USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 488 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 Single : A 162 SER OG : rot -23:sc= 0.0374 USER MOD Single : A 167 ASN : amide:sc=-0.00901 X(o=-0.009,f=-0.03) USER MOD Single : A 169 THR OG1 : rot -140:sc= 0 USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 172 SER OG : rot 167:sc= 1.2 USER MOD Single : A 173 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 178 THR OG1 : rot 173:sc= 1.19 USER MOD Single : A 182 SER OG : rot 180:sc= 0.786 USER MOD Single : A 183 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 MET CE :methyl 173:sc= 0 (180deg=-0.0716) USER MOD Single : A 204 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 THR OG1 : rot 180:sc= 0 USER MOD Single : A 209 ASN : amide:sc= -0.0749 X(o=-0.075,f=-0.075) USER MOD Single : A 210 SER OG : rot -121:sc= 0.252 USER MOD Single : A 219 GLN : amide:sc= 0.552 K(o=0.55,f=-2.6!) USER MOD Single : A 220 TYR OH : rot -103:sc= 0.398 USER MOD Single : A 226 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 313 N SER A 162 51.453 18.848 8.415 1.00 0.00 N ATOM 314 CA SER A 162 52.204 17.835 9.174 1.00 0.00 C ATOM 315 C SER A 162 51.354 16.637 9.634 1.00 0.00 C ATOM 316 O SER A 162 50.126 16.639 9.552 1.00 0.00 O ATOM 317 CB SER A 162 52.916 18.489 10.376 1.00 0.00 C ATOM 318 OG SER A 162 52.013 19.141 11.256 1.00 0.00 O ATOM 0 HA SER A 162 52.941 17.425 8.484 1.00 0.00 H new ATOM 0 HB2 SER A 162 53.467 17.726 10.926 1.00 0.00 H new ATOM 0 HB3 SER A 162 53.648 19.210 10.012 1.00 0.00 H new ATOM 0 HG SER A 162 51.195 19.377 10.770 1.00 0.00 H new ATOM 324 N ILE A 163 52.024 15.580 10.106 1.00 0.00 N ATOM 325 CA ILE A 163 51.415 14.283 10.434 1.00 0.00 C ATOM 326 C ILE A 163 51.984 13.754 11.757 1.00 0.00 C ATOM 327 O ILE A 163 53.193 13.835 12.005 1.00 0.00 O ATOM 328 CB ILE A 163 51.607 13.283 9.263 1.00 0.00 C ATOM 329 CG1 ILE A 163 53.095 13.013 8.960 1.00 0.00 C ATOM 330 CG2 ILE A 163 50.890 13.790 7.996 1.00 0.00 C ATOM 331 CD1 ILE A 163 53.361 11.830 8.036 1.00 0.00 C ATOM 0 H ILE A 163 53.030 15.602 10.275 1.00 0.00 H new ATOM 0 HA ILE A 163 50.341 14.409 10.570 1.00 0.00 H new ATOM 0 HB ILE A 163 51.162 12.338 9.575 1.00 0.00 H new ATOM 0 HG12 ILE A 163 53.527 13.908 8.513 1.00 0.00 H new ATOM 0 HG13 ILE A 163 53.617 12.843 9.902 1.00 0.00 H new ATOM 0 HG21 ILE A 163 51.036 13.076 7.185 1.00 0.00 H new ATOM 0 HG22 ILE A 163 49.824 13.896 8.199 1.00 0.00 H new ATOM 0 HG23 ILE A 163 51.302 14.757 7.707 1.00 0.00 H new ATOM 0 HD11 ILE A 163 54.435 11.722 7.884 1.00 0.00 H new ATOM 0 HD12 ILE A 163 52.965 10.920 8.487 1.00 0.00 H new ATOM 0 HD13 ILE A 163 52.874 12.001 7.076 1.00 0.00 H new ATOM 343 N PHE A 164 51.106 13.203 12.594 1.00 0.00 N ATOM 344 CA PHE A 164 51.455 12.488 13.823 1.00 0.00 C ATOM 345 C PHE A 164 51.428 10.976 13.561 1.00 0.00 C ATOM 346 O PHE A 164 50.641 10.504 12.744 1.00 0.00 O ATOM 347 CB PHE A 164 50.473 12.893 14.933 1.00 0.00 C ATOM 348 CG PHE A 164 50.672 12.144 16.240 1.00 0.00 C ATOM 349 CD1 PHE A 164 51.673 12.552 17.141 1.00 0.00 C ATOM 350 CD2 PHE A 164 49.880 11.018 16.537 1.00 0.00 C ATOM 351 CE1 PHE A 164 51.869 11.847 18.342 1.00 0.00 C ATOM 352 CE2 PHE A 164 50.076 10.314 17.739 1.00 0.00 C ATOM 353 CZ PHE A 164 51.065 10.734 18.644 1.00 0.00 C ATOM 0 H PHE A 164 50.100 13.243 12.431 1.00 0.00 H new ATOM 0 HA PHE A 164 52.462 12.750 14.147 1.00 0.00 H new ATOM 0 HB2 PHE A 164 50.574 13.962 15.120 1.00 0.00 H new ATOM 0 HB3 PHE A 164 49.455 12.725 14.582 1.00 0.00 H new ATOM 0 HD1 PHE A 164 52.291 13.407 16.910 1.00 0.00 H new ATOM 0 HD2 PHE A 164 49.121 10.694 15.841 1.00 0.00 H new ATOM 0 HE1 PHE A 164 52.638 12.161 19.033 1.00 0.00 H new ATOM 0 HE2 PHE A 164 49.467 9.452 17.966 1.00 0.00 H new ATOM 0 HZ PHE A 164 51.208 10.201 19.573 1.00 0.00 H new ATOM 363 N VAL A 165 52.274 10.223 14.261 1.00 0.00 N ATOM 364 CA VAL A 165 52.512 8.788 14.054 1.00 0.00 C ATOM 365 C VAL A 165 52.313 8.057 15.389 1.00 0.00 C ATOM 366 O VAL A 165 52.840 8.495 16.415 1.00 0.00 O ATOM 367 CB VAL A 165 53.932 8.535 13.484 1.00 0.00 C ATOM 368 CG1 VAL A 165 54.129 7.080 13.028 1.00 0.00 C ATOM 369 CG2 VAL A 165 54.269 9.447 12.286 1.00 0.00 C ATOM 0 H VAL A 165 52.837 10.607 15.020 1.00 0.00 H new ATOM 0 HA VAL A 165 51.802 8.404 13.322 1.00 0.00 H new ATOM 0 HB VAL A 165 54.601 8.761 14.314 1.00 0.00 H new ATOM 0 HG11 VAL A 165 55.139 6.955 12.637 1.00 0.00 H new ATOM 0 HG12 VAL A 165 53.982 6.410 13.875 1.00 0.00 H new ATOM 0 HG13 VAL A 165 53.406 6.842 12.248 1.00 0.00 H new ATOM 0 HG21 VAL A 165 55.275 9.224 11.930 1.00 0.00 H new ATOM 0 HG22 VAL A 165 53.553 9.272 11.483 1.00 0.00 H new ATOM 0 HG23 VAL A 165 54.217 10.490 12.597 1.00 0.00 H new ATOM 379 N GLY A 166 51.541 6.962 15.369 1.00 0.00 N ATOM 380 CA GLY A 166 51.208 6.127 16.537 1.00 0.00 C ATOM 381 C GLY A 166 52.377 5.253 16.998 1.00 0.00 C ATOM 382 O GLY A 166 53.526 5.605 16.772 1.00 0.00 O ATOM 0 H GLY A 166 51.114 6.619 14.509 1.00 0.00 H new ATOM 0 HA2 GLY A 166 50.895 6.770 17.360 1.00 0.00 H new ATOM 0 HA3 GLY A 166 50.359 5.489 16.291 1.00 0.00 H new ATOM 386 N ASN A 167 52.109 4.122 17.661 1.00 0.00 N ATOM 387 CA ASN A 167 53.140 3.354 18.390 1.00 0.00 C ATOM 388 C ASN A 167 54.359 2.942 17.529 1.00 0.00 C ATOM 389 O ASN A 167 55.496 3.096 17.975 1.00 0.00 O ATOM 390 CB ASN A 167 52.505 2.124 19.063 1.00 0.00 C ATOM 391 CG ASN A 167 51.370 2.484 20.021 1.00 0.00 C ATOM 392 OD1 ASN A 167 50.203 2.490 19.648 1.00 0.00 O ATOM 393 ND2 ASN A 167 51.662 2.783 21.273 1.00 0.00 N ATOM 0 H ASN A 167 51.177 3.710 17.711 1.00 0.00 H new ATOM 0 HA ASN A 167 53.539 4.029 19.147 1.00 0.00 H new ATOM 0 HB2 ASN A 167 52.124 1.453 18.294 1.00 0.00 H new ATOM 0 HB3 ASN A 167 53.274 1.579 19.609 1.00 0.00 H new ATOM 0 HD21 ASN A 167 50.917 3.019 21.928 1.00 0.00 H new ATOM 0 HD22 ASN A 167 52.633 2.778 21.585 1.00 0.00 H new ATOM 400 N LEU A 168 54.100 2.483 16.292 1.00 0.00 N ATOM 401 CA LEU A 168 55.048 2.293 15.173 1.00 0.00 C ATOM 402 C LEU A 168 56.254 1.358 15.460 1.00 0.00 C ATOM 403 O LEU A 168 56.312 0.673 16.484 1.00 0.00 O ATOM 404 CB LEU A 168 55.447 3.693 14.609 1.00 0.00 C ATOM 405 CG LEU A 168 56.739 4.381 15.150 1.00 0.00 C ATOM 406 CD1 LEU A 168 57.681 4.707 13.977 1.00 0.00 C ATOM 407 CD2 LEU A 168 56.481 5.683 15.921 1.00 0.00 C ATOM 0 H LEU A 168 53.153 2.214 16.025 1.00 0.00 H new ATOM 0 HA LEU A 168 54.527 1.729 14.400 1.00 0.00 H new ATOM 0 HB2 LEU A 168 55.553 3.596 13.529 1.00 0.00 H new ATOM 0 HB3 LEU A 168 54.612 4.371 14.788 1.00 0.00 H new ATOM 0 HG LEU A 168 57.181 3.669 15.847 1.00 0.00 H new ATOM 0 HD11 LEU A 168 58.583 5.187 14.357 1.00 0.00 H new ATOM 0 HD12 LEU A 168 57.951 3.786 13.460 1.00 0.00 H new ATOM 0 HD13 LEU A 168 57.177 5.379 13.282 1.00 0.00 H new ATOM 0 HD21 LEU A 168 57.429 6.097 16.263 1.00 0.00 H new ATOM 0 HD22 LEU A 168 55.986 6.401 15.267 1.00 0.00 H new ATOM 0 HD23 LEU A 168 55.844 5.476 16.781 1.00 0.00 H new ATOM 419 N THR A 169 57.228 1.354 14.535 1.00 0.00 N ATOM 420 CA THR A 169 58.573 0.781 14.691 1.00 0.00 C ATOM 421 C THR A 169 59.450 1.701 15.547 1.00 0.00 C ATOM 422 O THR A 169 60.353 2.393 15.078 1.00 0.00 O ATOM 423 CB THR A 169 59.161 0.383 13.327 1.00 0.00 C ATOM 424 OG1 THR A 169 60.402 -0.227 13.575 