USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 417 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 422 ASN : amide:sc= 0 X(o=1.2,f=1.2) USER MOD Set 1.2: A 423 SER OG : rot 83:sc= 1.23 USER MOD Single : A 325 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.37) USER MOD Single : A 327 ASN : amide:sc= 0.171 X(o=0.17,f=-0.15) USER MOD Single : A 338 ASN : amide:sc= -1.79 K(o=-1.8,f=-6.3!) USER MOD Single : A 339 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.468) USER MOD Single : A 398 ASN : amide:sc= -4.38 K(o=-4.4,f=-8.3!) USER MOD Single : A 401 ASN : amide:sc= -2.05! C(o=-2.1!,f=-4.5!) USER MOD Single : A 402 TYR OH : rot 139:sc= -0.679 USER MOD Single : A 403 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.5!) USER MOD Single : A 404 THR OG1 : rot 180:sc= 0 USER MOD Single : A 406 THR OG1 : rot 180:sc= 0 USER MOD Single : A 407 GLN : amide:sc= -0.0436 K(o=-0.044,f=0.91) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 ASN : amide:sc= -5.96! C(o=-6!,f=-11!) USER MOD Single : A 415 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.278) USER MOD Single : A 417 THR OG1 : rot 103:sc= 0.0307 USER MOD Single : A 421 ASN : amide:sc= -3.29 K(o=-3.3,f=-2.3) USER MOD Single : A 424 SER OG : rot -110:sc= -2.22 USER MOD Single : A 425 TYR OH : rot -94:sc= 0.239 USER MOD ----------------------------------------------------------------- ATOM 347 N CYS A 320 -15.074 -1.670 -2.709 1.00 0.00 N ATOM 348 CA CYS A 320 -13.860 -1.348 -3.524 1.00 0.00 C ATOM 349 C CYS A 320 -14.227 -0.458 -4.714 1.00 0.00 C ATOM 350 O CYS A 320 -15.386 -0.245 -5.010 1.00 0.00 O ATOM 351 CB CYS A 320 -13.325 -2.694 -4.024 1.00 0.00 C ATOM 352 SG CYS A 320 -12.912 -3.755 -2.619 1.00 0.00 S ATOM 0 HA CYS A 320 -13.120 -0.808 -2.934 1.00 0.00 H new ATOM 0 HB2 CYS A 320 -14.072 -3.181 -4.651 1.00 0.00 H new ATOM 0 HB3 CYS A 320 -12.442 -2.536 -4.643 1.00 0.00 H new ATOM 357 N GLU A 321 -13.236 0.054 -5.395 1.00 0.00 N ATOM 358 CA GLU A 321 -13.497 0.931 -6.576 1.00 0.00 C ATOM 359 C GLU A 321 -13.810 0.076 -7.809 1.00 0.00 C ATOM 360 O GLU A 321 -13.661 -1.132 -7.787 1.00 0.00 O ATOM 361 CB GLU A 321 -12.198 1.723 -6.782 1.00 0.00 C ATOM 362 CG GLU A 321 -11.025 0.763 -7.057 1.00 0.00 C ATOM 363 CD GLU A 321 -9.965 0.903 -5.960 1.00 0.00 C ATOM 364 OE1 GLU A 321 -9.510 2.013 -5.744 1.00 0.00 O ATOM 365 OE2 GLU A 321 -9.629 -0.103 -5.357 1.00 0.00 O ATOM 0 H GLU A 321 -12.250 -0.098 -5.183 1.00 0.00 H new ATOM 0 HA GLU A 321 -14.352 1.589 -6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -12.314 2.415 -7.616 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -11.986 2.323 -5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -11.387 -0.265 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -10.585 0.983 -8.030 1.00 0.00 H new ATOM 372 N ASP A 322 -14.234 0.697 -8.881 1.00 0.00 N ATOM 373 CA ASP A 322 -14.547 -0.074 -10.125 1.00 0.00 C ATOM 374 C ASP A 322 -13.267 -0.738 -10.654 1.00 0.00 C ATOM 375 O ASP A 322 -12.379 -1.063 -9.892 1.00 0.00 O ATOM 376 CB ASP A 322 -15.078 0.968 -11.116 1.00 0.00 C ATOM 377 CG ASP A 322 -16.181 0.344 -11.973 1.00 0.00 C ATOM 378 OD1 ASP A 322 -16.976 -0.402 -11.426 1.00 0.00 O ATOM 379 OD2 ASP A 322 -16.211 0.624 -13.160 1.00 0.00 O ATOM 0 H ASP A 322 -14.377 1.705 -8.949 1.00 0.00 H new ATOM 0 HA ASP A 322 -15.273 -0.870 -9.958 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -15.467 1.832 -10.577 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -14.268 1.326 -11.752 1.00 0.00 H new ATOM 384 N ILE A 323 -13.162 -0.943 -11.950 1.00 0.00 N ATOM 385 CA ILE A 323 -11.932 -1.590 -12.529 1.00 0.00 C ATOM 386 C ILE A 323 -10.644 -0.927 -11.981 1.00 0.00 C ATOM 387 O ILE A 323 -10.296 0.165 -12.382 1.00 0.00 O ATOM 388 CB ILE A 323 -12.052 -1.388 -14.050 1.00 0.00 C ATOM 389 CG1 ILE A 323 -10.830 -1.993 -14.750 1.00 0.00 C ATOM 390 CG2 ILE A 323 -12.136 0.105 -14.382 1.00 0.00 C ATOM 391 CD1 ILE A 323 -10.812 -3.507 -14.534 1.00 0.00 C ATOM 0 H ILE A 323 -13.876 -0.690 -12.634 1.00 0.00 H new ATOM 0 HA ILE A 323 -11.864 -2.645 -12.263 1.00 0.00 H new ATOM 0 HB ILE A 323 -12.958 -1.884 -14.398 1.00 0.00 H new ATOM 0 HG12 ILE A 323 -10.861 -1.768 -15.816 1.00 0.00 H new ATOM 0 HG13 ILE A 323 -9.916 -1.549 -14.357 1.00 0.00 H new ATOM 0 HG21 ILE A 323 -12.221 0.234 -15.461 1.00 0.00 H new ATOM 0 HG22 ILE A 323 -13.010 0.537 -13.895 1.00 0.00 H new ATOM 0 HG23 ILE A 323 -11.237 0.608 -14.026 1.00 0.00 H new ATOM 0 HD11 ILE A 323 -9.942 -3.935 -15.032 1.00 0.00 H new ATOM 0 HD12 ILE A 323 -10.761 -3.722 -13.467 1.00 0.00 H new ATOM 0 HD13 ILE A 323 -11.720 -3.945 -14.949 1.00 0.00 H new