ASN A 353 5.749 0.111 1.673 1.00 0.00 C ATOM 756 OD1 ASN A 353 5.360 0.469 2.767 1.00 0.00 O ATOM 757 ND2 ASN A 353 6.682 -0.796 1.578 1.00 0.00 N ATOM 0 H ASN A 353 3.006 1.797 -0.024 1.00 0.00 H new ATOM 0 HA ASN A 353 5.451 2.576 1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 353 4.181 0.267 0.193 1.00 0.00 H new ATOM 0 HB3 ASN A 353 5.794 0.490 -0.455 1.00 0.00 H new ATOM 0 HD21 ASN A 353 7.084 -1.204 2.422 1.00 0.00 H new ATOM 0 HD22 ASN A 353 7.009 -1.097 0.660 1.00 0.00 H new ATOM 764 N TYR A 354 4.999 3.392 -1.562 1.00 0.00 N ATOM 765 CA TYR A 354 5.636 4.117 -2.699 1.00 0.00 C ATOM 766 C TYR A 354 4.928 5.453 -2.946 1.00 0.00 C ATOM 767 O TYR A 354 4.612 5.788 -4.071 1.00 0.00 O ATOM 768 CB TYR A 354 5.462 3.189 -3.901 1.00 0.00 C ATOM 769 CG TYR A 354 6.155 1.875 -3.629 1.00 0.00 C ATOM 770 CD1 TYR A 354 7.527 1.853 -3.348 1.00 0.00 C ATOM 771 CD2 TYR A 354 5.427 0.680 -3.657 1.00 0.00 C ATOM 772 CE1 TYR A 354 8.169 0.635 -3.095 1.00 0.00 C ATOM 773 CE2 TYR A 354 6.069 -0.537 -3.404 1.00 0.00 C ATOM 774 CZ TYR A 354 7.441 -0.560 -3.123 1.00 0.00 C ATOM 775 OH TYR A 354 8.074 -1.760 -2.873 1.00 0.00 O ATOM 0 H TYR A 354 3.989 3.273 -1.635 1.00 0.00 H new ATOM 0 HA TYR A 354 6.684 4.348 -2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 354 4.402 3.020 -4.093 1.00 0.00 H new ATOM 0 HB3 TYR A 354 5.878 3.653 -4.795 1.00 0.00 H new ATOM 0 HD1 TYR A 354 8.089 2.775 -3.327 1.00 0.00 H new ATOM 0 HD2 TYR A 354 4.369 0.697 -3.874 1.00 0.00 H new ATOM 0 HE1 TYR A 354 9.227 0.617 -2.878 1.00 0.00 H new ATOM 0 HE2 TYR A 354 5.507 -1.459 -3.425 1.00 0.00 H new ATOM 0 HH TYR A 354 8.825 -1.612 -2.261 1.00 0.00 H new ATOM 785 N PRO A 355 4.700 6.173 -1.880 1.00 0.00 N ATOM 786 CA PRO A 355 4.020 7.487 -1.981 1.00 0.00 C ATOM 787 C PRO A 355 4.968 8.534 -2.574 1.00 0.00 C ATOM 788 O PRO A 355 4.544 9.546 -3.095 1.00 0.00 O ATOM 789 CB PRO A 355 3.678 7.827 -0.534 1.00 0.00 C ATOM 790 CG PRO A 355 4.672 7.069 0.287 1.00 0.00 C ATOM 791 CD PRO A 355 5.049 5.837 -0.495 1.00 0.00 C ATOM 0 HA PRO A 355 3.143 7.466 -2.628 1.00 0.00 H new ATOM 0 HB2 PRO A 355 3.752 8.899 -0.352 1.00 0.00 H new ATOM 0 HB3 PRO A 355 2.657 7.532 -0.290 1.00 0.00 H new ATOM 0 HG2 PRO A 355 5.551 7.681 0.488 1.00 0.00 H new ATOM 0 HG3 PRO A 355 4.246 6.796 1.252 1.00 0.00 H new ATOM 0 HD2 PRO A 355 6.110 5.610 -0.395 1.00 0.00 H new ATOM 0 HD3 PRO A 355 4.502 4.961 -0.147 1.00 0.00 H new ATOM 799 N THR A 356 6.249 8.297 -2.497 1.00 0.00 N ATOM 800 CA THR A 356 7.224 9.278 -3.054 1.00 0.00 C ATOM 801 C THR A 356 7.775 8.777 -4.394 1.00 0.00 C ATOM 802 O THR A 356 8.933 8.967 -4.709 1.00 0.00 O ATOM 803 CB THR A 356 8.341 9.362 -2.013 1.00 0.00 C ATOM 804 OG1 THR A 356 8.662 8.054 -1.561 1.00 0.00 O ATOM 805 CG2 THR A 356 7.881 10.215 -0.830 1.00 0.00 C ATOM 0 H THR A 356 6.663 7.467 -2.073 1.00 0.00 H new ATOM 0 HA THR A 356 6.768 10.250 -3.242 1.00 0.00 H new ATOM 0 HB THR A 356 9.222 9.819 -2.463 1.00 0.00 H new ATOM 0 HG1 THR A 356 9.379 8.105 -0.895 1.00 0.00 H new ATOM 0 HG21 THR A 356 8.680 10.272 -0.090 1.00 0.00 H new ATOM 0 HG22 THR A 356 7.636 11.218 -1.178 1.00 0.00 H new ATOM 0 HG23 THR A 356 6.999 9.763 -0.377 1.00 0.00 H new ATOM 813 N TYR A 