1.00 0.00 O ATOM 425 CG2 THR A 169 59.339 1.482 12.274 1.00 0.00 C ATOM 0 H THR A 169 57.091 1.771 13.614 1.00 0.00 H new ATOM 0 HA THR A 169 58.522 -0.155 15.247 1.00 0.00 H new ATOM 0 HB THR A 169 58.416 -0.271 12.873 1.00 0.00 H new ATOM 0 HG1 THR A 169 61.049 0.061 12.898 1.00 0.00 H new ATOM 0 HG21 THR A 169 59.763 1.051 11.367 1.00 0.00 H new ATOM 0 HG22 THR A 169 58.371 1.928 12.046 1.00 0.00 H new ATOM 0 HG23 THR A 169 60.010 2.250 12.659 1.00 0.00 H new ATOM 433 N TYR A 170 59.169 1.718 16.852 1.00 0.00 N ATOM 434 CA TYR A 170 59.884 2.552 17.830 1.00 0.00 C ATOM 435 C TYR A 170 61.356 2.120 18.051 1.00 0.00 C ATOM 436 O TYR A 170 62.138 2.846 18.670 1.00 0.00 O ATOM 437 CB TYR A 170 59.078 2.570 19.138 1.00 0.00 C ATOM 438 CG TYR A 170 59.406 3.720 20.072 1.00 0.00 C ATOM 439 CD1 TYR A 170 59.014 5.031 19.730 1.00 0.00 C ATOM 440 CD2 TYR A 170 60.076 3.485 21.289 1.00 0.00 C ATOM 441 CE1 TYR A 170 59.298 6.105 20.597 1.00 0.00 C ATOM 442 CE2 TYR A 170 60.363 4.554 22.159 1.00 0.00 C ATOM 443 CZ TYR A 170 59.977 5.870 21.813 1.00 0.00 C ATOM 444 OH TYR A 170 60.257 6.905 22.652 1.00 0.00 O ATOM 0 H TYR A 170 58.432 1.148 17.267 1.00 0.00 H new ATOM 0 HA TYR A 170 59.958 3.564 17.431 1.00 0.00 H new ATOM 0 HB2 TYR A 170 58.017 2.610 18.894 1.00 0.00 H new ATOM 0 HB3 TYR A 170 59.248 1.632 19.666 1.00 0.00 H new ATOM 0 HD1 TYR A 170 58.495 5.212 18.801 1.00 0.00 H new ATOM 0 HD2 TYR A 170 60.371 2.481 21.556 1.00 0.00 H new ATOM 0 HE1 TYR A 170 58.997 7.108 20.332 1.00 0.00 H new ATOM 0 HE2 TYR A 170 60.878 4.369 23.090 1.00 0.00 H new ATOM 0 HH TYR A 170 60.726 6.567 23.443 1.00 0.00 H new ATOM 454 N ASP A 171 61.750 0.962 17.502 1.00 0.00 N ATOM 455 CA ASP A 171 63.145 0.512 17.387 1.00 0.00 C ATOM 456 C ASP A 171 63.936 1.260 16.289 1.00 0.00 C ATOM 457 O ASP A 171 65.164 1.160 16.250 1.00 0.00 O ATOM 458 CB ASP A 171 63.178 -1.001 17.104 1.00 0.00 C ATOM 459 CG ASP A 171 62.723 -1.857 18.296 1.00 0.00 C ATOM 460 OD1 ASP A 171 63.346 -1.761 19.383 1.00 0.00 O ATOM 461 OD2 ASP A 171 61.778 -2.664 18.125 1.00 0.00 O ATOM 0 H ASP A 171 61.086 0.292 17.114 1.00 0.00 H new ATOM 0 HA ASP A 171 63.629 0.737 18.337 1.00 0.00 H new ATOM 0 HB2 ASP A 171 62.539 -1.216 16.247 1.00 0.00 H new ATOM 0 HB3 ASP A 171 64.192 -1.289 16.826 1.00 0.00 H new ATOM 466 N SER A 172 63.271 2.017 15.410 1.00 0.00 N ATOM 467 CA SER A 172 63.901 2.735 14.292 1.00 0.00 C ATOM 468 C SER A 172 64.101 4.242 14.562 1.00 0.00 C ATOM 469 O SER A 172 63.344 4.876 15.309 1.00 0.00 O ATOM 470 CB SER A 172 63.093 2.518 13.004 1.00 0.00 C ATOM 471 OG SER A 172 63.922 2.763 11.883 1.00 0.00 O ATOM 0 H SER A 172 62.261 2.152 15.455 1.00 0.00 H new ATOM 0 HA SER A 172 64.900 2.315 14.175 1.00 0.00 H new ATOM 0 HB2 SER A 172 62.708 1.499 12.970 1.00 0.00 H new ATOM 0 HB3 SER A 172 62.231 3.185 12.986 1.00 0.00 H new ATOM 0 HG SER A 172 63.482 2.432 11.072 1.00 0.00 H new ATOM 477 N THR A 173 65.136 4.825 13.938 1.00 0.00 N ATOM 478 CA THR A 173 65.520 6.251 14.018 1.00 0.00 C ATOM 479 C THR A 173 64.680 7.115 13.060 1.00 0.00 C ATOM 480 O THR A 173 64.265 6.605 12.019 1.00 0.00 O ATOM 481 CB THR A 173 67.022 6.405 13.719 1.00 0.00 C ATOM 482 OG1 THR A 173 67.371 5.671 12.563 1.00 0.00 O ATOM 483 CG2 THR A 173 67.871 5.886 14.880 1.00 0.00 C ATOM 0 H THR A 173 65.761 4.292 13.333 1.00 0.00 H new ATOM 0 HA THR A 173 65.322 6.603 15.030 1.00 0.00 H new ATOM 0 HB THR A 173 67.214 7.467 13.569 1.00 0.00 H new ATOM 0 HG1 THR A 173 68.328 5.779 12.383 1.00 0.00 H new ATOM 0 HG21 THR A 173 68.927 6.007 14.641 1.00 0.00 H new ATOM 0 HG22 THR A 173 67.636 6.450 15.783 1.00 0.00 H new ATOM 0 HG23 THR A 173 67.655 4.830 15.045 1.00 0.00 H new ATOM 491 N PRO A 174 64.458 8.420 13.339 1.00 0.00 N ATOM 492 CA PRO A 174 63.553 9.267 12.554 1.00 0.00 C ATOM 493 C PRO A 174 63.931 9.446 11.077 1.00 0.00 C ATOM 494 O PRO A 174 63.033 9.647 10.264 1.00 0.00 O ATOM 495 CB PRO A 174 63.503 10.618 13.272 1.00 0.00 C ATOM 496 CG PRO A 174 64.757 10.635 14.144 1.00 0.00 C ATOM 497 CD PRO A 174 64.964 9.162 14.486 1.00 0.00 C ATOM 0 HA PRO A 174 62.582 8.774 12.505 1.00 0.00 H new ATOM 0 HB2 PRO A 174 63.502 11.445 12.562 1.00 0.00 H new ATOM 0 HB3 PRO A 174 62.600 10.714 13.874 1.00 0.00 H new ATOM 0 HG2 PRO A 174 65.613 11.049 13.611 1.00 0.00 H new ATOM 0 HG3 PRO A 174 64.617 11.240 15.039 1.00 0.00 H new ATOM 0 HD2 PRO A 174 66.018 8.944 14.660 1.00 0.00 H new ATOM 0 HD3 PRO A 174 64.428 8.891 15.396 1.00 0.00 H new ATOM 505 N GLU A 175 65.210 9.319 10.695 1.00 0.00 N ATOM 506 CA GLU A 175 65.611 9.398 9.280 1.00 0.00 C ATOM 507 C GLU A 175 65.092 8.222 8.429 1.00 0.00 C ATOM 508 O GLU A 175 65.008 8.335 7.203 1.00 0.00 O ATOM 509 CB GLU A 175 67.135 9.548 9.152 1.00 0.00 C ATOM 510 CG GLU A 175 67.629 10.938 9.578 1.00 0.00 C ATOM 511 CD GLU A 175 67.184 12.030 8.588 1.00 0.00 C ATOM 512 OE1 GLU A 175 67.909 12.268 7.592 1.00 0.00 O ATOM 513 OE2 GLU A 175 66.116 12.651 8.798 1.00 0.00 O ATOM 0 H GLU A 175 65.983 9.162 11.342 1.00 0.00 H new ATOM 0 HA GLU A 175 65.135 10.291 8.876 1.00 0.00 H new ATOM 0 HB2 GLU A 175 67.624 8.790 9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 175 67.429 9.363 8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 175 67.247 11.171 10.572 1.00 0.00 H new ATOM 0 HG3 GLU A 175 68.717 10.932 9.648 1.00 0.00 H new ATOM 520 N ASP A 176 64.668 7.125 9.063 1.00 0.00 N ATOM 521 CA ASP A 176 63.970 6.013 8.412 1.00 0.00 C ATOM 522 C ASP A 176 62.543 6.417 7.995 1.00 0.00 C ATOM 523 O ASP A 176 62.077 6.004 6.932 1.00 0.00 O ATOM 524 CB ASP A 176 63.955 4.825 9.383 1.00 0.00 C ATOM 525 CG ASP A 176 63.491 3.497 8.768 1.00 0.00 C ATOM 526 OD1 ASP A 176 63.927 3.154 7.643 1.00 0.00 O ATOM 527 OD2 ASP A 176 62.753 2.764 9.474 1.00 0.00 O ATOM 0 H ASP A 176 64.803 6.982 10.064 1.00 0.00 H new ATOM 0 HA ASP A 176 64.492 5.733 7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 176 64.959 4.691 9.787 1.00 0.00 H new ATOM 0 HB3 ASP A 176 63.303 5.068 10.222 1.00 0.00 H new ATOM 532 N LEU A 177 61.879 7.283 8.780 1.00 0.00 N ATOM 533 CA LEU A 177 60.642 7.954 8.367 1.00 0.00 C ATOM 534 C LEU A 177 60.912 9.069 7.347 1.00 0.00 C ATOM 535 O LEU A 177 60.074 9.274 6.471 1.00 0.00 O ATOM 536 CB LEU A 177 59.867 8.521 9.575 1.00 0.00 C ATOM 537 CG LEU A 177 59.361 7.490 10.601 1.00 0.00 C ATOM 538 CD1 LEU A 177 58.602 8.226 11.716 1.00 0.00 C ATOM 539 CD2 LEU A 177 58.446 6.418 9.986 1.00 0.00 C ATOM 0 H LEU A 177 62.188 7.535 9.719 1.00 0.00 H new ATOM 0 HA LEU A 177 60.024 7.194 7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 177 60.511 9.232 10.092 1.00 0.00 H new ATOM 0 HB3 LEU A 177 59.010 9.081 9.200 1.00 0.00 H new ATOM 0 HG LEU A 177 60.236 6.971 10.993 1.00 0.00 H new ATOM 0 HD11 LEU A 177 58.240 7.504 12.448 1.00 0.00 H new ATOM 0 HD12 LEU A 177 59.271 8.934 12.205 1.00 0.00 H new ATOM 0 HD13 LEU A 177 57.756 8.763 11.287 1.00 0.00 H new ATOM 0 HD21 LEU A 177 58.125 5.724 10.763 1.00 0.00 H new ATOM 0 HD22 LEU A 177 57.572 6.896 9.543 1.00 0.00 H new ATOM 0 HD23 LEU A 177 58.991 5.873 9.215 1.00 0.00 H new ATOM 551 N THR A 178 62.059 9.765 7.409 1.00 0.00 N ATOM 552 CA THR A 178 62.411 10.798 6.419 1.00 0.00 C ATOM 553 C THR A 178 62.547 10.178 5.036 1.00 0.00 C ATOM 554 O THR A 178 61.889 10.638 4.107 