ATOM 403 N PRO A 324 -9.978 -1.606 -11.065 1.00 0.00 N ATOM 404 CA PRO A 324 -8.744 -1.053 -10.470 1.00 0.00 C ATOM 405 C PRO A 324 -7.519 -1.437 -11.306 1.00 0.00 C ATOM 406 O PRO A 324 -7.567 -2.344 -12.114 1.00 0.00 O ATOM 407 CB PRO A 324 -8.688 -1.718 -9.101 1.00 0.00 C ATOM 408 CG PRO A 324 -9.463 -2.999 -9.235 1.00 0.00 C ATOM 409 CD PRO A 324 -10.292 -2.924 -10.497 1.00 0.00 C ATOM 0 HA PRO A 324 -8.745 0.036 -10.419 1.00 0.00 H new ATOM 0 HB2 PRO A 324 -7.658 -1.914 -8.803 1.00 0.00 H new ATOM 0 HB3 PRO A 324 -9.124 -1.075 -8.336 1.00 0.00 H new ATOM 0 HG2 PRO A 324 -8.784 -3.851 -9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 324 -10.106 -3.146 -8.367 1.00 0.00 H new ATOM 0 HD2 PRO A 324 -10.035 -3.726 -11.189 1.00 0.00 H new ATOM 0 HD3 PRO A 324 -11.356 -3.019 -10.279 1.00 0.00 H new ATOM 417 N HIS A 325 -6.422 -0.752 -11.107 1.00 0.00 N ATOM 418 CA HIS A 325 -5.181 -1.069 -11.874 1.00 0.00 C ATOM 419 C HIS A 325 -3.950 -0.842 -10.992 1.00 0.00 C ATOM 420 O HIS A 325 -3.395 0.241 -10.956 1.00 0.00 O ATOM 421 CB HIS A 325 -5.185 -0.096 -13.054 1.00 0.00 C ATOM 422 CG HIS A 325 -5.998 -0.678 -14.179 1.00 0.00 C ATOM 423 ND1 HIS A 325 -5.454 -1.546 -15.112 1.00 0.00 N ATOM 424 CD2 HIS A 325 -7.315 -0.522 -14.534 1.00 0.00 C ATOM 425 CE1 HIS A 325 -6.433 -1.879 -15.975 1.00 0.00 C ATOM 426 NE2 HIS A 325 -7.587 -1.282 -15.668 1.00 0.00 N ATOM 0 H HIS A 325 -6.333 0.017 -10.443 1.00 0.00 H new ATOM 0 HA HIS A 325 -5.150 -2.107 -12.205 1.00 0.00 H new ATOM 0 HB2 HIS A 325 -5.602 0.863 -12.747 1.00 0.00 H new ATOM 0 HB3 HIS A 325 -4.165 0.092 -13.388 1.00 0.00 H new ATOM 0 HD2 HIS A 325 -8.031 0.096 -14.013 1.00 0.00 H new ATOM 0 HE1 HIS A 325 -6.301 -2.547 -16.813 1.00 0.00 H new ATOM 0 HE2 HIS A 325 -8.477 -1.365 -16.159 1.00 0.00 H new ATOM 434 N VAL A 326 -3.522 -1.855 -10.279 1.00 0.00 N ATOM 435 CA VAL A 326 -2.328 -1.701 -9.394 1.00 0.00 C ATOM 436 C VAL A 326 -1.112 -2.402 -10.010 1.00 0.00 C ATOM 437 O VAL A 326 -1.247 -3.326 -10.789 1.00 0.00 O ATOM 438 CB VAL A 326 -2.722 -2.358 -8.063 1.00 0.00 C ATOM 439 CG1 VAL A 326 -3.935 -1.633 -7.471 1.00 0.00 C ATOM 440 CG2 VAL A 326 -3.075 -3.833 -8.288 1.00 0.00 C ATOM 0 H VAL A 326 -3.949 -2.781 -10.272 1.00 0.00 H new ATOM 0 HA VAL A 326 -2.050 -0.656 -9.259 1.00 0.00 H new ATOM 0 HB VAL A 326 -1.880 -2.291 -7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 326 -4.213 -2.101 -6.527 1.00 0.00 H new ATOM 0 HG12 VAL A 326 -3.685 -0.586 -7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 326 -4.772 -1.695 -8.167 1.00 0.00 H new ATOM 0 HG21 VAL A 326 -3.353 -4.290 -7.338 1.00 0.00 H new ATOM 0 HG22 VAL A 326 -3.911 -3.905 -8.984 1.00 0.00 H new ATOM 0 HG23 VAL A 326 -2.212 -4.354 -8.703 1.00 0.00 H new ATOM 450 N ASN A 327 0.072 -1.967 -9.659 1.00 0.00 N ATOM 451 CA ASN A 327 1.305 -2.601 -10.215 1.00 0.00 C ATOM 452 C ASN A 327 1.924 -3.543 -9.180 1.00 0.00 C ATOM 453 O ASN A 327 2.109 -3.182 -8.034 1.00 0.00 O ATOM 454 CB ASN A 327 2.249 -1.436 -10.516 1.00 0.00 C ATOM 455 CG ASN A 327 3.037 -1.736 -11.793 1.00 0.00 C ATOM 456 OD1 ASN A 327 4.083 -2.352 -11.744 1.00 0.00 O ATOM 457 ND2 ASN A 327 2.577 -1.323 -12.941 1.00 0.00 N ATOM 0 H ASN A 327 0.238 -1.198 -9.010 1.00 0.00 H new ATOM 0 HA ASN A 327 1.100 -3.197 -11.104 1.00 0.00 H new ATOM 0 HB2 ASN A 327 1.680 -0.514 -10.635 1.00 0.00 H new ATOM 0 HB3 ASN A 327 2.933 -1.283 -9.681 1.00 0.00 H new ATOM 0 HD21 ASN A 327 3.095 -1.517 -13.798 1.00 0.00 H new ATOM 0 HD22 ASN A 327 1.699 -0.806 -12.982 1.00 0.00 H new ATOM 464 N GLU A 328 2.244 -4.747 -9.580 1.00 0.00 N ATOM 465 CA GLU A 328 2.851 -5.723 -8.625 1.00 0.00 C ATOM 466 C GLU A 328 4.380 -5.665 -8.705 1.00 0.00 C ATOM 467 O GLU A 328 4.951 -5.617 -9.778 1.00 0.00 O ATOM 468 CB GLU A 328 2.343 -7.091 -9.083 1.00 0.00 C ATOM 469 CG GLU A 328 0.937 -7.326 -8.529 1.00 0.00 C ATOM 470 CD GLU A 328 0.237 -8.407 -9.354 1.00 0.00 C ATOM 471 OE1 GLU A 328 0.809 -9.475 -9.501 1.00 0.00 O ATOM 472 OE2 GLU A 328 -0.858 -8.150 -9.826 1.00 0.00 O ATOM 0 H GLU A 328 2.111 -5.097 -10.529 1.00 0.00 H new ATOM 0 HA GLU A 328 2.580 -5.511 -7.591 1.00 0.00 H new ATOM 0 HB2 GLU A 328 2.329 -7.139 -10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 328 3.017 -7.875 -8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 328 0.993 -7.630 -7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 328 0.363 -6.400 -8.561 1.00 0.00 H new ATOM 479 N PHE A 329 5.041 -5.669 -7.575 1.00 0.00 N ATOM 480 CA PHE A 329 6.533 -5.617 -7.573 1.00 0.00 C ATOM 481 C PHE A 329 7.108 -6.983 -7.163 1.00 0.00 C ATOM 482 O PHE A 329 7.141 -7.302 -5.992 1.00 0.00 O ATOM 483 CB PHE A 