357 6.954 8.139 -5.184 1.00 0.00 N ATOM 814 CA TYR A 357 7.433 7.628 -6.501 1.00 0.00 C ATOM 815 C TYR A 357 6.346 7.801 -7.565 1.00 0.00 C ATOM 816 O TYR A 357 5.168 7.700 -7.286 1.00 0.00 O ATOM 817 CB TYR A 357 7.721 6.143 -6.272 1.00 0.00 C ATOM 818 CG TYR A 357 9.042 5.987 -5.555 1.00 0.00 C ATOM 819 CD1 TYR A 357 10.186 6.621 -6.050 1.00 0.00 C ATOM 820 CD2 TYR A 357 9.119 5.208 -4.394 1.00 0.00 C ATOM 821 CE1 TYR A 357 11.411 6.475 -5.386 1.00 0.00 C ATOM 822 CE2 TYR A 357 10.343 5.062 -3.730 1.00 0.00 C ATOM 823 CZ TYR A 357 11.489 5.697 -4.225 1.00 0.00 C ATOM 824 OH TYR A 357 12.694 5.553 -3.569 1.00 0.00 O ATOM 0 H TYR A 357 5.974 7.950 -4.975 1.00 0.00 H new ATOM 0 HA TYR A 357 8.313 8.166 -6.853 1.00 0.00 H new ATOM 0 HB2 TYR A 357 6.921 5.694 -5.683 1.00 0.00 H new ATOM 0 HB3 TYR A 357 7.749 5.616 -7.226 1.00 0.00 H new ATOM 0 HD1 TYR A 357 10.125 7.223 -6.944 1.00 0.00 H new ATOM 0 HD2 TYR A 357 8.235 4.720 -4.011 1.00 0.00 H new ATOM 0 HE1 TYR A 357 12.295 6.963 -5.770 1.00 0.00 H new ATOM 0 HE2 TYR A 357 10.403 4.459 -2.836 1.00 0.00 H new ATOM 0 HH TYR A 357 12.572 4.982 -2.782 1.00 0.00 H new ATOM 834 N ASP A 358 6.733 8.053 -8.787 1.00 0.00 N ATOM 835 CA ASP A 358 5.722 8.223 -9.870 1.00 0.00 C ATOM 836 C ASP A 358 5.357 6.858 -10.456 1.00 0.00 C ATOM 837 O ASP A 358 5.250 6.690 -11.654 1.00 0.00 O ATOM 838 CB ASP A 358 6.410 9.091 -10.924 1.00 0.00 C ATOM 839 CG ASP A 358 5.513 9.204 -12.158 1.00 0.00 C ATOM 840 OD1 ASP A 358 4.588 10.000 -12.123 1.00 0.00 O ATOM 841 OD2 ASP A 358 5.765 8.494 -13.117 1.00 0.00 O ATOM 0 H ASP A 358 7.705 8.148 -9.082 1.00 0.00 H new ATOM 0 HA ASP A 358 4.799 8.678 -9.511 1.00 0.00 H new ATOM 0 HB2 ASP A 358 6.614 10.082 -10.518 1.00 0.00 H new ATOM 0 HB3 ASP A 358 7.371 8.655 -11.198 1.00 0.00 H new ATOM 846 N LEU A 359 5.172 5.878 -9.614 1.00 0.00 N ATOM 847 CA LEU A 359 4.824 4.517 -10.112 1.00 0.00 C ATOM 848 C LEU A 359 3.775 4.598 -11.225 1.00 0.00 C ATOM 849 O LEU A 359 2.593 4.715 -10.972 1.00 0.00 O ATOM 850 CB LEU A 359 4.251 3.786 -8.900 1.00 0.00 C ATOM 851 CG LEU A 359 5.249 2.737 -8.409 1.00 0.00 C ATOM 852 CD1 LEU A 359 5.610 1.798 -9.559 1.00 0.00 C ATOM 853 CD2 LEU A 359 6.515 3.433 -7.906 1.00 0.00 C ATOM 0 H LEU A 359 5.247 5.962 -8.600 1.00 0.00 H new ATOM 0 HA LEU A 359 5.690 4.006 -10.532 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.036 4.498 -8.103 1.00 0.00 H new ATOM 0 HB3 LEU A 359 3.308 3.308 -9.164 1.00 0.00 H new ATOM 0 HG LEU A 359 4.801 2.163 -7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 359 6.322 1.050 -9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 359 4.709 1.301 -9.919 1.00 0.00 H new ATOM 0 HD13 LEU A 359 6.057 2.372 -10.371 1.00 0.00 H new ATOM 0 HD21 LEU A 359 7.227 2.685 -7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 359 6.962 4.007 -8.718 1.00 0.00 H new ATOM 0 HD23 LEU A 359 6.260 4.103 -7.085 1.00 0.00 H new ATOM 865 N THR A 360 4.200 4.515 -12.453 1.00 0.00 N ATOM 866 CA THR A 360 3.232 4.562 -13.585 1.00 0.00 C ATOM 867 C THR A 360 3.242 3.211 -14.301 1.00 0.00 C ATOM 868 O THR A 360 2.255 2.498 -14.332 1.00 0.00 O ATOM 869 CB THR A 360 3.738 5.671 -14.512 1.00 0.00 C ATOM 870 OG1 THR A 360 4.954 6.201 -14.004 1.00 0.00 O ATOM 871 CG2 THR A 360 2.690 6.782 -14.596 1.00 0.00 C ATOM 0 H THR A 360 5.178 4.416 -12.724 1.00 0.00 H new ATOM 0 HA THR A 360 2.211 4.760 -13.260 1.00 0.00 H new ATOM 0 HB THR A 360 3.913 5.260 -15.506 1.00 0.00 H new ATOM 0 HG1 THR A 360 4.759 6.832 -13.280 1.00 0.00 H new ATOM 0 HG21 THR A 360 3.049 7.572 -15.256 1.00 0.00 H new ATOM 0 HG22 THR A 360 1.759 6.375 -14.991 1.00 0.00 H new ATOM 0 HG23 THR A 360 2.514 7.192 -13.602 1.00 0.00 H new ATOM 879 N GLU A 361 4.365 2.843 -14.853 1.00 0.00 N ATOM 880 CA GLU A 361 4.461 1.527 -15.543 1.00 0.00 C ATOM 881 C GLU A 361 4.542 0.424 -14.490 1.00 0.00 C ATOM 882 O GLU A 361 3.844 -0.570 -14.556 1.00 0.00 O ATOM 883 CB GLU A 361 5.754 1.594 -16.359 1.00 0.00 C ATOM 884 CG GLU A 361 5.788 2.896 -17.162 1.00 0.00 C ATOM 885 CD GLU A 361 6.572 2.677 -18.457 1.00 0.00 C ATOM 886 OE1 GLU A 361 6.039 2.034 -19.347 1.00 0.00 O ATOM 887 OE2 GLU A 361 7.693 3.154 -18.536 1.00 0.00 O ATOM 0 H GLU A 361 5.221 3.398 -14.856 1.00 0.00 H new ATOM 0 HA GLU A 361 3.603 1.316 -16.181 1.00 0.00 H new ATOM 0 HB2 GLU A 361 6.617 1.541 -15.696 1.00 0.00 H new ATOM 0 HB3 GLU A 361 5.816 0.739 -17.032 1.00 0.00 H new ATOM 0 HG2 GLU A 361 4.773 3.222 -17.390 1.00 0.00 H new ATOM 0 HG3 GLU A 361 6.252 3.687 -16.573 1.00 0.00 H new ATOM 894 N ARG A 362 5.377 0.607 -13.504 1.00 0.00 N ATOM 895 CA ARG A 362 5.493 -0.412 -12.427 1.00 0.00 C ATOM 896 C ARG A 362 4.176 -0.468 -11.653 1.00 0.00 C ATOM 897 O ARG A 362 3.830 -1.473 -11.063 1.00 0.00 O ATOM 898 CB ARG A 362 6.631 0.081 -11.533 1.00 0.00 C ATOM 899 CG ARG A 362 7.963 -0.468 -12.049 1.00 0.00 C ATOM 900 CD ARG A 362 8.698 0.623 -12.829 1.00 0.00 C ATOM 901 NE ARG A 362 8.985 0.020 -14.160 1.00 0.00 N ATOM 902 CZ ARG A 362 9.388 0.774 -15.145 1.00 0.00 C ATOM 903 NH1 ARG A 362 10.109 1.834 -14.902 1.00 0.00 N ATOM 904 NH2 ARG A 362 9.071 0.470 -16.373 1.00 0.00 N ATOM 0 H ARG A 362 5.984 1.420 -13.399 1.00 0.00 H new ATOM 0 HA ARG A 362 5.694 -1.414 -12.806 1.00 0.00 H new ATOM 0 HB2 ARG A 362 6.654 1.171 -11.524 1.00 0.00 H new ATOM 0 HB3 ARG A 362 6.466 -0.243 -10.505 1.00 0.00 H new ATOM 0 HG2 ARG A 362 8.576 -0.808 -11.214 1.00 0.00 H new ATOM 0 HG3 ARG A 362 7.788 -1.333 -12.689 1.00 0.00 H new ATOM 0 HD2 ARG A 362 8.085 1.519 -12.926 1.00 0.00 H new ATOM 0 HD3 ARG A 362 9.617 0.918 -12.323 1.00 0.00 H new ATOM 0 HE ARG A 362 8.866 -0.983 -14.301 1.00 0.00 H new ATOM 0 HH11 ARG A 362 10.357 2.073 -13.942 1.00 0.00 H new ATOM 0 HH12 ARG A 362 10.424 2.424 -15.672 1.00 0.00 H new ATOM 0 HH21 ARG A 362 8.507 -0.358 -16.564 1.00 0.00 H new ATOM 0 HH22 ARG A 362 9.387 1.061 -17.142 1.00 0.00 H new ATOM 918 N LYS A 363 3.428 0.604 -11.668 1.00 0.00 N ATOM 919 CA LYS A 363 2.122 0.613 -10.953 1.00 0.00 C ATOM 920 C LYS A 363 1.188 -0.395 -11.617 1.00 0.00 C ATOM 921 O LYS A 363 0.685 -1.302 -10.984 1.00 0.00 O ATOM 922 CB LYS A 363 1.584 2.034 -11.113 1.00 0.00 C ATOM 923 CG LYS A 363 0.128 2.086 -10.644 1.00 0.00 C ATOM 924 CD LYS A 363 -0.799 2.080 -11.861 1.00 0.00 C ATOM 925 CE LYS A 363 -1.945 1.094 -11.624 1.00 0.00 C ATOM 926 NZ LYS A 363 -3.181 1.856 -11.952 1.00 0.00 N ATOM 0 H LYS A 363 3.667 1.473 -12.145 1.00 0.00 H new ATOM 0 