1.00 0.00 O ATOM 555 CB THR A 178 63.697 11.548 6.791 1.00 0.00 C ATOM 556 OG1 THR A 178 63.602 12.048 8.099 1.00 0.00 O ATOM 557 CG2 THR A 178 63.924 12.757 5.881 1.00 0.00 C ATOM 0 H THR A 178 62.761 9.631 8.137 1.00 0.00 H new ATOM 0 HA THR A 178 61.601 11.527 6.413 1.00 0.00 H new ATOM 0 HB THR A 178 64.516 10.837 6.688 1.00 0.00 H new ATOM 0 HG1 THR A 178 64.466 12.422 8.370 1.00 0.00 H new ATOM 0 HG21 THR A 178 64.843 13.265 6.173 1.00 0.00 H new ATOM 0 HG22 THR A 178 64.006 12.423 4.847 1.00 0.00 H new ATOM 0 HG23 THR A 178 63.084 13.445 5.974 1.00 0.00 H new ATOM 565 N GLU A 179 63.332 9.107 4.896 1.00 0.00 N ATOM 566 CA GLU A 179 63.531 8.429 3.609 1.00 0.00 C ATOM 567 C GLU A 179 62.214 7.859 3.043 1.00 0.00 C ATOM 568 O GLU A 179 61.993 7.886 1.830 1.00 0.00 O ATOM 569 CB GLU A 179 64.596 7.331 3.776 1.00 0.00 C ATOM 570 CG GLU A 179 65.016 6.714 2.436 1.00 0.00 C ATOM 571 CD GLU A 179 66.176 5.725 2.617 1.00 0.00 C ATOM 572 OE1 GLU A 179 67.354 6.160 2.618 1.00 0.00 O ATOM 573 OE2 GLU A 179 65.923 4.503 2.740 1.00 0.00 O ATOM 0 H GLU A 179 63.847 8.685 5.668 1.00 0.00 H new ATOM 0 HA GLU A 179 63.881 9.161 2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 179 65.472 7.751 4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 179 64.208 6.548 4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 179 64.165 6.202 1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 179 65.313 7.504 1.746 1.00 0.00 H new ATOM 580 N PHE A 180 61.317 7.401 3.923 1.00 0.00 N ATOM 581 CA PHE A 180 59.983 6.899 3.596 1.00 0.00 C ATOM 582 C PHE A 180 59.079 8.021 3.062 1.00 0.00 C ATOM 583 O PHE A 180 58.699 8.007 1.891 1.00 0.00 O ATOM 584 CB PHE A 180 59.429 6.246 4.871 1.00 0.00 C ATOM 585 CG PHE A 180 58.112 5.500 4.786 1.00 0.00 C ATOM 586 CD1 PHE A 180 57.964 4.416 3.900 1.00 0.00 C ATOM 587 CD2 PHE A 180 57.093 5.782 5.717 1.00 0.00 C ATOM 588 CE1 PHE A 180 56.831 3.587 3.983 1.00 0.00 C ATOM 589 CE2 PHE A 180 55.955 4.962 5.790 1.00 0.00 C ATOM 590 CZ PHE A 180 55.834 3.851 4.938 1.00 0.00 C ATOM 0 H PHE A 180 61.511 7.370 4.924 1.00 0.00 H new ATOM 0 HA PHE A 180 60.025 6.162 2.794 1.00 0.00 H new ATOM 0 HB2 PHE A 180 60.182 5.550 5.241 1.00 0.00 H new ATOM 0 HB3 PHE A 180 59.320 7.027 5.623 1.00 0.00 H new ATOM 0 HD1 PHE A 180 58.722 4.221 3.156 1.00 0.00 H new ATOM 0 HD2 PHE A 180 57.187 6.632 6.377 1.00 0.00 H new ATOM 0 HE1 PHE A 180 56.727 2.747 3.312 1.00 0.00 H new ATOM 0 HE2 PHE A 180 55.173 5.185 6.501 1.00 0.00 H new ATOM 0 HZ PHE A 180 54.976 3.200 5.017 1.00 0.00 H new ATOM 600 N PHE A 181 58.766 9.013 3.905 1.00 0.00 N ATOM 601 CA PHE A 181 57.810 10.080 3.613 1.00 0.00 C ATOM 602 C PHE A 181 58.296 11.106 2.573 1.00 0.00 C ATOM 603 O PHE A 181 57.479 11.675 1.851 1.00 0.00 O ATOM 604 CB PHE A 181 57.399 10.750 4.940 1.00 0.00 C ATOM 605 CG PHE A 181 56.389 9.969 5.772 1.00 0.00 C ATOM 606 CD1 PHE A 181 55.069 9.830 5.301 1.00 0.00 C ATOM 607 CD2 PHE A 181 56.732 9.424 7.026 1.00 0.00 C ATOM 608 CE1 PHE A 181 54.106 9.147 6.064 1.00 0.00 C ATOM 609 CE2 PHE A 181 55.763 8.749 7.795 1.00 0.00 C ATOM 610 CZ PHE A 181 54.452 8.602 7.309 1.00 0.00 C ATOM 0 H PHE A 181 59.183 9.095 4.832 1.00 0.00 H new ATOM 0 HA PHE A 181 56.942 9.622 3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 181 58.294 10.911 5.541 1.00 0.00 H new ATOM 0 HB3 PHE A 181 56.982 11.733 4.719 1.00 0.00 H new ATOM 0 HD1 PHE A 181 54.794 10.252 4.345 1.00 0.00 H new ATOM 0 HD2 PHE A 181 57.741 9.524 7.399 1.00 0.00 H new ATOM 0 HE1 PHE A 181 53.098 9.042 5.691 1.00 0.00 H new ATOM 0 HE2 PHE A 181 56.028 8.344 8.760 1.00 0.00 H new ATOM 0 HZ PHE A 181 53.714 8.071 7.892 1.00 0.00 H new ATOM 620 N SER A 182 59.604 11.348 2.454 1.00 0.00 N ATOM 621 CA SER A 182 60.137 12.415 1.581 1.00 0.00 C ATOM 622 C SER A 182 60.060 12.108 0.076 1.00 0.00 C ATOM 623 O SER A 182 59.976 13.037 -0.730 1.00 0.00 O ATOM 624 CB SER A 182 61.568 12.794 1.996 1.00 0.00 C ATOM 625 OG SER A 182 61.927 14.086 1.523 1.00 0.00 O ATOM 0 H SER A 182 60.322 10.821 2.951 1.00 0.00 H new ATOM 0 HA SER A 182 59.478 13.270 1.731 1.00 0.00 H new ATOM 0 HB2 SER A 182 61.651 12.768 3.083 1.00 0.00 H new ATOM 0 HB3 SER A 182 62.268 12.056 1.605 1.00 0.00 H new ATOM 0 HG SER A 182 62.842 14.295 1.806 1.00 0.00 H new ATOM 631 N GLN A 183 60.003 10.829 -0.322 1.00 0.00 N ATOM 632 CA GLN A 183 59.947 10.422 -1.738 1.00 0.00 C ATOM 633 C GLN A 183 58.632 10.821 -2.447 1.00 0.00 C ATOM 634 O GLN A 183 58.549 10.763 -3.675 1.00 0.00 O ATOM 635 CB GLN A 183 60.221 8.916 -1.860 1.00 0.00 C ATOM 636 CG GLN A 183 61.729 8.633 -1.759 1.00 0.00 C ATOM 637 CD GLN A 183 62.015 7.136 -1.792 1.00 0.00 C ATOM 638 OE1 GLN A 183 62.193 6.517 -2.836 1.00 0.00 O ATOM 639 NE2 GLN A 183 62.056 6.505 -0.641 1.00 0.00 N ATOM 0 H GLN A 183 59.994 10.044 0.329 1.00 0.00 H new ATOM 0 HA GLN A 183 60.730 10.973 -2.259 1.00 0.00 H new ATOM 0 HB2 GLN A 183 59.691 8.379 -1.073 1.00 0.00 H new ATOM 0 HB3 GLN A 183 59.839 8.547 -2.812 1.00 0.00 H new ATOM 0 HG2 GLN A 183 62.249 9.123 -2.582 1.00 0.00 H new ATOM 0 HG3 GLN A 183 62.120 9.060 -0.836 1.00 0.00 H new ATOM 0 HE21 GLN A 183 61.908 7.019 0.228 1.00 0.00 H new ATOM 0 HE22 GLN A 183 62.236 5.501 -0.616 1.00 0.00 H new ATOM 648 N ILE A 184 57.619 11.270 -1.695 1.00 0.00 N ATOM 649 CA ILE A 184 56.336 11.790 -2.209 1.00 0.00 C ATOM 650 C ILE A 184 56.489 13.151 -2.914 1.00 0.00 C ATOM 651 O ILE A 184 55.754 13.432 -3.865 1.00 0.00 O ATOM 652 CB ILE A 184 55.337 11.870 -1.026 1.00 0.00 C ATOM 653 CG1 ILE A 184 55.044 10.472 -0.437 1.00 0.00 C ATOM 654 CG2 ILE A 184 54.017 12.586 -1.368 1.00 0.00 C ATOM 655 CD1 ILE A 184 54.237 9.534 -1.347 1.00 0.00 C ATOM 0 H ILE A 184 57.667 11.284 -0.676 1.00 0.00 H new ATOM 0 HA ILE A 184 55.958 11.109 -2.972 1.00 0.00 H new ATOM 0 HB ILE A 184 55.837 12.481 -0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 184 55.992 9.991 -0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 184 54.502 10.597 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 184 53.373 12.600 -0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 184 54.228 13.609 -1.680 1.00 0.00 H new ATOM 0 HG23 ILE A 184 53.515 12.056 -2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 184 54.085 8.580 -0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 184 53.270 9.985 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 184 54.783 9.370 -2.276 1.00 0.00 H new ATOM 667 N GLY A 185 57.449 13.978 -2.475 1.00 0.00 N ATOM 668 CA GLY A 185 57.616 15.368 -2.929 1.00 0.00 C ATOM 669 C GLY A 185 58.212 16.306 -1.875 1.00 0.00 C ATOM 670 O GLY A 185 57.744 17.433 -1.731 1.00 0.00 O ATOM 0 H GLY A 185 58.143 13.696 -1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 185 58.257 15.376 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 185 56.646 15.757 -3.238 1.00 0.00 H new ATOM 674 N LYS A 186 59.229 15.820 -1.148 1.00 0.00 N ATOM 675 CA LYS A 186 60.013 16.491 -0.096 1.00 0.00 C ATOM 676 C LYS A 186 59.297 16.539 1.275 1.00 0.00 C ATOM 677 O LYS A 186 58.202 17.084 1.415 1.00 0.00 O ATOM 678 CB LYS A 186 60.517 17.881 -0.556 1.00 0.00 C ATOM 679 CG LYS A 186 61.592 18.451 0.387 1.00 0.00 C ATOM 680 CD LYS A 186 62.174 19.765 -0.155 1.00 0.00 C ATOM 681 CE LYS A 186 63.232 20.313 0.816 1.00 0.00 C ATOM 682 NZ LYS A 186 63.850 21.569 0.310 1.00 0.00 N ATOM 0 H LYS A 186 59.554 14.864 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 186 60.893 15.869 0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 186 60.925 17.802 -1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 186 59.676 18.572 -0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 186 61.160 18.622 1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 186 62.392 17.721 0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 186 62.621 19.597 -1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 186 61.378 20.497 -0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 186 62.772 20.500 1.787 1.00 0.00 H new ATOM 0 HE3 LYS A 186 64.008 19.563 0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 64.558 21.907 0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 64.311 21.385 -0.