329 6.891 -4.552 -6.534 1.00 0.00 C ATOM 484 CG PHE A 329 8.057 -3.729 -7.030 1.00 0.00 C ATOM 485 CD1 PHE A 329 7.880 -2.835 -8.093 1.00 0.00 C ATOM 486 CD2 PHE A 329 9.314 -3.860 -6.428 1.00 0.00 C ATOM 487 CE1 PHE A 329 8.959 -2.071 -8.554 1.00 0.00 C ATOM 488 CE2 PHE A 329 10.394 -3.097 -6.888 1.00 0.00 C ATOM 489 CZ PHE A 329 10.216 -2.203 -7.952 1.00 0.00 C ATOM 0 H PHE A 329 4.609 -5.706 -6.652 1.00 0.00 H new ATOM 0 HA PHE A 329 6.941 -5.380 -8.556 1.00 0.00 H new ATOM 0 HB2 PHE A 329 6.032 -3.908 -6.348 1.00 0.00 H new ATOM 0 HB3 PHE A 329 7.145 -5.026 -5.586 1.00 0.00 H new ATOM 0 HD1 PHE A 329 6.910 -2.735 -8.558 1.00 0.00 H new ATOM 0 HD2 PHE A 329 9.451 -4.550 -5.608 1.00 0.00 H new ATOM 0 HE1 PHE A 329 8.822 -1.381 -9.373 1.00 0.00 H new ATOM 0 HE2 PHE A 329 11.364 -3.197 -6.423 1.00 0.00 H new ATOM 0 HZ PHE A 329 11.049 -1.615 -8.308 1.00 0.00 H new ATOM 499 N PRO A 330 7.547 -7.754 -8.136 1.00 0.00 N ATOM 500 CA PRO A 330 8.117 -9.090 -7.830 1.00 0.00 C ATOM 501 C PRO A 330 9.481 -8.945 -7.149 1.00 0.00 C ATOM 502 O PRO A 330 10.507 -9.278 -7.713 1.00 0.00 O ATOM 503 CB PRO A 330 8.257 -9.747 -9.202 1.00 0.00 C ATOM 504 CG PRO A 330 8.356 -8.610 -10.166 1.00 0.00 C ATOM 505 CD PRO A 330 7.559 -7.474 -9.583 1.00 0.00 C ATOM 0 HA PRO A 330 7.499 -9.674 -7.148 1.00 0.00 H new ATOM 0 HB2 PRO A 330 9.142 -10.381 -9.247 1.00 0.00 H new ATOM 0 HB3 PRO A 330 7.399 -10.381 -9.426 1.00 0.00 H new ATOM 0 HG2 PRO A 330 9.396 -8.317 -10.313 1.00 0.00 H new ATOM 0 HG3 PRO A 330 7.964 -8.896 -11.142 1.00 0.00 H new ATOM 0 HD2 PRO A 330 8.020 -6.510 -9.799 1.00 0.00 H new ATOM 0 HD3 PRO A 330 6.549 -7.443 -9.992 1.00 0.00 H new ATOM 513 N ALA A 331 9.496 -8.449 -5.936 1.00 0.00 N ATOM 514 CA ALA A 331 10.791 -8.276 -5.202 1.00 0.00 C ATOM 515 C ALA A 331 11.510 -9.623 -5.069 1.00 0.00 C ATOM 516 O ALA A 331 11.302 -10.355 -4.120 1.00 0.00 O ATOM 517 CB ALA A 331 10.405 -7.738 -3.822 1.00 0.00 C ATOM 0 H ALA A 331 8.666 -8.156 -5.421 1.00 0.00 H new ATOM 0 HA ALA A 331 11.470 -7.602 -5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 331 11.305 -7.586 -3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 331 9.880 -6.789 -3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 331 9.755 -8.455 -3.321 1.00 0.00 H new ATOM 523 N ILE A 332 12.348 -9.952 -6.019 1.00 0.00 N ATOM 524 CA ILE A 332 13.079 -11.254 -5.960 1.00 0.00 C ATOM 525 C ILE A 332 14.593 -11.019 -5.860 1.00 0.00 C ATOM 526 O ILE A 332 15.325 -11.865 -5.380 1.00 0.00 O ATOM 527 CB ILE A 332 12.729 -11.969 -7.272 1.00 0.00 C ATOM 528 CG1 ILE A 332 11.215 -12.186 -7.354 1.00 0.00 C ATOM 529 CG2 ILE A 332 13.433 -13.329 -7.324 1.00 0.00 C ATOM 530 CD1 ILE A 332 10.790 -12.272 -8.821 1.00 0.00 C ATOM 0 H ILE A 332 12.558 -9.375 -6.833 1.00 0.00 H new ATOM 0 HA ILE A 332 12.796 -11.842 -5.087 1.00 0.00 H new ATOM 0 HB ILE A 332 13.058 -11.354 -8.110 1.00 0.00 H new ATOM 0 HG12 ILE A 332 10.939 -13.101 -6.830 1.00 0.00 H new ATOM 0 HG13 ILE A 332 10.692 -11.367 -6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 332 13.182 -13.833 -8.257 1.00 0.00 H new ATOM 0 HG22 ILE A 332 14.512 -13.183 -7.270 1.00 0.00 H new ATOM 0 HG23 ILE A 332 13.107 -13.940 -6.482 1.00 0.00 H new ATOM 0 HD11 ILE A 332 9.713 -12.426 -8.879 1.00 0.00 H new ATOM 0 HD12 ILE A 332 11.052 -11.345 -9.331 1.00 0.00 H new ATOM 0 HD13 ILE A 332 11.302 -13.106 -9.300 1.00 0.00 H new ATOM 542 N ASP A 333 15.070 -9.883 -6.312 1.00 0.00 N ATOM 543 CA ASP A 333 16.538 -9.609 -6.244 1.00 0.00 C ATOM 544 C ASP A 333 16.812 -8.101 -6.220 1.00 0.00 C ATOM 545 O ASP A 333 17.196 -7.514 -7.215 1.00 0.00 O ATOM 546 CB ASP A 333 17.114 -10.237 -7.514 1.00 0.00 C ATOM 547 CG ASP A 333 18.632 -10.362 -7.379 1.00 0.00 C ATOM 548 OD1 ASP A 333 19.243 -9.427 -6.886 1.00 0.00 O ATOM 549 OD2 ASP A 333 19.160 -11.390 -7.770 1.00 0.00 O ATOM 0 H ASP A 333 14.508 -9.138 -6.723 1.00 0.00 H new ATOM 0 HA ASP A 333 16.987 -10.019 -5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 333 16.671 -11.219 -7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 333 16.865 -9.624 -8.380 1.00 0.00 H new ATOM 554 N LEU A 334 16.627 -7.474 -5.084 1.00 0.00 N ATOM 555 CA LEU A 334 16.887 -6.003 -4.975 1.00 0.00 C ATOM 556 C LEU A 334 16.771 -5.554 -3.515 1.00 0.00 C ATOM 557 O LEU A 334 16.746 -6.365 -2.609 1.00 0.00 O ATOM 558 CB LEU A 334 15.823 -5.316 -5.845 1.00 0.00 C ATOM 559 CG LEU A 334 14.415 -5.724 -5.400 1.00 0.00 C ATOM 560 CD1 LEU A 334 13.964 -4.837 -4.237 1.00 0.00 C ATOM 561 CD2 LEU A 334 13.446 -5.553 -6.576 1.00 0.00 C ATOM 0 H LEU A 334 16.306 -7.919 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 334 17.892 -5.745 -5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 334 15.933 -4.234 -5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 334 15.972 -5.585 -6.891 1.00 0.00 H new ATOM 0 HG LEU A 334 14.423 -6.765 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 334 12.962 -5.130 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 334 14.655 -4.953 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 334 13.954 -3.795 -4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 334 12.442 -5.842 -6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 334 13.441 -4.511 -6.895 1.00 0.00 H new ATOM 0 HD23 LEU A 334 13.765 -6.185 -7.405 1.00 0.00 H new ATOM 573 N PHE A 335 16.707 -4.267 -3.284 1.00 0.00 N ATOM 574 CA PHE A 335 16.601 -3.756 -1.883 1.00 0.00 C ATOM 575 C PHE A 335 15.159 -3.869 -1.379 1.00 0.00 C ATOM 576 O PHE A 335 14.873 -4.613 -0.460 1.00 0.00 O ATOM 577 CB PHE A 335 17.030 -2.289 -1.959 1.00 0.00 C ATOM 578 CG PHE A 335 17.083 -1.707 -0.567 1.00 0.00 C ATOM 579 CD1 PHE A 335 17.881 -2.308 0.413 1.00 0.00 C ATOM 580 CD2 PHE A 335 16.330 -0.568 -0.256 1.00 0.00 C ATOM 581 CE1 PHE A 335 17.929 -1.768 1.705 1.00 0.00 C ATOM 582 CE2 PHE A 335 16.378 -0.028 1.035 1.00 0.00 C ATOM 583 CZ PHE A 335 17.178 -0.628 2.015 1.00 0.00 C ATOM 0 H PHE A 335 16.724 -3.547 -4.006 1.00 0.00 H new ATOM 0 HA PHE A 335 17.221 -4.327 -1.192 1.00 0.00 H new ATOM 0 HB2 PHE A 335 18.007 -2.209 -2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 335 16.328 -1.725 -2.574 1.00 0.00 H new ATOM 0 HD1 PHE A 335 18.460 -3.188 0.173 1.00 0.00 H new ATOM 0 HD2 PHE A 335 15.712 -0.106 -1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 335 18.545 -2.231 2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 335 15.798 0.851 1.275 1.00 0.00 H new ATOM 0 HZ PHE A 335 17.216 -0.211 3.011 1.00 0.00 H new ATOM 593 N GLU A 336 14.251 -3.136 -1.973 1.00 0.00 N ATOM 594 CA GLU A 336 12.826 -3.196 -1.531 1.00 0.00 C ATOM 595 C GLU A 336 11.898 -2.740 -2.661 1.00 0.00 C ATOM 596 O GLU A 336 12.306 -2.625 -3.801 1.00 0.00 O ATOM 597 CB GLU A 336 12.741 -2.235 -0.345 1.00 0.00 C ATOM 598 CG GLU A 336 11.771 -2.794 0.698 1.00 0.00 C ATOM 599 CD GLU A 336 12.246 -2.405 2.098 1.00 0.00 C ATOM 600 OE1 GLU A 336 12.409 -1.220 2.338 1.00 0.00 O ATOM 601 OE2 GLU A 336 12.438 -3.297 2.907 1.00 0.00 O ATOM 0 H GLU A 336 14.437 -2.498 -2.747 1.00 0.00 H new ATOM 0 HA GLU A 336 12.520 -4.207 -1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 336 13.728 -2.099 0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 336 12.404 -1.254 -0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 336 10.768 -2.406 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 336 11.713 -3.879 0.611 1.00 0.00 H new ATOM 608 N CYS A 337 10.652 -2.483 -2.350 1.00 0.00 N ATOM 609 CA CYS A 337 9.688 -2.038 -3.401 1.00 0.00 C ATOM 610 C CYS A 337 9.562 -0.511 -3.393 1.00 0.00 C ATOM 611 O CYS A 337 8.511 0.032 -3.674 1.00 0.00 O ATOM 612 CB CYS A 337 8.354 -2.683 -3.019 1.00 0.00 C ATOM 613 SG CYS A 337 8.513 -4.487 -3.065 1.00 0.00 S ATOM 0 H CYS A 337 10.261 -2.563 -1.411 1.00 0.00 H new ATOM 0 HA CYS A 337 10.010 -2.327 -4.401 1.00 0.00 H new ATOM 0 HB2 CYS A 337 8.055 -2.360 -2.022 1.00 0.00 H new ATOM 0 HB3 CYS A 337 7.572 -2.359 -3.706 1.00 0.00 H new ATOM 618 N ASN A 338 10.627 0.180 -3.072 1.00 0.00 N ATOM 619 CA ASN A 338 10.575 1.674 -3.042 1.00 0.00 C ATOM 620 C ASN A 338 10.891 2.243 -4.428 1.00 0.00 C ATOM 621 O ASN A 338 10.431 3.312 -4.787 1.00 0.00 O ATOM 622 CB ASN A 338 11.646 2.089 -2.032 1.00 0.00 C ATOM 623 CG ASN A 338 11.282 1.550 -0.646 1.00 0.00 C ATOM 624 OD1 ASN A 338 10.905 0.404 -0.506 1.00 0.00 O ATOM 625 ND2 ASN A 338 11.379 2.336 0.391 1.00 0.00 N ATOM 0 H ASN A 338 11.531 -0.226 -2.829 1.00 0.00 H new ATOM 0 HA ASN A 338 9.589 2.047 -2.765 1.00 0.00 H new ATOM 0 HB2 ASN A 338 12.618 1.704 -2.339 1.00 0.00 H new ATOM 0 HB3 ASN A 338 11.729 3.175 -2.000 1.00 0.00 H new ATOM 0 HD21 ASN A 338 11.138 1.988 1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 338 11.696 3.298 0.274 1.00 0.00 H new ATOM 632 N LYS A 339 11.672 1.538 -5.207 1.00 0.00 N ATOM 633 CA LYS A 339 12.023 2.034 -6.573 1.00 0.00 C ATOM 634 C LYS A 339 10.886 1.729 -7.554 1.00 0.00 C ATOM 635 O LYS A 339 9.917 1.081 -7.208 1.00 0.00 O ATOM 636 CB LYS A 339 13.288 1.266 -6.964 1.00 0.00 C ATOM 637 CG LYS A 339 14.517 2.153 -6.754 1.00 0.00 C ATOM 638 CD LYS A 339 15.700 1.291 -6.311 1.00 0.00 C ATOM 639 CE LYS A 339 16.999 2.083 -6.474 1.00 0.00 C ATOM 640 NZ LYS A 339 16.895 3.200 -5.495 1.00 0.00 N ATOM 0 H LYS A 339 12.082 0.639 -4.956 1.00 0.00 H new ATOM 0 HA LYS A 339 12.180 3.112 -6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 339 13.375 0.360 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 339 13.227 0.953 -8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 339 14.762 2.678 -7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 339 14.306 2.913 -6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 339 15.574 0.989 -5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 339 15.741 0.378 -6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 339 17.870 1.459 -6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 339 17.107 2.459 -7.