HA LYS A 363 2.212 0.341 -9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 363 2.189 2.731 -10.533 1.00 0.00 H new ATOM 0 HB3 LYS A 363 1.652 2.345 -12.156 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.090 1.232 -10.003 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -0.042 2.983 -10.048 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -1.196 3.080 -12.034 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -0.242 1.799 -12.755 1.00 0.00 H new ATOM 0 HE2 LYS A 363 -1.845 0.212 -12.257 1.00 0.00 H new ATOM 0 HE3 LYS A 363 -1.959 0.745 -10.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 -4.012 1.246 -11.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 -3.253 2.686 -11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 -3.143 2.170 -12.943 1.00 0.00 H new ATOM 940 N ASP A 364 0.970 -0.258 -12.898 1.00 0.00 N ATOM 941 CA ASP A 364 0.088 -1.230 -13.599 1.00 0.00 C ATOM 942 C ASP A 364 0.582 -2.646 -13.301 1.00 0.00 C ATOM 943 O ASP A 364 -0.180 -3.590 -13.255 1.00 0.00 O ATOM 944 CB ASP A 364 0.236 -0.907 -15.086 1.00 0.00 C ATOM 945 CG ASP A 364 -1.082 -0.343 -15.620 1.00 0.00 C ATOM 946 OD1 ASP A 364 -2.087 -1.023 -15.497 1.00 0.00 O ATOM 947 OD2 ASP A 364 -1.064 0.760 -16.141 1.00 0.00 O ATOM 0 H ASP A 364 1.362 0.479 -13.484 1.00 0.00 H new ATOM 0 HA ASP A 364 -0.953 -1.167 -13.284 1.00 0.00 H new ATOM 0 HB2 ASP A 364 1.039 -0.185 -15.234 1.00 0.00 H new ATOM 0 HB3 ASP A 364 0.510 -1.806 -15.639 1.00 0.00 H new ATOM 952 N PHE A 365 1.862 -2.788 -13.080 1.00 0.00 N ATOM 953 CA PHE A 365 2.427 -4.128 -12.761 1.00 0.00 C ATOM 954 C PHE A 365 1.944 -4.561 -11.372 1.00 0.00 C ATOM 955 O PHE A 365 1.468 -5.663 -11.183 1.00 0.00 O ATOM 956 CB PHE A 365 3.951 -3.920 -12.796 1.00 0.00 C ATOM 957 CG PHE A 365 4.639 -4.811 -11.784 1.00 0.00 C ATOM 958 CD1 PHE A 365 4.789 -6.179 -12.043 1.00 0.00 C ATOM 959 CD2 PHE A 365 5.127 -4.268 -10.589 1.00 0.00 C ATOM 960 CE1 PHE A 365 5.426 -7.003 -11.107 1.00 0.00 C ATOM 961 CE2 PHE A 365 5.765 -5.093 -9.654 1.00 0.00 C ATOM 962 CZ PHE A 365 5.914 -6.460 -9.914 1.00 0.00 C ATOM 0 H PHE A 365 2.542 -2.028 -13.107 1.00 0.00 H new ATOM 0 HA PHE A 365 2.120 -4.910 -13.456 1.00 0.00 H new ATOM 0 HB2 PHE A 365 4.329 -4.137 -13.795 1.00 0.00 H new ATOM 0 HB3 PHE A 365 4.185 -2.876 -12.587 1.00 0.00 H new ATOM 0 HD1 PHE A 365 4.413 -6.599 -12.965 1.00 0.00 H new ATOM 0 HD2 PHE A 365 5.011 -3.213 -10.388 1.00 0.00 H new ATOM 0 HE1 PHE A 365 5.541 -8.058 -11.306 1.00 0.00 H new ATOM 0 HE2 PHE A 365 6.142 -4.674 -8.733 1.00 0.00 H new ATOM 0 HZ PHE A 365 6.406 -7.096 -9.193 1.00 0.00 H new ATOM 972 N ILE A 366 2.058 -3.695 -10.403 1.00 0.00 N ATOM 973 CA ILE A 366 1.601 -4.048 -9.030 1.00 0.00 C ATOM 974 C ILE A 366 0.186 -4.625 -9.088 1.00 0.00 C ATOM 975 O ILE A 366 -0.033 -5.786 -8.811 1.00 0.00 O ATOM 976 CB ILE A 366 1.611 -2.728 -8.259 1.00 0.00 C ATOM 977 CG1 ILE A 366 3.052 -2.230 -8.121 1.00 0.00 C ATOM 978 CG2 ILE A 366 1.012 -2.941 -6.868 1.00 0.00 C ATOM 979 CD1 ILE A 366 3.045 -0.768 -7.670 1.00 0.00 C ATOM 0 H ILE A 366 2.448 -2.758 -10.503 1.00 0.00 H new ATOM 0 HA ILE A 366 2.236 -4.798 -8.558 1.00 0.00 H new ATOM 0 HB ILE A 366 1.019 -1.989 -8.799 1.00 0.00 H new