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 63.114 22.293 0.188 1.00 0.00 H new ATOM 696 N VAL A 187 59.970 16.019 2.306 1.00 0.00 N ATOM 697 CA VAL A 187 59.664 16.221 3.739 1.00 0.00 C ATOM 698 C VAL A 187 60.697 17.204 4.314 1.00 0.00 C ATOM 699 O VAL A 187 61.828 17.225 3.831 1.00 0.00 O ATOM 700 CB VAL A 187 59.646 14.859 4.485 1.00 0.00 C ATOM 701 CG1 VAL A 187 60.863 14.542 5.350 1.00 0.00 C ATOM 702 CG2 VAL A 187 58.417 14.721 5.368 1.00 0.00 C ATOM 0 H VAL A 187 60.781 15.417 2.166 1.00 0.00 H new ATOM 0 HA VAL A 187 58.670 16.650 3.870 1.00 0.00 H new ATOM 0 HB VAL A 187 59.646 14.145 3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 187 60.733 13.566 5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 187 61.758 14.529 4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 187 60.969 15.304 6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 187 58.439 13.756 5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 187 58.411 15.519 6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 187 57.519 14.789 4.754 1.00 0.00 H new ATOM 712 N VAL A 188 60.334 18.010 5.319 1.00 0.00 N ATOM 713 CA VAL A 188 61.260 19.010 5.918 1.00 0.00 C ATOM 714 C VAL A 188 61.715 18.682 7.343 1.00 0.00 C ATOM 715 O VAL A 188 62.725 19.219 7.800 1.00 0.00 O ATOM 716 CB VAL A 188 60.702 20.448 5.874 1.00 0.00 C ATOM 717 CG1 VAL A 188 60.822 21.005 4.449 1.00 0.00 C ATOM 718 CG2 VAL A 188 59.253 20.574 6.361 1.00 0.00 C ATOM 0 H VAL A 188 59.406 17.998 5.743 1.00 0.00 H new ATOM 0 HA VAL A 188 62.140 18.951 5.278 1.00 0.00 H new ATOM 0 HB VAL A 188 61.306 21.030 6.570 1.00 0.00 H new ATOM 0 HG11 VAL A 188 60.427 22.021 4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 188 61.870 21.015 4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 188 60.254 20.376 3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 188 58.937 21.615 6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 188 58.604 19.960 5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 188 59.186 20.236 7.395 1.00 0.00 H new ATOM 728 N ARG A 189 60.994 17.797 8.037 1.00 0.00 N ATOM 729 CA ARG A 189 61.254 17.451 9.438 1.00 0.00 C ATOM 730 C ARG A 189 60.678 16.075 9.786 1.00 0.00 C ATOM 731 O ARG A 189 59.609 15.723 9.296 1.00 0.00 O ATOM 732 CB ARG A 189 60.610 18.533 10.326 1.00 0.00 C ATOM 733 CG ARG A 189 61.456 18.909 11.543 1.00 0.00 C ATOM 734 CD ARG A 189 60.595 19.794 12.449 1.00 0.00 C ATOM 735 NE ARG A 189 61.305 20.279 13.639 1.00 0.00 N ATOM 736 CZ ARG A 189 60.741 21.010 14.596 1.00 0.00 C ATOM 737 NH1 ARG A 189 59.467 21.347 14.548 1.00 0.00 N ATOM 738 NH2 ARG A 189 61.459 21.415 15.623 1.00 0.00 N ATOM 0 H ARG A 189 60.202 17.294 7.636 1.00 0.00 H new ATOM 0 HA ARG A 189 62.330 17.407 9.606 1.00 0.00 H new ATOM 0 HB2 ARG A 189 60.434 19.426 9.726 1.00 0.00 H new ATOM 0 HB3 ARG A 189 59.636 18.180 10.666 1.00 0.00 H new ATOM 0 HG2 ARG A 189 61.779 18.015 12.076 1.00 0.00 H new ATOM 0 HG3 ARG A 189 62.357 19.439 11.234 1.00 0.00 H new ATOM 0 HD2 ARG A 189 60.238 20.649 11.875 1.00 0.00 H new ATOM 0 HD3 ARG A 189 59.716 19.232 12.764 1.00 0.00 H new ATOM 0 HE ARG A 189 62.292 20.041 13.738 1.00 0.00 H new ATOM 0 HH11 ARG A 189 58.889 21.046 13.763 1.00 0.00 H new ATOM 0 HH12 ARG A 189 59.059 21.909 15.296 1.00 0.00 H new ATOM 0 HH21 ARG A 189 62.447 21.168 15.684 1.00 0.00 H new ATOM 0 HH22 ARG A 189 61.027 21.976 16.358 1.00 0.00 H new ATOM 752 N ALA A 190 61.331 15.346 10.685 1.00 0.00 N ATOM 753 CA ALA A 190 60.845 14.105 11.298 1.00 0.00 C ATOM 754 C ALA A 190 61.500 13.889 12.672 1.00 0.00 C ATOM 755 O ALA A 190 62.677 14.213 12.856 1.00 0.00 O ATOM 756 CB ALA A 190 61.139 12.926 10.361 1.00 0.00 C ATOM 0 H ALA A 190 62.255 15.612 11.024 1.00 0.00 H new ATOM 0 HA ALA A 190 59.768 14.176 11.451 1.00 0.00 H new ATOM 0 HB1 ALA A 190 60.779 12.002 10.814 1.00 0.00 H new ATOM 0 HB2 ALA A 190 60.634 13.084 9.408 1.00 0.00 H new ATOM 0 HB3 ALA A 190 62.214 12.853 10.194 1.00 0.00 H new ATOM 762 N ASP A 191 60.753 13.332 13.629 1.00 0.00 N ATOM 763 CA ASP A 191 61.264 12.997 14.961 1.00 0.00 C ATOM 764 C ASP A 191 60.472 11.867 15.651 1.00 0.00 C ATOM 765 O ASP A 191 59.280 11.663 15.413 1.00 0.00 O ATOM 766 CB ASP A 191 61.351 14.252 15.856 1.00 0.00 C ATOM 767 CG ASP A 191 62.490 14.189 16.896 1.00 0.00 C ATOM 768 OD1 ASP A 191 63.009 13.083 17.192 1.00 0.00 O ATOM 769 OD2 ASP A 191 62.873 15.268 17.410 1.00 0.00 O ATOM 0 H ASP A 191 59.768 13.099 13.500 1.00 0.00 H new ATOM 0 HA ASP A 191 62.272 12.610 14.813 1.00 0.00 H new ATOM 0 HB2 ASP A 191 61.494 15.129 15.225 1.00 0.00 H new ATOM 0 HB3 ASP A 191 60.402 14.384 16.376 1.00 0.00 H new ATOM 774 N ILE A 192 61.173 11.160 16.538 1.00 0.00 N ATOM 775 CA ILE A 192 60.663 10.139 17.469 1.00 0.00 C ATOM 776 C ILE A 192 60.725 10.653 18.924 1.00 0.00 C ATOM 777 O ILE A 192 59.929 10.236 19.768 1.00 0.00 O ATOM 778 CB ILE A 192 61.461 8.821 17.269 1.00 0.00 C ATOM 779 CG1 ILE A 192 61.394 8.267 15.824 1.00 0.00 C ATOM 780 CG2 ILE A 192 61.025 7.720 18.249 1.00 0.00 C ATOM 781 CD1 ILE A 192 59.994 7.937 15.288 1.00 0.00 C ATOM 0 H ILE A 192 62.180 11.290 16.636 1.00 0.00 H new ATOM 0 HA ILE A 192 59.614 9.932 17.258 1.00 0.00 H new ATOM 0 HB ILE A 192 62.495 9.099 17.474 1.00 0.00 H new ATOM 0 HG12 ILE A 192 61.853 8.996 15.156 1.00 0.00 H new ATOM 0 HG13 ILE A 192 62.001 7.363 15.775 1.00 0.00 H new ATOM 0 HG21 ILE A 192 61.612 6.819 18.069 1.00 0.00 H new ATOM 0 HG22 ILE A 192 61.186 8.059 19.272 1.00 0.00 H new ATOM 0 HG23 ILE A 192 59.968 7.500 18.102 1.00 0.00 H new ATOM 0 HD11 ILE A 192 60.074 7.558 14.269 1.00 0.00 H new ATOM 0 HD12 ILE A 192 59.531 7.180 15.921 1.00 0.00 H new ATOM 0 HD13 ILE A 192 59.381 8.838 15.292 1.00 0.00 H new ATOM 933 N MET A 202 55.640 6.860 19.960 1.00 0.00 N ATOM 934 CA MET A 202 55.016 7.794 19.004 1.00 0.00 C ATOM 935 C MET A 202 56.075 8.571 18.200 1.00 0.00 C ATOM 936 O MET A 202 57.263 8.537 18.530 1.00 0.00 O ATOM 937 CB MET A 202 54.006 8.737 19.694 1.00 0.00 C ATOM 938 CG MET A 202 54.595 9.521 20.873 1.00 0.00 C ATOM 939 SD MET A 202 53.439 10.634 21.717 1.00 0.00 S ATOM 940 CE MET A 202 52.386 9.419 22.555 1.00 0.00 C ATOM 0 HA MET A 202 54.448 7.195 18.292 1.00 0.00 H new ATOM 0 HB2 MET A 202 53.620 9.442 18.958 1.00 0.00 H new ATOM 0 HB3 MET A 202 53.158 8.150 20.048 1.00 0.00 H new ATOM 0 HG2 MET A 202 54.987 8.811 21.601 1.00 0.00 H new ATOM 