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 17.842 3.589 -5.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 16.284 3.947 -5.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 16.486 2.846 -4.607 1.00 0.00 H new ATOM 654 N LEU A 340 11.001 2.195 -8.772 1.00 0.00 N ATOM 655 CA LEU A 340 9.932 1.938 -9.783 1.00 0.00 C ATOM 656 C LEU A 340 10.528 1.273 -11.027 1.00 0.00 C ATOM 657 O LEU A 340 11.547 1.696 -11.539 1.00 0.00 O ATOM 658 CB LEU A 340 9.366 3.324 -10.128 1.00 0.00 C ATOM 659 CG LEU A 340 7.979 3.512 -9.492 1.00 0.00 C ATOM 660 CD1 LEU A 340 7.014 2.446 -10.019 1.00 0.00 C ATOM 661 CD2 LEU A 340 8.086 3.394 -7.967 1.00 0.00 C ATOM 0 H LEU A 340 11.792 2.744 -9.110 1.00 0.00 H new ATOM 0 HA LEU A 340 9.160 1.267 -9.406 1.00 0.00 H new ATOM 0 HB2 LEU A 340 10.044 4.099 -9.772 1.00 0.00 H new ATOM 0 HB3 LEU A 340 9.295 3.435 -11.210 1.00 0.00 H new ATOM 0 HG LEU A 340 7.602 4.501 -9.753 1.00 0.00 H new ATOM 0 HD11 LEU A 340 6.034 2.586 -9.564 1.00 0.00 H new ATOM 0 HD12 LEU A 340 6.928 2.537 -11.102 1.00 0.00 H new ATOM 0 HD13 LEU A 340 7.393 1.456 -9.767 1.00 0.00 H new ATOM 0 HD21 LEU A 340 7.100 3.528 -7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 340 8.472 2.409 -7.704 1.00 0.00 H new ATOM 0 HD23 LEU A 340 8.762 4.161 -7.589 1.00 0.00 H new ATOM 673 N VAL A 341 9.895 0.236 -11.515 1.00 0.00 N ATOM 674 CA VAL A 341 10.414 -0.464 -12.728 1.00 0.00 C ATOM 675 C VAL A 341 9.755 0.107 -13.989 1.00 0.00 C ATOM 676 O VAL A 341 8.784 0.836 -13.912 1.00 0.00 O ATOM 677 CB VAL A 341 10.044 -1.943 -12.527 1.00 0.00 C ATOM 678 CG1 VAL A 341 8.524 -2.100 -12.403 1.00 0.00 C ATOM 679 CG2 VAL A 341 10.540 -2.763 -13.721 1.00 0.00 C ATOM 0 H VAL A 341 9.039 -0.157 -11.124 1.00 0.00 H new ATOM 0 HA VAL A 341 11.489 -0.337 -12.855 1.00 0.00 H new ATOM 0 HB VAL A 341 10.515 -2.300 -11.611 1.00 0.00 H new ATOM 0 HG11 VAL A 341 8.277 -3.152 -12.261 1.00 0.00 H new ATOM 0 HG12 VAL A 341 8.167 -1.525 -11.548 1.00 0.00 H new ATOM 0 HG13 VAL A 341 8.045 -1.734 -13.311 1.00 0.00 H new ATOM 0 HG21 VAL A 341 10.277 -3.811 -13.577 1.00 0.00 H new ATOM 0 HG22 VAL A 341 10.074 -2.394 -14.635 1.00 0.00 H new ATOM 0 HG23 VAL A 341 11.623 -2.669 -13.803 1.00 0.00 H new ATOM 689 N PHE A 342 10.275 -0.221 -15.145 1.00 0.00 N ATOM 690 CA PHE A 342 9.681 0.298 -16.416 1.00 0.00 C ATOM 691 C PHE A 342 8.335 -0.383 -16.684 1.00 0.00 C ATOM 692 O PHE A 342 8.179 -1.118 -17.643 1.00 0.00 O ATOM 693 CB PHE A 342 10.693 -0.057 -17.508 1.00 0.00 C ATOM 694 CG PHE A 342 10.621 0.965 -18.616 1.00 0.00 C ATOM 695 CD1 PHE A 342 9.488 1.028 -19.436 1.00 0.00 C ATOM 696 CD2 PHE A 342 11.685 1.851 -18.824 1.00 0.00 C ATOM 697 CE1 PHE A 342 9.419 1.975 -20.465 1.00 0.00 C ATOM 698 CE2 PHE A 342 11.616 2.798 -19.852 1.00 0.00 C ATOM 699 CZ PHE A 342 10.483 2.861 -20.673 1.00 0.00 C ATOM 0 H PHE A 342 11.087 -0.827 -15.264 1.00 0.00 H new ATOM 0 HA PHE A 342 9.493 1.371 -16.375 1.00 0.00 H new ATOM 0 HB2 PHE A 342 11.699 -0.085 -17.090 1.00 0.00 H new ATOM 0 HB3 PHE A 342 10.484 -1.051 -17.902 1.00 0.00 H new ATOM 0 HD1 PHE A 342 8.667 0.346 -19.275 1.00 0.00 H new ATOM 0 HD2 PHE A 342 12.559 1.804 -18.191 1.00 0.00 H new ATOM 0 HE1 PHE A 342 8.545 2.022 -21.098 1.00 0.00 H new ATOM 0 HE2 PHE A 342 12.437 3.481 -20.012 1.00 0.00 H new ATOM 0 HZ PHE A 342 10.430 3.592 -21.466 1.00 0.00 H new ATOM 709 N GLU A 343 7.364 -0.142 -15.841 1.00 0.00 N ATOM 710 CA GLU A 343 6.022 -0.770 -16.033 1.00 0.00 C ATOM 711 C GLU A 343 4.914 0.177 -15.557 1.00 0.00 C ATOM 712 O GLU A 343 3.900 0.334 -16.210 1.00 0.00 O ATOM 713 CB GLU A 343 6.050 -2.034 -15.173 1.00 0.00 C ATOM 714 CG GLU A 343 5.236 -3.136 -15.855 1.00 0.00 C ATOM 715 CD GLU A 343 3.754 -2.761 -15.838 1.00 0.00 C ATOM 716 OE1 GLU A 343 3.332 -2.052 -16.738 1.00 0.00 O ATOM 717 OE2 GLU A 343 3.065 -3.190 -14.927 1.00 0.00 O ATOM 0 H GLU A 343 7.443 0.465 -15.025 1.00 0.00 H new ATOM 0 HA GLU A 343 5.819 -0.991 -17.081 1.00 0.00 H new ATOM 0 HB2 GLU A 343 7.078 -2.365 -15.028 1.00 0.00 H new ATOM 0 HB3 GLU A 343 