ATOM 0 HG12 ILE A 366 3.592 -2.842 -7.399 1.00 0.00 H new ATOM 0 HG13 ILE A 366 3.574 -2.326 -9.073 1.00 0.00 H new ATOM 0 HG21 ILE A 366 1.020 -1.999 -6.320 1.00 0.00 H new ATOM 0 HG22 ILE A 366 -0.014 -3.296 -6.964 1.00 0.00 H new ATOM 0 HG23 ILE A 366 1.602 -3.680 -6.327 1.00 0.00 H new ATOM 0 HD11 ILE A 366 4.071 -0.413 -7.571 1.00 0.00 H new ATOM 0 HD12 ILE A 366 2.520 -0.162 -8.409 1.00 0.00 H new ATOM 0 HD13 ILE A 366 2.539 -0.686 -6.708 1.00 0.00 H new ATOM 991 N LYS A 367 -0.776 -3.825 -9.456 1.00 0.00 N ATOM 992 CA LYS A 367 -2.174 -4.333 -9.539 1.00 0.00 C ATOM 993 C LYS A 367 -2.208 -5.645 -10.327 1.00 0.00 C ATOM 994 O LYS A 367 -2.842 -6.602 -9.931 1.00 0.00 O ATOM 995 CB LYS A 367 -2.949 -3.242 -10.279 1.00 0.00 C ATOM 996 CG LYS A 367 -4.335 -3.767 -10.658 1.00 0.00 C ATOM 997 CD LYS A 367 -4.304 -4.301 -12.092 1.00 0.00 C ATOM 998 CE LYS A 367 -4.442 -3.135 -13.075 1.00 0.00 C ATOM 999 NZ LYS A 367 -5.903 -3.033 -13.347 1.00 0.00 N ATOM 0 H LYS A 367 -0.655 -2.843 -9.703 1.00 0.00 H new ATOM 0 HA LYS A 367 -2.600 -4.539 -8.557 1.00 0.00 H new ATOM 0 HB2 LYS A 367 -3.043 -2.358 -9.649 1.00 0.00 H new ATOM 0 HB3 LYS A 367 -2.406 -2.939 -11.174 1.00 0.00 H new ATOM 0 HG2 LYS A 367 -4.637 -4.557 -9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 367 -5.074 -2.970 -10.571 1.00 0.00 H new ATOM 0 HD2 LYS A 367 -3.371 -4.834 -12.273 1.00 0.00 H new ATOM 0 HD3 LYS A 367 -5.113 -5.015 -12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 367 -4.054 -2.210 -12.648 1.00 0.00 H new ATOM 0 HE3 LYS A 367 -3.882 -3.322 -13.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 -6.078 -2.255 -14.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 -6.242 -3.925 -13.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 -6.410 -2.848 -12.458 1.00 0.00 H new ATOM 1013 N THR A 368 -1.529 -5.694 -11.440 1.00 0.00 N ATOM 1014 CA THR A 368 -1.519 -6.942 -12.254 1.00 0.00 C ATOM 1015 C THR A 368 -0.881 -8.087 -11.461 1.00 0.00 C ATOM 1016 O THR A 368 -1.162 -9.246 -11.692 1.00 0.00 O ATOM 1017 CB THR A 368 -0.673 -6.605 -13.483 1.00 0.00 C ATOM 1018 OG1 THR A 368 -1.311 -5.575 -14.227 1.00 0.00 O ATOM 1019 CG2 THR A 368 -0.523 -7.849 -14.360 1.00 0.00 C ATOM 0 H THR A 368 -0.980 -4.923 -11.821 1.00 0.00 H new ATOM 0 HA THR A 368 -2.524 -7.266 -12.526 1.00 0.00 H new ATOM 0 HB THR A 368 0.313 -6.268 -13.163 1.00 0.00 H new ATOM 0 HG1 THR A 368 -1.216 -4.722 -13.753 1.00 0.00 H new ATOM 0 HG21 THR A 368 0.080 -7.607 -15.235 1.00 0.00 H new ATOM 0 HG22 THR A 368 -0.034 -8.639 -13.790 1.00 0.00 H new ATOM 0 HG23 THR A 368 -1.508 -8.189 -14.681 1.00 0.00 H new ATOM 1027 N THR A 369 -0.026 -7.771 -10.527 1.00 0.00 N ATOM 1028 CA THR A 369 0.626 -8.846 -9.723 1.00 0.00 C ATOM 1029 C THR A 369 -0.411 -9.521 -8.816 1.00 0.00 C ATOM 1030 O THR A 369 -0.394 -10.720 -8.622 1.00 0.00 O ATOM 1031 CB THR A 369 1.721 -8.129 -8.910 1.00 0.00 C ATOM 1032 OG1 THR A 369 2.876 -8.956 -8.855 1.00 0.00 O ATOM 1033 CG2 THR A 369 1.244 -7.835 -7.481 1.00 0.00 C ATOM 0 H THR A 369 0.249 -6.819 -10.286 1.00 0.00 H new ATOM 0 HA THR A 369 1.053 -9.638 -10.339 1.00 0.00 H new ATOM 0 HB THR A 369 1.952 -7.183 -9.399 1.00 0.00 H new ATOM 0 HG1 THR A 369 3.577 -8.505 -8.340 1.00 0.00 H new ATOM 0 HG21 THR A 369 2.036 -7.329 -6.930 1.00 0.00 H new ATOM 0 HG22 THR A 369 0.361 -7.196 -7.516 1.00 0.00 H new ATOM 0 HG23 THR A 369 0.995 -8.771 -6.981 1.00 0.00 H new ATOM 1041 N VAL A 370 -1.313 -8.758 -8.261 1.00 0.00 N ATOM 1042 CA VAL A 370 -2.349 -9.354 -7.373 1.00 0.00 C ATOM 1043 C VAL A 370 -3.522 -9.863 -8.212 1.00 0.00 C ATOM 1044 O VAL A 370 -3.983 -10.974 -8.043 1.00 0.00 O ATOM 1045 CB VAL A 370 -2.794 -8.211 -6.462 1.00 0.00 C ATOM 1046 CG1 VAL A 370 -3.938 -8.686 -5.564 1.00 0.00 C ATOM 1047 CG2 VAL A 370 -1.615 -7.769 -5.593 1.00 0.00 C ATOM 0 H VAL A 370 -1.377 -7.748 -8.385 1.00 0.00 H new ATOM 0 HA VAL A 370 -1.972 -10.203 -6.802 1.00 0.00 H new ATOM 0 HB VAL A 370 -3.136 -7.373 -7.070 1.00 0.00 H new ATOM 0 HG11 VAL A 370 -4.254 -7.869 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 370 -4.778 -9.004 -6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 370 -3.598 -9.523 -4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 370 -1.929 -6.953 -4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 370 -1.276 -8.608 -4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 370 -0.799 -7.430 -6.232 1.00 0.00 H new ATOM 1057 N LYS A 371 -4.001 -9.060 -9.123 1.00 0.00 N ATOM 1058 CA LYS A 371 -5.138 -9.502 -9.979 1.00 0.00 C ATOM 1059 C LYS A 371 -4.788 -10.827 -10.658 1.00 0.00 C ATOM 1060 O LYS A 371 -5.645 -11.648 -10.923 1.00 0.00 O ATOM 1061 CB LYS A 371 -5.306 -8.392 -11.018 1.00 0.00 C ATOM 1062 CG LYS A 371 -6.635 -8.574 -11.750 1.00 0.00 C ATOM 1063 CD LYS A 371 -7.334 -7.219 -11.881 1.00 0.00 C ATOM 1064 CE LYS A 371 -8.458 -7.122 -10.846 1.00 0.00 C ATOM 1065 NZ LYS A 371 -9.516 -8.045 -11.342 1.00 0.00 N ATOM 0 H LYS A 371 -3.655 -8.119 -9.311 1.00 0.00 H new ATOM 0 HA LYS A 371 -6.053 -9.664 -9.410 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -5.277 -7.417 -10.532 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -4.481 -8.418 -11.729 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -6.463 -9.004 -12.737 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -7.270 -9.272 -11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -6.617 -6.412 -11.731 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -7.740 -7.103 -12.886 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -8.110 -7.416 -9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -8.831 -6.101 -10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -10.414 -7.528 -11.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -9.240 -8.421 -12.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -9.633 -8.831 -10.671 1.00 0.00 H new ATOM 1079 N GLU A 372 -3.531 -11.046 -10.933 1.00 0.00 N ATOM 1080 CA GLU A 372 -3.121 -12.321 -11.585 1.00 0.00 C ATOM 1081 C GLU A 372 -2.917 -13.396 -10.516 1.00 0.00 C ATOM 1082 O GLU A 372 -3.082 -14.575 -10.759 1.00 0.00 O ATOM 1083 CB GLU A 372 -1.808 -12.001 -12.308 1.00 0.00 C ATOM 1084 CG GLU A 372 -0.648 -11.993 -11.308 1.00 0.00 C ATOM 1085 CD GLU A 372 0.033 -13.364 -11.307 1.00 0.00 C ATOM 1086 OE1 GLU A 372 -0.240 -14.139 -12.209 1.00 0.00 O ATOM 1087 OE2 GLU A 372 0.815 -13.614 -10.405 1.00 0.00 O ATOM 0 H GLU A 372 -2.770 -10.396 -10.734 1.00 0.00 H new ATOM 