0 HG3 MET A 202 55.440 10.107 20.512 1.00 0.00 H new ATOM 0 HE1 MET A 202 51.695 9.935 23.222 1.00 0.00 H new ATOM 0 HE2 MET A 202 51.821 8.854 21.813 1.00 0.00 H new ATOM 0 HE3 MET A 202 53.008 8.737 23.135 1.00 0.00 H new ATOM 950 N GLY A 203 55.649 9.274 17.145 1.00 0.00 N ATOM 951 CA GLY A 203 56.489 10.149 16.315 1.00 0.00 C ATOM 952 C GLY A 203 55.691 11.231 15.579 1.00 0.00 C ATOM 953 O GLY A 203 54.458 11.215 15.607 1.00 0.00 O ATOM 0 H GLY A 203 54.678 9.250 16.834 1.00 0.00 H new ATOM 0 HA2 GLY A 203 57.240 10.626 16.945 1.00 0.00 H new ATOM 0 HA3 GLY A 203 57.025 9.542 15.585 1.00 0.00 H new ATOM 957 N THR A 204 56.390 12.134 14.877 1.00 0.00 N ATOM 958 CA THR A 204 55.804 13.249 14.102 1.00 0.00 C ATOM 959 C THR A 204 56.678 13.553 12.887 1.00 0.00 C ATOM 960 O THR A 204 57.897 13.418 12.958 1.00 0.00 O ATOM 961 CB THR A 204 55.651 14.509 14.974 1.00 0.00 C ATOM 962 OG1 THR A 204 54.960 14.189 16.160 1.00 0.00 O ATOM 963 CG2 THR A 204 54.833 15.605 14.279 1.00 0.00 C ATOM 0 H THR A 204 57.409 12.113 14.828 1.00 0.00 H new ATOM 0 HA THR A 204 54.812 12.948 13.766 1.00 0.00 H new ATOM 0 HB THR A 204 56.661 14.870 15.168 1.00 0.00 H new ATOM 0 HG1 THR A 204 54.867 14.994 16.712 1.00 0.00 H new ATOM 0 HG21 THR A 204 54.754 16.472 14.935 1.00 0.00 H new ATOM 0 HG22 THR A 204 55.327 15.895 13.352 1.00 0.00 H new ATOM 0 HG23 THR A 204 53.835 15.228 14.055 1.00 0.00 H new ATOM 971 N VAL A 205 56.061 13.979 11.783 1.00 0.00 N ATOM 972 CA VAL A 205 56.751 14.340 10.525 1.00 0.00 C ATOM 973 C VAL A 205 56.109 15.602 9.931 1.00 0.00 C ATOM 974 O VAL A 205 54.892 15.759 10.000 1.00 0.00 O ATOM 975 CB VAL A 205 56.715 13.164 9.517 1.00 0.00 C ATOM 976 CG1 VAL A 205 57.469 13.440 8.218 1.00 0.00 C ATOM 977 CG2 VAL A 205 57.246 11.841 10.100 1.00 0.00 C ATOM 0 H VAL A 205 55.048 14.088 11.729 1.00 0.00 H new ATOM 0 HA VAL A 205 57.799 14.549 10.741 1.00 0.00 H new ATOM 0 HB VAL A 205 55.652 13.064 9.297 1.00 0.00 H new ATOM 0 HG11 VAL A 205 57.398 12.571 7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 205 57.031 14.305 7.720 1.00 0.00 H new ATOM 0 HG13 VAL A 205 58.517 13.641 8.441 1.00 0.00 H new ATOM 0 HG21 VAL A 205 57.192 11.061 9.341 1.00 0.00 H new ATOM 0 HG22 VAL A 205 58.282 11.971 10.413 1.00 0.00 H new ATOM 0 HG23 VAL A 205 56.641 11.553 10.959 1.00 0.00 H new ATOM 987 N GLU A 206 56.913 16.505 9.359 1.00 0.00 N ATOM 988 CA GLU A 206 56.460 17.774 8.776 1.00 0.00 C ATOM 989 C GLU A 206 56.891 17.905 7.312 1.00 0.00 C ATOM 990 O GLU A 206 58.049 17.691 6.941 1.00 0.00 O ATOM 991 CB GLU A 206 56.923 19.000 9.584 1.00 0.00 C ATOM 992 CG GLU A 206 56.642 18.879 11.088 1.00 0.00 C ATOM 993 CD GLU A 206 56.633 20.245 11.791 1.00 0.00 C ATOM 994 OE1 GLU A 206 55.634 20.989 11.644 1.00 0.00 O ATOM 995 OE2 GLU A 206 57.605 20.571 12.514 1.00 0.00 O ATOM 0 H GLU A 206 57.922 16.371 9.287 1.00 0.00 H new ATOM 0 HA GLU A 206 55.371 17.753 8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 206 57.993 19.143 9.432 1.00 0.00 H new ATOM 0 HB3 GLU A 206 56.424 19.889 9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 206 55.680 18.390 11.237 1.00 0.00 H new ATOM 0 HG3 GLU A 206 57.398 18.242 11.547 1.00 0.00 H new ATOM 1002 N PHE A 207 55.920 18.277 6.482 1.00 0.00 N ATOM 1003 CA PHE A 207 56.027 18.414 5.035 1.00 0.00 C ATOM 1004 C PHE A 207 56.157 19.897 4.644 1.00 0.00 C ATOM 1005 O PHE A 207 56.017 20.794 5.478 1.00 0.00 O ATOM 1006 CB PHE A 207 54.780 17.755 4.414 1.00 0.00 C ATOM 1007 CG PHE A 207 54.862 16.244 4.272 1.00 0.00 C ATOM 1008 CD1 PHE A 207 54.855 15.394 5.401 1.00 0.00 C ATOM 1009 CD2 PHE A 207 54.960 15.685 2.982 1.00 0.00 C ATOM 1010 CE1 PHE A 207 54.930 14.002 5.226 1.00 0.00 C ATOM 1011 CE2 PHE A 207 55.008 14.291 2.811 1.00 0.00 C ATOM 1012 CZ PHE A 207 54.967 13.453 3.934 1.00 0.00 C ATOM 0 H PHE A 207 54.985 18.503 6.822 1.00 0.00 H new ATOM 0 HA PHE A 207 56.922 17.919 4.658 1.00 0.00 H new ATOM 0 HB2 PHE A 207 53.913 18.002 5.026 1.00 0.00 H new ATOM 0 HB3 PHE A 207 54.609 18.190 3.429 1.00 0.00 H new ATOM 0 HD1 PHE A 207 54.792 15.813 6.394 1.00 0.00 H new ATOM 0 HD2 PHE A 207 54.998 16.333 2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 207 54.959 13.352 6.088 1.00 0.00 H new ATOM 0 HE2 PHE A 207 55.076 13.868 1.820 1.00 0.00 H new ATOM 0 HZ PHE A 207 54.964 12.381 3.805 1.00 0.00 H new ATOM 1022 N THR A 208 56.392 20.158 3.351 1.00 0.00 N ATOM 1023 CA THR A 208 56.475 21.512 2.770 1.00 0.00 C ATOM 1024 C THR A 208 55.136 22.272 2.737 1.00 0.00 C ATOM 1025 O THR A 208 55.101 23.416 2.284 1.00 0.00 O ATOM 1026 CB THR A 208 57.130 21.469 1.388 1.00 0.00 C ATOM 1027 OG1 THR A 208 56.340 20.670 0.537 1.00 0.00 O ATOM 1028 CG2 THR A 208 58.555 20.914 1.406 1.00 0.00 C ATOM 0 H THR A 208 56.533 19.420 2.662 1.00 0.00 H new ATOM 0 HA THR A 208 57.108 22.087 3.446 1.00 0.00 H new ATOM 0 HB THR A 208 57.195 22.497 1.033 1.00 0.00 H new ATOM 0 HG1 THR A 208 56.749 20.636 -0.353 1.00 0.00 H new ATOM 0 HG21 THR A 208 58.958 20.912 0.393 1.00 0.00 H new ATOM 0 HG22 THR A 208 59.181 21.538 2.044 1.00 0.00 H new ATOM 0 HG23 THR A 208 58.544 19.895 1.794 1.00 0.00 H new ATOM 1036 N ASN A 209 54.052 21.657 3.237 1.00 0.00 N ATOM 1037 CA ASN A 209 52.774 22.262 3.660 1.00 0.00 C ATOM 1038 C ASN A 209 51.702 22.284 2.548 1.00 0.00 C ATOM 1039 O ASN A 209 51.120 23.330 2.250 1.00 0.00 O ATOM 1040 CB ASN A 209 52.941 23.627 4.368 1.00 0.00 C ATOM 1041 CG ASN A 209 53.963 23.624 5.505 1.00 0.00 C ATOM 1042 OD1 ASN A 209 53.757 23.029 6.556 1.00 0.00 O ATOM 1043 ND2 ASN A 209 55.082 24.311 5.341 1.00 0.00 N ATOM 0 H ASN A 209 54.044 20.645 3.367 1.00 0.00 H new ATOM 0 HA ASN A 209 52.385 21.586 4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 209 53.238 24.372 3.630 1.00 0.00 H new ATOM 0 HB3 ASN A 209 51.975 23.938 4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 209 55.774 24.345 6.090 1.00 0.00 H new ATOM 0 HD22 ASN A 209 55.253 24.806 4.466 1.00 0.00 H new ATOM 1050 N SER A 210 51.427 21.128 1.926 1.00 0.00 N ATOM 1051 CA SER A 210 50.370 20.970 0.918 1.00 0.00 C ATOM 1052 C SER A 210 49.963 19.501 0.703 1.00 0.00 C ATOM 1053 O SER A 210 50.277 18.645 1.526 1.00 0.00 O ATOM 1054 CB SER A 210 50.795 21.667 -0.395 1.00 0.00 C ATOM 1055 OG SER A 210 49.685 21.919 -1.246 1.00 0.00 O ATOM 0 H SER A 210 51.939 20.266 2.112 1.00 0.00 H new ATOM 0 HA SER A 210 49.470 21.458 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 210 51.294 22.608 -0.161 1.00 0.00 H new ATOM 0 HB3 SER A 210 51.519 21.043 -0.919 1.00 0.00 H new ATOM 0 HG SER A 210 49.823 21.469 -2.106 1.00 0.00 H new ATOM 1061 N ASP A 211 49.241 19.211 -0.382 1.00 0.00 N ATOM 1062 CA ASP A 211 48.542 17.946 -0.673 1.00 0.00 C ATOM 1063 C ASP A 211 49.435 16.692 -0.692 1.00 0.00 C ATOM 1064 O ASP A 211 48.926 15.576 -0.658 1.00 0.00 O ATOM 1065 CB ASP A 211 47.798 18.057 -2.012 1.00 0.00 C ATOM 1066 CG ASP A 211 46.685 19.115 -2.001 1.00 0.00 C ATOM 1067 OD1 ASP A 211 45.760 19.001 -1.164 1.00 0.00 O ATOM 1068 OD2 ASP A 211 46.729 20.035 -2.853 1.00 0.00 O ATOM 0 H ASP A 211 49.118 19.893 -1.131 1.00 0.00 H new ATOM 0 HA ASP A 211 47.852 17.806 0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 211 48.513 18.300 -2.798 1.00 0.00 H new ATOM 0 HB3 ASP A 211 47.366 17.088 -2.262 1.00 0.00 H