5.640 -1.823 -14.185 1.00 0.00 H new ATOM 0 HG2 GLU A 343 5.576 -3.271 -16.882 1.00 0.00 H new ATOM 0 HG3 GLU A 343 5.388 -4.085 -15.341 1.00 0.00 H new ATOM 724 N LEU A 344 5.104 0.804 -14.424 1.00 0.00 N ATOM 725 CA LEU A 344 4.065 1.742 -13.897 1.00 0.00 C ATOM 726 C LEU A 344 4.152 3.117 -14.580 1.00 0.00 C ATOM 727 O LEU A 344 3.412 4.023 -14.244 1.00 0.00 O ATOM 728 CB LEU A 344 4.372 1.871 -12.403 1.00 0.00 C ATOM 729 CG LEU A 344 3.063 1.964 -11.617 1.00 0.00 C ATOM 730 CD1 LEU A 344 3.321 1.616 -10.151 1.00 0.00 C ATOM 731 CD2 LEU A 344 2.514 3.389 -11.712 1.00 0.00 C ATOM 0 H LEU A 344 5.935 0.707 -13.840 1.00 0.00 H new ATOM 0 HA LEU A 344 3.058 1.370 -14.087 1.00 0.00 H new ATOM 0 HB2 LEU A 344 4.951 1.012 -12.065 1.00 0.00 H new ATOM 0 HB3 LEU A 344 4.981 2.757 -12.222 1.00 0.00 H new ATOM 0 HG LEU A 344 2.339 1.264 -12.034 1.00 0.00 H new ATOM 0 HD11 LEU A 344 2.388 1.683 -9.592 1.00 0.00 H new ATOM 0 HD12 LEU A 344 3.714 0.602 -10.082 1.00 0.00 H new ATOM 0 HD13 LEU A 344 4.045 2.315 -9.733 1.00 0.00 H new ATOM 0 HD21 LEU A 344 1.581 3.458 -11.153 1.00 0.00 H new ATOM 0 HD22 LEU A 344 3.240 4.087 -11.294 1.00 0.00 H new ATOM 0 HD23 LEU A 344 2.330 3.639 -12.757 1.00 0.00 H new ATOM 1585 N ASN A 398 7.825 5.497 -0.186 1.00 0.00 N ATOM 1586 CA ASN A 398 6.897 4.450 -0.710 1.00 0.00 C ATOM 1587 C ASN A 398 5.451 4.953 -0.658 1.00 0.00 C ATOM 1588 O ASN A 398 5.042 5.593 0.292 1.00 0.00 O ATOM 1589 CB ASN A 398 7.086 3.243 0.214 1.00 0.00 C ATOM 1590 CG ASN A 398 6.808 3.646 1.666 1.00 0.00 C ATOM 1591 OD1 ASN A 398 5.669 3.746 2.074 1.00 0.00 O ATOM 1592 ND2 ASN A 398 7.810 3.884 2.467 1.00 0.00 N ATOM 0 HA ASN A 398 7.107 4.196 -1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 398 6.414 2.438 -0.084 1.00 0.00 H new ATOM 0 HB3 ASN A 398 8.102 2.860 0.122 1.00 0.00 H new ATOM 0 HD21 ASN A 398 7.636 4.154 3.435 1.00 0.00 H new ATOM 0 HD22 ASN A 398 8.767 3.800 2.125 1.00 0.00 H new ATOM 1599 N TRP A 399 4.677 4.666 -1.674 1.00 0.00 N ATOM 1600 CA TRP A 399 3.253 5.125 -1.696 1.00 0.00 C ATOM 1601 C TRP A 399 2.369 4.085 -2.393 1.00 0.00 C ATOM 1602 O TRP A 399 1.663 4.390 -3.335 1.00 0.00 O ATOM 1603 CB TRP A 399 3.260 6.446 -2.482 1.00 0.00 C ATOM 1604 CG TRP A 399 3.847 6.234 -3.846 1.00 0.00 C ATOM 1605 CD1 TRP A 399 5.170 6.150 -4.114 1.00 0.00 C ATOM 1606 CD2 TRP A 399 3.159 6.079 -5.122 1.00 0.00 C ATOM 1607 NE1 TRP A 399 5.338 5.952 -5.473 1.00 0.00 N ATOM 1608 CE2 TRP A 399 4.129 5.901 -6.137 1.00 0.00 C ATOM 1609 CE3 TRP A 399 1.802 6.074 -5.494 1.00 0.00 C ATOM 1610 CZ2 TRP A 399 3.766 5.725 -7.473 1.00 0.00 C ATOM 1611 CZ3 TRP A 399 1.434 5.897 -6.838 1.00 0.00 C ATOM 1612 CH2 TRP A 399 2.414 5.723 -7.825 1.00 0.00 C ATOM 0 H TRP A 399 4.970 4.132 -2.492 1.00 0.00 H new ATOM 0 HA TRP A 399 2.852 5.258 -0.691 1.00 0.00 H new ATOM 0 HB2 TRP A 399 2.244 6.830 -2.571 1.00 0.00 H new ATOM 0 HB3 TRP A 399 3.838 7.196 -1.942 1.00 0.00 H new ATOM 0 HD1 TRP A 399 5.965 6.225 -3.387 1.00 0.00 H new ATOM 0 HE1 TRP A 399 6.245 5.855 -5.929 1.00 0.00 H new ATOM 0 HE3 TRP A 399 1.039 6.207 -4.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 399 4.525 5.591 -8.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 399 0.389 5.895 -7.113 1.00 0.00 H new ATOM 0 HH2 TRP A 399 2.124 5.588 -8.857 1.00 0.00 H new ATOM 1623 N GLY A 400 2.406 2.860 -1.933 1.00 0.00 N ATOM 1624 CA GLY A 400 1.570 1.795 -2.562 1.00 0.00 C ATOM 1625 C GLY A 400 1.113 0.800 -1.496 1.00 0.00 C ATOM 1626 O GLY A 400 1.277 1.028 -0.312 1.00 0.00 O ATOM 0 H GLY A 400 2.980 2.552 -1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 400 0.704 2.241 -3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 400 2.142 1.279 -3.333 1.00 0.00 H new ATOM 1630 N ASN A 401 0.542 -0.300 -1.912 1.00 0.00 N ATOM 1631 CA ASN A 401 0.067 -1.323 -0.933 1.00 0.00 C ATOM 1632 C ASN A 401 1.063 -2.485 -0.864 1.00 0.00 C ATOM 1633 O ASN A 401 1.864 -2.678 -1.759 1.00 0.00 O ATOM 1634 CB ASN A 401 -1.277 -1.810 -1.482 1.00 0.00 C ATOM 1635 CG ASN A 401 -2.249 -0.633 -1.601 1.00 0.00 C ATOM 1636 OD1 ASN A 401 -2.280 0.234 -0.749 1.00 0.00 O ATOM 1637 ND2 ASN A 401 -3.048 -0.566 -2.630 1.00 0.00 N ATOM 0 H ASN A 401 0.383 -0.535 -2.892 1.00 0.00 H new ATOM 0 HA ASN A 401 -0.027 -0.916 0.074 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -1.134 -2.275 -2.457 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -1.694 -2.572 -0.824 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -3.699 0.214 -2.720 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -3.022 -1.294 -3.344 1.00 0.00 H new ATOM 1644 N TYR A 402 1.016 -3.258 0.191 1.00 0.00 N ATOM 1645 CA