0 HA GLU A 372 -3.869 -12.700 -12.281 1.00 0.00 H new ATOM 0 HB2 GLU A 372 -1.622 -12.741 -13.087 1.00 0.00 H new ATOM 0 HB3 GLU A 372 -1.881 -11.031 -12.800 1.00 0.00 H new ATOM 0 HG2 GLU A 372 0.071 -11.218 -11.574 1.00 0.00 H new ATOM 0 HG3 GLU A 372 -1.016 -11.757 -10.310 1.00 0.00 H new ATOM 1094 N LEU A 373 -2.573 -12.990 -9.324 1.00 0.00 N ATOM 1095 CA LEU A 373 -2.376 -13.971 -8.226 1.00 0.00 C ATOM 1096 C LEU A 373 -3.748 -14.416 -7.718 1.00 0.00 C ATOM 1097 O LEU A 373 -3.885 -15.425 -7.056 1.00 0.00 O ATOM 1098 CB LEU A 373 -1.583 -13.202 -7.157 1.00 0.00 C ATOM 1099 CG LEU A 373 -2.030 -13.613 -5.749 1.00 0.00 C ATOM 1100 CD1 LEU A 373 -0.908 -13.322 -4.751 1.00 0.00 C ATOM 1101 CD2 LEU A 373 -3.275 -12.811 -5.362 1.00 0.00 C ATOM 0 H LEU A 373 -2.420 -12.015 -9.065 1.00 0.00 H new ATOM 0 HA LEU A 373 -1.843 -14.873 -8.525 1.00 0.00 H new ATOM 0 HB2 LEU A 373 -0.517 -13.398 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 373 -1.727 -12.130 -7.291 1.00 0.00 H new ATOM 0 HG LEU A 373 -2.260 -14.678 -5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 373 -1.226 -13.614 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 373 -0.018 -13.887 -5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 373 -0.679 -12.256 -4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 373 -3.597 -13.099 -4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 373 -3.041 -11.747 -5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 373 -4.075 -13.015 -6.074 1.00 0.00 H new ATOM 1113 N ILE A 374 -4.768 -13.663 -8.032 1.00 0.00 N ATOM 1114 CA ILE A 374 -6.135 -14.036 -7.580 1.00 0.00 C ATOM 1115 C ILE A 374 -6.835 -14.858 -8.666 1.00 0.00 C ATOM 1116 O ILE A 374 -7.707 -15.658 -8.390 1.00 0.00 O ATOM 1117 CB ILE A 374 -6.861 -12.709 -7.361 1.00 0.00 C ATOM 1118 CG1 ILE A 374 -6.275 -12.004 -6.137 1.00 0.00 C ATOM 1119 CG2 ILE A 374 -8.350 -12.973 -7.130 1.00 0.00 C ATOM 1120 CD1 ILE A 374 -7.170 -10.827 -5.748 1.00 0.00 C ATOM 0 H ILE A 374 -4.711 -12.806 -8.582 1.00 0.00 H new ATOM 0 HA ILE A 374 -6.121 -14.642 -6.674 1.00 0.00 H new ATOM 0 HB ILE A 374 -6.736 -12.078 -8.241 1.00 0.00 H new ATOM 0 HG12 ILE A 374 -6.195 -12.704 -5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 374 -5.267 -11.651 -6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 374 -8.867 -12.026 -6.974 1.00 0.00 H new ATOM 0 HG22 ILE A 374 -8.770 -13.477 -8.001 1.00 0.00 H new ATOM 0 HG23 ILE A 374 -8.475 -13.604 -6.250 1.00 0.00 H new ATOM 0 HD11 ILE A 374 -6.752 -10.325 -4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 374 -7.228 -10.124 -6.579 1.00 0.00 H new ATOM 0 HD13 ILE A 374 -8.169 -11.192 -5.512 1.00 0.00 H new ATOM 1132 N SER A 375 -6.457 -14.665 -9.902 1.00 0.00 N ATOM 1133 CA SER A 375 -7.096 -15.433 -11.008 1.00 0.00 C ATOM 1134 C SER A 375 -6.261 -16.673 -11.339 1.00 0.00 C ATOM 1135 O SER A 375 -6.781 -17.692 -11.748 1.00 0.00 O ATOM 1136 CB SER A 375 -7.119 -14.470 -12.195 1.00 0.00 C ATOM 1137 OG SER A 375 -5.971 -13.635 -12.144 1.00 0.00 O ATOM 0 H SER A 375 -5.733 -14.008 -10.193 1.00 0.00 H new ATOM 0 HA SER A 375 -8.095 -15.782 -10.747 1.00 0.00 H new ATOM 0 HB2 SER A 375 -7.135 -15.028 -13.131 1.00 0.00 H new ATOM 0 HB3 SER A 