new ATOM 1073 N ASP A 212 50.758 16.861 -0.661 1.00 0.00 N ATOM 1074 CA ASP A 212 51.733 15.827 -0.304 1.00 0.00 C ATOM 1075 C ASP A 212 51.392 15.162 1.046 1.00 0.00 C ATOM 1076 O ASP A 212 51.571 13.955 1.205 1.00 0.00 O ATOM 1077 CB ASP A 212 53.125 16.475 -0.221 1.00 0.00 C ATOM 1078 CG ASP A 212 53.500 17.235 -1.503 1.00 0.00 C ATOM 1079 OD1 ASP A 212 54.019 16.600 -2.452 1.00 0.00 O ATOM 1080 OD2 ASP A 212 53.271 18.468 -1.551 1.00 0.00 O ATOM 0 H ASP A 212 51.196 17.753 -0.892 1.00 0.00 H new ATOM 0 HA ASP A 212 51.712 15.050 -1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 212 53.152 17.162 0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 212 53.870 15.703 -0.029 1.00 0.00 H new ATOM 1085 N VAL A 213 50.832 15.942 1.980 1.00 0.00 N ATOM 1086 CA VAL A 213 50.355 15.496 3.301 1.00 0.00 C ATOM 1087 C VAL A 213 49.227 14.455 3.170 1.00 0.00 C ATOM 1088 O VAL A 213 49.205 13.478 3.917 1.00 0.00 O ATOM 1089 CB VAL A 213 49.854 16.720 4.108 1.00 0.00 C ATOM 1090 CG1 VAL A 213 49.168 16.358 5.437 1.00 0.00 C ATOM 1091 CG2 VAL A 213 51.010 17.690 4.431 1.00 0.00 C ATOM 0 H VAL A 213 50.692 16.942 1.833 1.00 0.00 H new ATOM 0 HA VAL A 213 51.186 15.023 3.824 1.00 0.00 H new ATOM 0 HB VAL A 213 49.115 17.188 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 213 48.847 17.270 5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 213 48.301 15.728 5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 213 49.870 15.820 6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 213 50.626 18.538 4.998 1.00 0.00 H new ATOM 0 HG22 VAL A 213 51.766 17.172 5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 213 51.456 18.046 3.503 1.00 0.00 H new ATOM 1101 N ASP A 214 48.312 14.638 2.209 1.00 0.00 N ATOM 1102 CA ASP A 214 47.284 13.656 1.848 1.00 0.00 C ATOM 1103 C ASP A 214 47.868 12.482 1.052 1.00 0.00 C ATOM 1104 O ASP A 214 47.711 11.327 1.455 1.00 0.00 O ATOM 1105 CB ASP A 214 46.169 14.345 1.038 1.00 0.00 C ATOM 1106 CG ASP A 214 45.071 14.921 1.937 1.00 0.00 C ATOM 1107 OD1 ASP A 214 44.155 14.151 2.312 1.00 0.00 O ATOM 1108 OD2 ASP A 214 45.122 16.127 2.263 1.00 0.00 O ATOM 0 H ASP A 214 48.266 15.490 1.650 1.00 0.00 H new ATOM 0 HA ASP A 214 46.870 13.250 2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 214 46.601 15.145 0.437 1.00 0.00 H new ATOM 0 HB3 ASP A 214 45.729 13.627 0.345 1.00 0.00 H new ATOM 1113 N ARG A 215 48.554 12.780 -0.060 1.00 0.00 N ATOM 1114 CA ARG A 215 49.045 11.801 -1.040 1.00 0.00 C ATOM 1115 C ARG A 215 50.001 10.763 -0.447 1.00 0.00 C ATOM 1116 O ARG A 215 50.017 9.625 -0.917 1.00 0.00 O ATOM 1117 CB ARG A 215 49.729 12.536 -2.209 1.00 0.00 C ATOM 1118 CG ARG A 215 48.750 13.156 -3.228 1.00 0.00 C ATOM 1119 CD ARG A 215 47.840 12.137 -3.939 1.00 0.00 C ATOM 1120 NE ARG A 215 48.632 11.031 -4.521 1.00 0.00 N ATOM 1121 CZ ARG A 215 48.507 9.736 -4.248 1.00 0.00 C ATOM 1122 NH1 ARG A 215 47.448 9.240 -3.653 1.00 0.00 N ATOM 1123 NH2 ARG A 215 49.461 8.895 -4.578 1.00 0.00 N ATOM 0 H ARG A 215 48.790 13.740 -0.310 1.00 0.00 H new ATOM 0 HA ARG A 215 48.173 11.249 -1.391 1.00 0.00 H new ATOM 0 HB2 ARG A 215 50.363 13.325 -1.805 1.00 0.00 H new ATOM 0 HB3 ARG A 215 50.383 11.837 -2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 215 48.125 13.886 -2.714 1.00 0.00 H new ATOM 0 HG3 ARG A 215 49.323 13.699 -3.980 1.00 0.00 H new ATOM 0 HD2 ARG A 215 47.115 11.736 -3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 215 47.274 12.637 -4.726 1.00 0.00 H new ATOM 0 HE ARG A 215 49.347 11.289 -5.201 1.00 0.00 H new ATOM 0 HH11 ARG A 215 46.681 9.855 -3.382 1.00 0.00 H new ATOM 0 HH12 ARG A 215 47.392 8.240 -3.462 1.00 0.00 H new ATOM 0 HH21 ARG A 215 50.301 9.235 -5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 215 49.361 7.902 -4.367 1.00 0.00 H new ATOM 1137 N ALA A 216 50.758 11.117 0.596 1.00 0.00 N ATOM 1138 CA ALA A 216 51.664 10.207 1.292 1.00 0.00 C ATOM 1139 C ALA A 216 50.937 9.002 1.905 1.00 0.00 C ATOM 1140 O ALA A 216 51.189 7.861 1.528 1.00 0.00 O ATOM 1141 CB ALA A 216 52.445 11.026 2.332 1.00 0.00 C ATOM 0 H ALA A 216 50.756 12.060 0.984 1.00 0.00 H new ATOM 0 HA ALA A 216 52.361 9.766 0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 216 53.132 10.372 2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 216 53.010 11.810 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 216 51.748 11.478 3.037 1.00 0.00 H new ATOM 1147 N ILE A 217 49.998 9.232 2.822 1.00 0.00 N ATOM 1148 CA ILE A 217 49.423 8.154 3.652 1.00 0.00 C ATOM 1149 C ILE A 217 48.556 7.178 2.843 1.00 0.00 C ATOM 1150 O ILE A 217 48.493 6.000 3.201 1.00 0.00 O ATOM 1151 CB ILE A 217 48.740 8.760 4.900 1.00 0.00 C ATOM 1152 CG1 ILE A 217 49.821 9.296 5.872 1.00 0.00 C ATOM 1153 CG2 ILE A 217 47.881 7.730 5.654 1.00 0.00 C ATOM 1154 CD1 ILE A 217 50.165 10.770 5.671 1.00 0.00 C ATOM 0 H ILE A 217 49.613 10.156 3.015 1.00 0.00 H new ATOM 0 HA ILE A 217 50.229 7.519 4.020 1.00 0.00 H new ATOM 0 HB ILE A 217 48.089 9.562 4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 217 49.477 9.151 6.896 1.00 0.00 H new ATOM 0 HG13 ILE A 217 50.728 8.703 5.753 1.00 0.00 H new ATOM 0 HG21 ILE A 217 47.423 8.204 6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 217 47.101 7.353 4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 217 48.510 6.902 5.982 1.00 0.00 H new ATOM 0 HD11 ILE A 217 50.929 11.067 6.390 1.00 0.00 H new ATOM 0 HD12 ILE A 217 50.541 10.921 4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 217 49.271 11.376 5.820 1.00 0.00 H new ATOM 1166 N ARG A 218 48.037 7.599 1.681 1.00 0.00 N ATOM 1167 CA ARG A 218 47.397 6.700 0.706 1.00 0.00 C ATOM 1168 C ARG A 218 48.305 5.520 0.295 1.00 0.00 C ATOM 1169 O ARG A 218 47.799 4.455 -0.066 1.00 0.00 O ATOM 1170 CB ARG A 218 46.993 7.447 -0.580 1.00 0.00 C ATOM 1171 CG ARG A 218 46.325 8.821 -0.442 1.00 0.00 C ATOM 1172 CD ARG A 218 45.116 8.901 0.495 1.00 0.00 C ATOM 1173 NE ARG A 218 44.337 10.103 0.159 1.00 0.00 N ATOM 1174 CZ ARG A 218 44.075 11.174 0.888 1.00 0.00 C ATOM 1175 NH1 ARG A 218 44.407 11.339 2.149 1.00 0.00 N ATOM 1176 NH2 ARG A 218 43.448 12.160 0.300 1.00 0.00 N ATOM 0 H ARG A 218 48.049 8.576 1.388 1.00 0.00 H new ATOM 0 HA ARG A 218 46.514 6.315 1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 218 47.889 7.572 -1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 218 46.316 6.803 -1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 218 47.075 9.532 -0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 218 46.011 9.149 -1.433 1.00 0.00 H new ATOM 0 HD2 ARG A 218 44.498 8.009 0.391 1.00 0.00 H new ATOM 0 HD3 ARG A 218 45.445 8.942 1.533 1.00 0.00 H new ATOM 0 HE ARG A 218 43.938 10.111 -0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 218 44.910 10.603 2.644 1.00 0.00 H new ATOM 0 HH12 ARG A 218 44.162 12.203 2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 218 43.182 12.082 -0.682 1.00 0.00 H new ATOM 0 HH22 ARG A 218 43.225 13.007 0.823 1.00 0.00 H new ATOM 1190 N GLN A 219 49.632 5.698 0.346 1.00 0.00 N ATOM 1191 CA GLN A 219 50.627 4.676 0.006 1.00 0.00 C ATOM 1192 C GLN A 219 51.141 3.906 1.242 1.00 0.00 C ATOM 1193 O GLN A 219 51.717 2.829 1.079 1.00 0.00 O ATOM 1194 CB GLN A 219 51.826 5.331 -0.712 1.00 0.00 C ATOM 1195 CG GLN A 219 51.496 