TYR A 402 1.953 -4.412 0.326 1.00 0.00 C ATOM 1646 C TYR A 402 1.192 -5.640 0.833 1.00 0.00 C ATOM 1647 O TYR A 402 0.613 -5.614 1.904 1.00 0.00 O ATOM 1648 CB TYR A 402 2.989 -3.966 1.360 1.00 0.00 C ATOM 1649 CG TYR A 402 4.023 -3.080 0.706 1.00 0.00 C ATOM 1650 CD1 TYR A 402 3.709 -1.753 0.389 1.00 0.00 C ATOM 1651 CD2 TYR A 402 5.298 -3.585 0.423 1.00 0.00 C ATOM 1652 CE1 TYR A 402 4.671 -0.931 -0.213 1.00 0.00 C ATOM 1653 CE2 TYR A 402 6.258 -2.763 -0.178 1.00 0.00 C ATOM 1654 CZ TYR A 402 5.945 -1.437 -0.496 1.00 0.00 C ATOM 1655 OH TYR A 402 6.893 -0.627 -1.087 1.00 0.00 O ATOM 0 H TYR A 402 0.366 -3.138 0.968 1.00 0.00 H new ATOM 0 HA TYR A 402 2.416 -4.684 -0.622 1.00 0.00 H new ATOM 0 HB2 TYR A 402 2.498 -3.428 2.171 1.00 0.00 H new ATOM 0 HB3 TYR A 402 3.472 -4.837 1.802 1.00 0.00 H new ATOM 0 HD1 TYR A 402 2.726 -1.363 0.608 1.00 0.00 H new ATOM 0 HD2 TYR A 402 5.540 -4.608 0.668 1.00 0.00 H new ATOM 0 HE1 TYR A 402 4.430 0.093 -0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 402 7.241 -3.153 -0.397 1.00 0.00 H new ATOM 0 HH TYR A 402 7.765 -0.786 -0.669 1.00 0.00 H new ATOM 1665 N ASN A 403 1.186 -6.713 0.079 1.00 0.00 N ATOM 1666 CA ASN A 403 0.460 -7.936 0.535 1.00 0.00 C ATOM 1667 C ASN A 403 1.463 -9.010 0.964 1.00 0.00 C ATOM 1668 O ASN A 403 2.365 -9.357 0.223 1.00 0.00 O ATOM 1669 CB ASN A 403 -0.360 -8.396 -0.678 1.00 0.00 C ATOM 1670 CG ASN A 403 0.571 -8.719 -1.848 1.00 0.00 C ATOM 1671 OD1 ASN A 403 1.089 -7.830 -2.494 1.00 0.00 O ATOM 1672 ND2 ASN A 403 0.805 -9.967 -2.148 1.00 0.00 N ATOM 0 H ASN A 403 1.650 -6.793 -0.826 1.00 0.00 H new ATOM 0 HA ASN A 403 -0.181 -7.743 1.396 1.00 0.00 H new ATOM 0 HB2 ASN A 403 -0.948 -9.276 -0.417 1.00 0.00 H new ATOM 0 HB3 ASN A 403 -1.064 -7.616 -0.968 1.00 0.00 H new ATOM 0 HD21 ASN A 403 1.424 -10.197 -2.926 1.00 0.00 H new ATOM 0 HD22 ASN A 403 0.369 -10.712 -1.605 1.00 0.00 H new ATOM 1679 N THR A 404 1.319 -9.530 2.157 1.00 0.00 N ATOM 1680 CA THR A 404 2.274 -10.575 2.636 1.00 0.00 C ATOM 1681 C THR A 404 1.777 -11.973 2.255 1.00 0.00 C ATOM 1682 O THR A 404 1.135 -12.654 3.031 1.00 0.00 O ATOM 1683 CB THR A 404 2.331 -10.409 4.162 1.00 0.00 C ATOM 1684 OG1 THR A 404 3.203 -11.389 4.707 1.00 0.00 O ATOM 1685 CG2 THR A 404 0.934 -10.574 4.774 1.00 0.00 C ATOM 0 H THR A 404 0.584 -9.277 2.818 1.00 0.00 H new ATOM 0 HA THR A 404 3.260 -10.463 2.185 1.00 0.00 H new ATOM 0 HB THR A 404 2.699 -9.410 4.395 1.00 0.00 H new ATOM 0 HG1 THR A 404 3.243 -11.286 5.681 1.00 0.00 H new ATOM 0 HG21 THR A 404 0.994 -10.453 5.856 1.00 0.00 H new ATOM 0 HG22 THR A 404 0.264 -9.819 4.361 1.00 0.00 H new ATOM 0 HG23 THR A 404 0.549 -11.567 4.541 1.00 0.00 H new ATOM 1693 N GLU A 405 2.089 -12.407 1.061 1.00 0.00 N ATOM 1694 CA GLU A 405 1.665 -13.763 0.611 1.00 0.00 C ATOM 1695 C GLU A 405 2.901 -14.589 0.250 1.00 0.00 C ATOM 1696 O GLU A 405 3.216 -15.572 0.895 1.00 0.00 O ATOM 1697 CB GLU A 405 0.796 -13.520 -0.626 1.00 0.00 C ATOM 1698 CG GLU A 405 -0.414 -14.457 -0.595 1.00 0.00 C ATOM 1699 CD GLU A 405 -1.550 -13.850 -1.420 1.00 0.00 C ATOM 1700 OE1 GLU A 405 -1.342 -13.618 -2.600 1.00 0.00 O ATOM 1701 OE2 GLU A 405 -2.610 -13.628 -0.858 1.00 0.00 O ATOM 0 H GLU A 405 2.624 -11.875 0.375 1.00 0.00 H new ATOM 0 HA GLU A 405 1.121 -14.311 1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 405 0.464 -12.482 -0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 405 1.378 -13.691 -1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 405 -0.141 -15.434 -0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 405 -0.740 -14.613 0.433 1.00 0.00 H new ATOM 1708 N THR A 406 3.609 -14.180 -0.772 1.00 0.00 N ATOM 1709 CA THR A 406 4.839 -14.917 -1.185 1.00 0.00 C ATOM 1710 C THR A 406 6.049 -13.977 -1.117 1.00 0.00 C ATOM 1711 O THR A 406 6.903 -14.116 -0.261 1.00 0.00 O ATOM 1712 CB THR A 406 4.569 -15.368 -2.625 1.00 0.00 C ATOM 1713 OG1 THR A 406 3.426 -16.210 -2.645 1.00 0.00 O ATOM 1714 CG2 THR A 406 5.779 -16.137 -3.160 1.00 0.00 C ATOM 0 H THR A 406 3.386 -13.363 -1.340 1.00 0.00 H new ATOM 0 HA THR A 406 5.060 -15.766 -0.539 1.00 0.00 H new ATOM 0 HB THR A 406 4.393 -14.494 -3.253 1.00 0.00 H new ATOM 0 HG1 THR A 406 3.249 -16.499 -3.564 1.00 0.00 H new ATOM 0 HG21 THR A 406 5.584 -16.456 -4.184 1.00 0.00 H new ATOM 0 HG22 THR A 406 6.657 -15.492 -3.142 1.00 0.00 H new ATOM 0 HG23 THR A 406 5.959 -17.012 -2.535 1.00 0.00 H new ATOM 1722 N GLN A 407 6.124 -13.017 -2.009 1.00 0.00 N ATOM 1723 CA GLN A 407 7.272 -12.056 -2.004 1.00 0.00 C ATOM 1724 C GLN A 407 7.047 -10.960 -3.054 1.00 0.00 C ATOM 1725 O GLN A 407 7.767 -10.868 -4.032 1.00 0.00 O ATOM 1726 CB GLN A 