375 -8.025 -13.864 -12.169 1.00 0.00 H new ATOM 0 HG SER A 375 -6.201 -12.789 -11.706 1.00 0.00 H new ATOM 1143 N LEU A 376 -4.969 -16.594 -11.167 1.00 0.00 N ATOM 1144 CA LEU A 376 -4.104 -17.769 -11.473 1.00 0.00 C ATOM 1145 C LEU A 376 -3.692 -18.476 -10.180 1.00 0.00 C ATOM 1146 O LEU A 376 -3.592 -19.686 -10.127 1.00 0.00 O ATOM 1147 CB LEU A 376 -2.877 -17.186 -12.177 1.00 0.00 C ATOM 1148 CG LEU A 376 -3.326 -16.320 -13.355 1.00 0.00 C ATOM 1149 CD1 LEU A 376 -2.103 -15.659 -13.996 1.00 0.00 C ATOM 1150 CD2 LEU A 376 -4.032 -17.196 -14.392 1.00 0.00 C ATOM 0 H LEU A 376 -4.476 -15.768 -10.828 1.00 0.00 H new ATOM 0 HA LEU A 376 -4.617 -18.508 -12.089 1.00 0.00 H new ATOM 0 HB2 LEU A 376 -2.292 -16.590 -11.476 1.00 0.00 H new ATOM 0 HB3 LEU A 376 -2.231 -17.990 -12.529 1.00 0.00 H new ATOM 0 HG LEU A 376 -4.012 -15.551 -13.000 1.00 0.00 H new ATOM 0 HD11 LEU A 376 -2.422 -15.041 -14.836 1.00 0.00 H new ATOM 0 HD12 LEU A 376 -1.598 -15.036 -13.258 1.00 0.00 H new ATOM 0 HD13 LEU A 376 -1.418 -16.429 -14.351 1.00 0.00 H new ATOM 0 HD21 LEU A 376 -4.352 -16.579 -15.232 1.00 0.00 H new ATOM 0 HD22 LEU A 376 -3.345 -17.964 -14.747 1.00 0.00 H new ATOM 0 HD23 LEU A 376 -4.902 -17.669 -13.937 1.00 0.00 H new ATOM 1162 N GLU A 377 -3.450 -17.731 -9.137 1.00 0.00 N ATOM 1163 CA GLU A 377 -3.042 -18.359 -7.850 1.00 0.00 C ATOM 1164 C GLU A 377 -4.021 -17.970 -6.739 1.00 0.00 C ATOM 1165 O GLU A 377 -3.632 -17.699 -5.621 1.00 0.00 O ATOM 1166 CB GLU A 377 -1.648 -17.799 -7.560 1.00 0.00 C ATOM 1167 CG GLU A 377 -0.871 -18.788 -6.690 1.00 0.00 C ATOM 1168 CD GLU A 377 0.291 -19.374 -7.494 1.00 0.00 C ATOM 1169 OE1 GLU A 377 0.654 -18.775 -8.493 1.00 0.00 O ATOM 1170 OE2 GLU A 377 0.797 -20.410 -7.097 1.00 0.00 O ATOM 0 H GLU A 377 -3.517 -16.713 -9.121 1.00 0.00 H new ATOM 0 HA GLU A 377 -3.040 -19.448 -7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 377 -1.114 -17.622 -8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 377 -1.729 -16.838 -7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 377 -0.494 -18.286 -5.799 1.00 0.00 H new ATOM 0 HG3 GLU A 377 -1.531 -19.586 -6.351 1.00 0.00 H new ATOM 1177 N HIS A 378 -5.291 -17.939 -7.041 1.00 0.00 N ATOM 1178 CA HIS A 378 -6.298 -17.567 -6.006 1.00 0.00 C ATOM 1179 C HIS A 378 -5.960 -18.235 -4.670 1.00 0.00 C ATOM 1180 O HIS A 378 -6.197 -19.426 -4.550 1.00 0.00 O ATOM 1181 CB HIS A 378 -7.631 -18.087 -6.544 1.00 0.00 C ATOM 1182 CG HIS A 378 -7.469 -19.513 -6.990 1.00 0.00 C ATOM 1183 ND1 HIS A 378 -6.935 -20.066 -8.128 1.00 0.00 N flip ATOM 1184 CD2 HIS A 378 -7.888 -20.582 -6.213 1.00 0.00 C flip ATOM 1185 CE1 HIS A 378 -7.021 -21.453 -8.061 1.00 0.00 C flip ATOM 1186 NE2 HIS A 378 -7.603 -21.711 -6.887 1.00 0.00 N flip ATOM 1187 OXT HIS A 378 -5.469 -17.546 -3.792 1.00 0.00 O ATOM 0 H HIS A 378 -5.675 -18.155 -7.961 1.00 0.00 H new ATOM 0 HA HIS A 378 -6.323 -16.493 -5.824 1.00 0.00 H new ATOM 0 HB2 HIS A 378 -8.398 -18.021 -5.772 1.00 0.00 H new ATOM 0 HB3 HIS A 378 -7.965 -17.470 -7.378 1.00 0.00 H new ATOM 0 HD2 HIS A 378 -8.358 -20.520 -5.243 1.00 0.00 H new ATOM 0 HE1 HIS A 378 -6.689 -22.167 -8.800 1.00 0.00 H new ATOM 0 HE2 HIS A 378 -7.807 -22.650 -6.543 1.00 0.00 H new