6.322 -1.847 1.00 0.00 C ATOM 1196 CD GLN A 219 50.533 5.786 -2.910 1.00 0.00 C ATOM 1197 OE1 GLN A 219 49.472 6.348 -3.159 1.00 0.00 O ATOM 1198 NE2 GLN A 219 50.856 4.703 -3.589 1.00 0.00 N ATOM 0 H GLN A 219 50.053 6.582 0.633 1.00 0.00 H new ATOM 0 HA GLN A 219 50.130 3.959 -0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 219 52.425 5.854 0.034 1.00 0.00 H new ATOM 0 HB3 GLN A 219 52.451 4.538 -1.123 1.00 0.00 H new ATOM 0 HG2 GLN A 219 51.066 7.223 -1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 219 52.425 6.616 -2.335 1.00 0.00 H new ATOM 0 HE21 GLN A 219 51.735 4.223 -3.395 1.00 0.00 H new ATOM 0 HE22 GLN A 219 50.227 4.346 -4.308 1.00 0.00 H new ATOM 1207 N TYR A 220 50.951 4.434 2.460 1.00 0.00 N ATOM 1208 CA TYR A 220 51.706 4.016 3.653 1.00 0.00 C ATOM 1209 C TYR A 220 50.875 3.500 4.843 1.00 0.00 C ATOM 1210 O TYR A 220 51.434 2.801 5.691 1.00 0.00 O ATOM 1211 CB TYR A 220 52.594 5.180 4.122 1.00 0.00 C ATOM 1212 CG TYR A 220 53.575 5.740 3.101 1.00 0.00 C ATOM 1213 CD1 TYR A 220 54.291 4.893 2.231 1.00 0.00 C ATOM 1214 CD2 TYR A 220 53.775 7.132 3.035 1.00 0.00 C ATOM 1215 CE1 TYR A 220 55.187 5.432 1.290 1.00 0.00 C ATOM 1216 CE2 TYR A 220 54.660 7.682 2.092 1.00 0.00 C ATOM 1217 CZ TYR A 220 55.370 6.831 1.214 1.00 0.00 C ATOM 1218 OH TYR A 220 56.220 7.350 0.287 1.00 0.00 O ATOM 0 H TYR A 220 50.266 5.167 2.647 1.00 0.00 H new ATOM 0 HA TYR A 220 52.286 3.153 3.326 1.00 0.00 H new ATOM 0 HB2 TYR A 220 51.946 5.991 4.453 1.00 0.00 H new ATOM 0 HB3 TYR A 220 53.160 4.848 4.993 1.00 0.00 H new ATOM 0 HD1 TYR A 220 54.151 3.824 2.287 1.00 0.00 H new ATOM 0 HD2 TYR A 220 53.244 7.782 3.714 1.00 0.00 H new ATOM 0 HE1 TYR A 220 55.734 4.778 0.627 1.00 0.00 H new ATOM 0 HE2 TYR A 220 54.797 8.752 2.038 1.00 0.00 H new ATOM 0 HH TYR A 220 57.058 7.612 0.722 1.00 0.00 H new ATOM 1228 N ASP A 221 49.569 3.783 4.936 1.00 0.00 N ATOM 1229 CA ASP A 221 48.733 3.226 6.012 1.00 0.00 C ATOM 1230 C ASP A 221 48.774 1.681 5.977 1.00 0.00 C ATOM 1231 O ASP A 221 48.411 1.062 4.971 1.00 0.00 O ATOM 1232 CB ASP A 221 47.294 3.745 5.869 1.00 0.00 C ATOM 1233 CG ASP A 221 46.381 3.200 6.980 1.00 0.00 C ATOM 1234 OD1 ASP A 221 46.668 3.466 8.171 1.00 0.00 O ATOM 1235 OD2 ASP A 221 45.380 2.516 6.658 1.00 0.00 O ATOM 0 H ASP A 221 49.070 4.389 4.285 1.00 0.00 H new ATOM 0 HA ASP A 221 49.123 3.549 6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 221 47.295 4.835 5.900 1.00 0.00 H new ATOM 0 HB3 ASP A 221 46.897 3.454 4.896 1.00 0.00 H new ATOM 1240 N GLY A 222 49.233 1.055 7.070 1.00 0.00 N ATOM 1241 CA GLY A 222 49.378 -0.406 7.180 1.00 0.00 C ATOM 1242 C GLY A 222 50.628 -1.012 6.525 1.00 0.00 C ATOM 1243 O GLY A 222 50.783 -2.232 6.582 1.00 0.00 O ATOM 0 H GLY A 222 49.518 1.554 7.913 1.00 0.00 H new ATOM 0 HA2 GLY A 222 49.381 -0.672 8.237 1.00 0.00 H new ATOM 0 HA3 GLY A 222 48.498 -0.872 6.737 1.00 0.00 H new ATOM 1247 N ALA A 223 51.513 -0.219 5.905 1.00 0.00 N ATOM 1248 CA ALA A 223 52.748 -0.719 5.288 1.00 0.00 C ATOM 1249 C ALA A 223 53.785 -1.128 6.356 1.00 0.00 C ATOM 1250 O ALA A 223 54.514 -0.283 6.875 1.00 0.00 O ATOM 1251 CB ALA A 223 53.306 0.341 4.320 1.00 0.00 C ATOM 0 H ALA A 223 51.391 0.790 5.817 1.00 0.00 H new ATOM 0 HA ALA A 223 52.521 -1.620 4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 223 54.223 -0.031 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 223 52.570 0.547 3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 223 53.521 1.258 4.869 1.00 0.00 H new ATOM 1257 N PHE A 224 53.862 -2.428 6.676 1.00 0.00 N ATOM 1258 CA PHE A 224 54.845 -2.987 7.614 1.00 0.00 C ATOM 1259 C PHE A 224 56.279 -2.518 7.314 1.00 0.00 C ATOM 1260 O PHE A 224 56.718 -2.500 6.159 1.00 0.00 O ATOM 1261 CB PHE A 224 54.759 -4.520 7.625 1.00 0.00 C ATOM 1262 CG PHE A 224 53.704 -5.045 8.575 1.00 0.00 C ATOM 1263 CD1 PHE A 224 54.021 -5.195 9.939 1.00 0.00 C ATOM 1264 CD2 PHE A 224 52.411 -5.361 8.119 1.00 0.00 C ATOM 1265 CE1 PHE A 224 53.053 -5.654 10.848 1.00 0.00 C ATOM 1266 CE2 PHE A 224 51.449 -5.848 9.022 1.00 0.00 C ATOM 1267 CZ PHE A 224 51.772 -6.002 10.383 1.00 0.00 C ATOM 0 H PHE A 224 53.234 -3.130 6.285 1.00 0.00 H new ATOM 0 HA PHE A 224 54.596 -2.611 8.606 1.00 0.00 H new ATOM 0 HB2 PHE A 224 54.541 -4.874 6.617 1.00 0.00 H new ATOM 0 HB3 PHE A 224 55.729 -4.931 7.904 1.00 0.00 H new ATOM 0 HD1 PHE A 224 55.014 -4.956 10.288 1.00 0.00 H new ATOM 0 HD2 PHE A 224 52.158 -5.230 7.077 1.00 0.00 H new ATOM 0 HE1 PHE A 224 53.291 -5.739 11.898 1.00 0.00 H new ATOM 0 HE2 PHE A 224 50.461 -6.104 8.670 1.00 0.00 H new ATOM 0 HZ PHE A 224 51.035 -6.388 11.072 1.00 0.00 H new ATOM 1277 N PHE A 225 56.997 -2.144 8.377 1.00 0.00 N ATOM 1278 CA PHE A 225 58.214 -1.338 8.308 1.00 0.00 C ATOM 1279 C PHE A 225 59.209 -1.804 9.379 1.00 0.00 C ATOM 1280 O PHE A 225 58.891 -1.772 10.568 1.00 0.00 O ATOM 1281 CB PHE A 225 57.818 0.144 8.469 1.00 0.00 C ATOM 1282 CG PHE A 225 58.587 1.066 7.553 1.00 0.00 C ATOM 1283 CD1 PHE A 225 58.440 0.919 6.160 1.00 0.00 C ATOM 1284 CD2 PHE A 225 59.441 2.059 8.071 1.00 0.00 C ATOM 1285 CE1 PHE A 225 59.179 1.726 5.284 1.00 0.00 C ATOM 1286 CE2 PHE A 225 60.170 2.876 7.191 1.00 0.00 C ATOM 1287 CZ PHE A 225 60.053 2.700 5.801 1.00 0.00 C ATOM 0 H PHE A 225 56.740 -2.400 9.330 1.00 0.00 H new ATOM 0 HA PHE A 225 58.713 -1.457 7.346 1.00 0.00 H new ATOM 0 HB2 PHE A 225 56.751 0.252 8.272 1.00 0.00 H new ATOM 0 HB3 PHE A 225 57.983 0.448 9.503 1.00 0.00 H new ATOM 0 HD1 PHE A 225 57.756 0.182 5.766 1.00 0.00 H new ATOM 0 HD2 PHE A 225 59.535 2.192 9.139 1.00 0.00 H new ATOM 0 HE1 PHE A 225 59.078 1.601 4.216 1.00 0.00 H new ATOM 0 HE2 PHE A 225 60.823 3.642 7.583 1.00 0.00 H new ATOM 0 HZ PHE A 225 60.635 3.313 5.129 1.00 0.00 H new ATOM 1297 N MET A 226 60.380 -2.308 8.962 1.00 0.00 N ATOM 1298 CA MET A 226 61.345 -3.013 9.835 1.00 0.00 C ATOM 1299 C MET A 226 60.706 -4.273 10.472 1.00 0.00 C ATOM 1300 O MET A 226 60.934 -4.575 11.643 1.00 0.00 O ATOM 1301 CB MET A 226 61.921 -2.019 10.867 1.00 0.00 C ATOM 1302 CG MET A 226 63.228 -2.467 11.528 1.00 0.00 C ATOM 1303 SD MET A 226 63.728 -1.374 12.884 1.00 0.00 S ATOM 1304 CE MET A 226 65.146 -2.310 13.503 1.00 0.00 C ATOM 0 H MET A 226 60.693 -2.239 7.994 1.00 0.00 H new ATOM 0 HA MET A 226 62.181 -3.384 9.243 1.00 0.00 H new ATOM 0 HB2 MET A 226 62.089 -1.061 10.374 1.00 0.00 H new ATOM 0 HB3 MET A 226 61.176 -1.851 11.644 1.00 0.00 H new ATOM 0 HG2 MET A 226 63.110 -3.482 11.908 1.00 0.00 H new ATOM 0 HG3 MET A 226 64.019 -2.497 10.779 1.00 0.00 H new ATOM 0 HE1 MET A 226 65.588 -1.784 14.349 1.00 0.00 H new ATOM 0 HE2 MET A 226 64.818 -3.299 13.822 1.00 0.00 H new ATOM 0 HE3 MET A 226 65.888 -2.412 12.711 1.00 0.00 H new ATOM 1314 N ASP A 227 59.811 -4.947 9.730 1.00 0.00 N ATOM 1315 CA ASP A 227 58.987 -6.101 10.161 1.00 0.00 C ATOM 1316 C ASP A 227 57.918 -5.752 11.224 1.00 0.00 C ATOM 1317 O ASP A 227 57.181 -6.630 11.683 1.00 0.00 O ATOM 1318 CB ASP A 227 59.863 -7.297 10.587 1.00 0.00 C ATOM 1319 CG ASP A 227 60.843 -7.738 9.487 1.00 0.00 C ATOM 1320 OD1 ASP A 227 60.378 -8.278 8.454 1.00 0.00 O ATOM 1321 OD2 ASP A 227 62.073 -7.572 9.666 1.00 0.00 O ATOM 0 H ASP A 227 59.629 -4.691 8.759 1.00 0.00 H new ATOM 0 HA ASP A 227 58.419 -6.401 9.280 1.00 0.00 H new ATOM 0 HB2 ASP A 227 60.425 -7.030 11.482 1.00 0.00 H new ATOM 0 HB3 ASP A 227 59.220 -8.136 10.853 1.00 0.00 H new ATOM 1326 N ARG A 228 57.845 -4.476 11.619 1.00 0.00 N ATOM 1327 CA ARG A 228 57.049 -3.932 12.724 1.00 0.00 C ATOM 1328 C ARG A 228 55.915 -3.027 12.208 1.00 0.00 C ATOM 1329 O ARG A 228 55.887 -2.615 11.045 1.00 0.00 O ATOM 1330 CB ARG A 228 58.005 -3.154 13.648 1.00 0.00 C ATOM 1331 CG ARG A 228 58.996 -4.041 14.424 1.00 0.00 C ATOM 1332 CD ARG A 228 60.255 -3.233 14.778 1.00 0.00 C ATOM 1333 NE ARG A 228 61.178 -3.969 15.655 1.00 0.00 N ATOM 1334 CZ ARG A 228 62.008 -4.949 15.322 1.00 0.00 C ATOM 1335 NH1 ARG A 228 62.090 -5.429 14.098 1.00 0.00 N ATOM 1336 NH2 ARG A 228 62.785 -5.465 16.249 1.00 0.00 N ATOM 0 H ARG A 228 58.377 -3.747 11.143 1.00 0.00 H new ATOM 0 HA ARG A 228 56.570 -4.743 13.273 1.00 0.00 H new ATOM 0 HB2 ARG A 228 58.568 -2.438 13.049 1.00 0.00 H new ATOM 0 HB3 ARG A 228 57.415 -2.579 14.361 1.00 0.00 H new ATOM 0 HG2 ARG A 228 58.527 -4.416 15.333 1.00 0.00 H new ATOM 0 HG3 ARG A 228 59.267 -4.909 13.824 1.00 0.00 H new ATOM 0 HD2 ARG A 228 60.775 -2.959 13.860 1.00 0.00 H new ATOM 0 HD3 ARG A 228 59.960 -2.305 15.267 1.00 0.00 H new ATOM 0 HE ARG A 228 61.180 -3.693 16.637 1.00 0.00 H new ATOM 0 HH11 ARG A 228 61.500 -5.046 13.359 1.00 0.00 H new ATOM 0 HH12 ARG A 228 62.744 -6.184 13.889 1.00 0.00 H new ATOM 0 HH21 ARG A 228 62.743 -5.111 17.205 1.00 0.00 H new ATOM 0 HH22 ARG A 228 63.430 -6.219 16.012 1.00 0.00 H new ATOM 1350 N LYS A 229 54.952 -2.721 13.080 1.00 0.00 N ATOM 1351 CA LYS A 229 53.806 -1.847 12.779 1.00 0.00 C ATOM 1352 C LYS A 229 54.215 -0.374 12.517 1.00 0.00 C ATOM 1353 O LYS A 229 55.323 0.047 12.830 1.00 0.00 O ATOM 1354 CB LYS A 229 52.805 -1.959 13.952 1.00 0.00 C ATOM 1355 CG LYS A 229 52.079 -3.310 14.090 1.00 0.00 C ATOM 1356 CD LYS A 229 50.966 -3.501 13.044 1.00 0.00 C ATOM 1357 CE LYS A 229 50.191 -4.817 13.246 1.00 0.00 C ATOM 1358 NZ LYS A 229 49.320 -4.809 14.456 1.00 0.00 N ATOM 0 H LYS A 229 54.943 -3.079 14.035 1.00 0.00 H new ATOM 0 HA LYS A 229 53.344 -2.179 11.849 1.00 0.00 H new ATOM 0 HB2 LYS A 229 53.340 -1.759 14.881 1.00 0.00 H new ATOM 0 HB3 LYS A 229 52.056 -1.175 13.841 1.00 0.00 H new ATOM 0 HG2 LYS A 229 52.804 -4.118 13.993 1.00 0.00 H new ATOM 0 HG3 LYS A 229 51.649 -3.385 15.089 1.00 0.00 H new ATOM 0 HD2 LYS A 229 50.272 -2.662 13.098 1.00 0.00 H new ATOM 0 HD3 LYS A 229 51.403 -3.489 12.046 1.00 0.00 H new ATOM 0 HE2 LYS A 229 49.577 -5.007 12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 229 50.901 -5.640 13.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 48.827 -5.721 14.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 49.904 -4.657 15.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 48.621 -4.043 14.375 1.00 0.00 H new ATOM 1372 N ILE A 230 53.265 0.421 12.016 1.00 0.00 N ATOM 1373 CA ILE A 230 53.210 1.883 11.787 1.00 0.00 C ATOM 1374 C ILE A 230 51.720 2.274 11.716 1.00 0.00 C ATOM 1375 O ILE A 230 50.898 1.483 11.251 1.00 0.00 O ATOM 1376 CB ILE A 230 53.993 2.390 10.539 1.00 0.00 C ATOM 1377 CG1 ILE A 230 53.444 1.872 9.192 1.00 0.00 C ATOM 1378 CG2 ILE A 230 55.506 2.125 10.649 1.00 0.00 C ATOM 1379 CD1 ILE A 230 54.049 2.603 7.986 1.00 0.00 C ATOM 0 H ILE A 230 52.386 -0.001 11.716 1.00 0.00 H new ATOM 0 HA ILE A 230 53.721 2.372 12.616 1.00 0.00 H new ATOM 0 HB ILE A 230 53.832 3.468 10.539 1.00 0.00 H new ATOM 0 HG12 ILE A 230 53.651 0.805 9.106 1.00 0.00 H new ATOM 0 HG13 ILE A 230 52.360 1.989 9.177 1.00 0.00 H new ATOM 0 HG21 ILE A 230 56.006 2.497 9.755 1.00 0.00 H new ATOM 0 HG22 ILE A 230 55.902 2.637 11.526 1.00 0.00 H new ATOM 0 HG23 ILE A 230 55.682 1.053 10.744 1.00 0.00 H new ATOM 0 HD11 ILE A 230 53.627 2.198 7.066 1.00 0.00 H new ATOM 0 HD12 ILE A 230 53.820 3.667 8.053 1.00 0.00 H new ATOM 0 HD13 ILE A 230 55.130 2.464 7.981 1.00 0.00 H new ATOM 1391 N PHE A 231 51.382 3.477 12.184 1.00 0.00 N ATOM 1392 CA PHE A 231 50.025 4.041 12.200 1.00 0.00 C ATOM 1393 C PHE A 231 50.164 5.561 12.067 1.00 0.00 C ATOM 1394 O PHE A 231 51.092 6.110 12.651 1.00 0.00 O ATOM 1395 CB PHE A 231 49.313 3.709 13.526 1.00 0.00 C ATOM 1396 CG PHE A 231 49.341 2.258 13.977 1.00 0.00 C ATOM 1397 CD1 PHE A 231 48.456 1.319 13.416 1.00 0.00 C ATOM 1398 CD2 PHE A 231 50.239 1.854 14.985 1.00 0.00 C ATOM 1399 CE1 PHE A 231 48.466 -0.015 13.864 1.00 0.00 C ATOM 1400 CE2 PHE A 231 50.248 0.521 15.434 1.00 0.00 C ATOM 1401 CZ PHE A 231 49.357 -0.413 14.875 1.00 0.00 C ATOM 0 H PHE A 231 52.073 4.114 12.580 1.00 0.00 H new ATOM 0 HA PHE A 231 49.435 3.621 11.385 1.00 0.00 H new ATOM 0 HB2 PHE A 231 49.760 4.317 14.312 1.00 0.00 H new ATOM 0 HB3 PHE A 231 48.271 4.017 13.438 1.00 0.00 H new ATOM 0 HD1 PHE A 231 47.768 1.622 12.641 1.00 0.00 H new ATOM 0 HD2 PHE A 231 50.923 2.571 15.415 1.00 0.00 H new ATOM 0 HE1 PHE A 231 47.787 -0.734 13.430 1.00 0.00 H new ATOM 0 HE2 PHE A 231 50.938 0.215 16.207 1.00 0.00 H new ATOM 0 HZ PHE A 231 49.358 -1.435 15.223 1.00 0.00 H new ATOM 1411 N VAL A 232 49.286 6.252 11.334 1.00 0.00 N ATOM 1412 CA VAL A 232 49.508 7.681 11.013 1.00 0.00 C ATOM 1413 C VAL A 232 48.210 8.480 10.833 1.00 0.00 C ATOM 1414 O VAL A 232 47.265 8.023 10.191 1.00 0.00 O ATOM 1415 CB VAL A 232 50.477 7.825 9.811 1.00 0.00 C ATOM 1416 CG1 VAL A 232 50.031 6.998 8.593 1.00 0.00 C ATOM 1417 CG2 VAL A 232 50.709 9.288 9.399 1.00 0.00 C ATOM 0 H VAL A 232 48.425 5.860 10.953 1.00 0.00 H new ATOM 0 HA VAL A 232 49.985 8.133 11.883 1.00 0.00 H new ATOM 0 HB VAL A 232 51.427 7.426 10.165 1.00 0.00 H new ATOM 0 HG11 VAL A 232 50.744 7.134 7.780 1.00 0.00 H new ATOM 0 HG12 VAL A 232 49.988 5.943 8.865 1.00 0.00 H new ATOM 0 HG13 VAL A 232 49.044 7.329 8.270 1.00 0.00 H new ATOM 0 HG21 VAL A 232 51.396 9.323 8.553 1.00 0.00 H new ATOM 0 HG22 VAL A 232 49.759 9.741 9.115 1.00 0.00 H new ATOM 0 HG23 VAL A 232 51.137 9.838 10.237 1.00 0.00 H new ATOM 1427 N ARG A 233 48.203 9.694 11.402 1.00 0.00 N ATOM 1428 CA ARG A 233 47.121 10.688 11.333 1.00 0.00 C ATOM 1429 C ARG A 233 47.421 11.755 10.262 1.00 0.00 C ATOM 1430 O ARG A 233 48.555 12.209 10.122 1.00 0.00 O ATOM 1431 CB ARG A 233 46.914 11.329 12.720 1.00 0.00 C ATOM 1432 CG ARG A 233 46.493 10.303 13.790 1.00 0.00 C ATOM 1433 CD ARG A 233 46.102 10.991 15.107 1.00 0.00 C ATOM 1434 NE ARG A 233 45.777 10.008 16.160 1.00 0.00 N ATOM 1435 CZ ARG A 233 44.631 9.351 16.324 1.00 0.00 C ATOM 1436 NH1 ARG A 233 43.604 9.516 15.514 1.00 0.00 N ATOM 1437 NH2 ARG A 233 44.502 8.505 17.323 1.00 0.00 N ATOM 0 H ARG A 233 48.994 10.027 11.952 1.00 0.00 H new ATOM 0 HA ARG A 233 46.198 10.187 11.041 1.00 0.00 H new ATOM 0 HB2 ARG A 233 47.838 11.816 13.033 1.00 0.00 H new ATOM 0 HB3 ARG A 233 46.153 12.106 12.647 1.00 0.00 H new ATOM 0 HG2 ARG A 233 45.652 9.716 13.421 1.00 0.00 H new ATOM 0 HG3 ARG A 233 47.312 9.607 13.971 1.00 0.00 H new ATOM 0 HD2 ARG A 233 46.921 11.627 15.443 1.00 0.00 H new ATOM 0 HD3 ARG A 233 45.243 11.640 14.938 1.00 0.00 H new ATOM 0 HE ARG A 233 46.513 9.810 16.838 1.00 0.00 H new ATOM 0 HH11 ARG A 233 43.672 10.165 14.730 1.00 0.00 H new ATOM 0 HH12 ARG A 233 42.741 8.995 15.671 1.00 0.00 H new ATOM 0 HH21 ARG A 233 45.278 8.355 17.968 1.00 0.00 H new ATOM 0 HH22 ARG A 233 43.626 7.999 17.453 1.00 0.00 H new