407 8.508 -12.891 -2.360 1.00 0.00 C ATOM 1727 CG GLN A 407 9.769 -12.157 -1.899 1.00 0.00 C ATOM 1728 CD GLN A 407 10.984 -13.072 -2.072 1.00 0.00 C ATOM 1729 OE1 GLN A 407 11.914 -12.739 -2.779 1.00 0.00 O ATOM 1730 NE2 GLN A 407 11.014 -14.219 -1.452 1.00 0.00 N ATOM 0 H GLN A 407 5.435 -12.858 -2.744 1.00 0.00 H new ATOM 0 HA GLN A 407 7.385 -11.561 -1.039 1.00 0.00 H new ATOM 0 HB2 GLN A 407 8.449 -13.869 -1.883 1.00 0.00 H new ATOM 0 HB3 GLN A 407 8.547 -13.063 -3.436 1.00 0.00 H new ATOM 0 HG2 GLN A 407 9.903 -11.243 -2.478 1.00 0.00 H new ATOM 0 HG3 GLN A 407 9.669 -11.861 -0.855 1.00 0.00 H new ATOM 0 HE21 GLN A 407 10.233 -14.498 -0.858 1.00 0.00 H new ATOM 0 HE22 GLN A 407 11.818 -14.837 -1.561 1.00 0.00 H new ATOM 1739 N LYS A 408 6.051 -10.129 -2.860 1.00 0.00 N ATOM 1740 CA LYS A 408 5.778 -9.038 -3.850 1.00 0.00 C ATOM 1741 C LYS A 408 5.157 -7.818 -3.168 1.00 0.00 C ATOM 1742 O LYS A 408 4.867 -7.831 -1.986 1.00 0.00 O ATOM 1743 CB LYS A 408 4.796 -9.629 -4.869 1.00 0.00 C ATOM 1744 CG LYS A 408 3.572 -10.216 -4.159 1.00 0.00 C ATOM 1745 CD LYS A 408 2.529 -10.628 -5.204 1.00 0.00 C ATOM 1746 CE LYS A 408 3.076 -11.780 -6.058 1.00 0.00 C ATOM 1747 NZ LYS A 408 2.251 -12.964 -5.687 1.00 0.00 N ATOM 0 H LYS A 408 5.417 -10.158 -2.062 1.00 0.00 H new ATOM 0 HA LYS A 408 6.701 -8.701 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 408 4.481 -8.856 -5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 408 5.292 -10.405 -5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 408 3.864 -11.079 -3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 408 3.147 -9.482 -3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 408 1.607 -10.935 -4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 408 2.282 -9.778 -5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 408 2.990 -11.557 -7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 408 4.132 -11.956 -5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 2.567 -13.792 -6.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 2.358 -13.157 -4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 1.251 -12.771 -5.900 1.00 0.00 H new ATOM 1761 N CYS A 409 4.953 -6.763 -3.916 1.00 0.00 N ATOM 1762 CA CYS A 409 4.350 -5.525 -3.339 1.00 0.00 C ATOM 1763 C CYS A 409 3.247 -5.004 -4.265 1.00 0.00 C ATOM 1764 O CYS A 409 2.971 -5.586 -5.298 1.00 0.00 O ATOM 1765 CB CYS A 409 5.497 -4.513 -3.258 1.00 0.00 C ATOM 1766 SG CYS A 409 6.816 -5.154 -2.196 1.00 0.00 S ATOM 0 H CYS A 409 5.180 -6.707 -4.909 1.00 0.00 H new ATOM 0 HA CYS A 409 3.900 -5.704 -2.362 1.00 0.00 H new ATOM 0 HB2 CYS A 409 5.887 -4.313 -4.256 1.00 0.00 H new ATOM 0 HB3 CYS A 409 5.130 -3.566 -2.864 1.00 0.00 H new ATOM 1771 N GLU A 410 2.620 -3.914 -3.904 1.00 0.00 N ATOM 1772 CA GLU A 410 1.535 -3.350 -4.761 1.00 0.00 C ATOM 1773 C GLU A 410 1.641 -1.822 -4.811 1.00 0.00 C ATOM 1774 O GLU A 410 2.006 -1.189 -3.841 1.00 0.00 O ATOM 1775 CB GLU A 410 0.233 -3.773 -4.081 1.00 0.00 C ATOM 1776 CG GLU A 410 -0.223 -5.121 -4.646 1.00 0.00 C ATOM 1777 CD GLU A 410 -1.429 -5.626 -3.850 1.00 0.00 C ATOM 1778 OE1 GLU A 410 -2.315 -4.829 -3.586 1.00 0.00 O ATOM 1779 OE2 GLU A 410 -1.446 -6.799 -3.519 1.00 0.00 O ATOM 0 H GLU A 410 2.813 -3.389 -3.051 1.00 0.00 H new ATOM 0 HA GLU A 410 1.593 -3.707 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 410 0.381 -3.849 -3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -0.537 -3.019 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -0.487 -5.016 -5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 410 0.591 -5.844 -4.592 1.00 0.00 H new ATOM 1786 N ILE A 411 1.326 -1.232 -5.938 1.00 0.00 N ATOM 1787 CA ILE A 411 1.406 0.257 -6.060 1.00 0.00 C ATOM 1788 C ILE A 411 0.213 0.779 -6.870 1.00 0.00 C ATOM 1789 O ILE A 411 -0.127 0.237 -7.906 1.00 0.00 O ATOM 1790 CB ILE A 411 2.720 0.531 -6.803 1.00 0.00 C ATOM 1791 CG1 ILE A 411 3.898 -0.035 -6.000 1.00 0.00 C ATOM 1792 CG2 ILE A 411 2.906 2.042 -6.975 1.00 0.00 C ATOM 1793 CD1 ILE A 411 4.288 -1.407 -6.554 1.00 0.00 C ATOM 0 H ILE A 411 1.017 -1.718 -6.780 1.00 0.00 H new ATOM 0 HA ILE A 411 1.380 0.753 -5.090 1.00 0.00 H new ATOM 0 HB ILE A 411 2.684 0.052 -7.781 1.00 0.00 H new ATOM 0 HG12 ILE A 411 4.748 0.645 -6.055 1.00 0.00 H new ATOM 0 HG13 ILE A 411 3.626 -0.121 -4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 411 3.840 2.236 -7.503 1.00 0.00 H new ATOM 0 HG22 ILE A 411 2.073 2.448 -7.549 1.00 0.00 H new ATOM 0 HG23 ILE A 411 2.937 2.519 -5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 411 5.125 -1.806 -5.981 1.00 0.00 H new ATOM 0 HD12 ILE A 411 3.439 -2.086 -6.476 1.00 0.00 H new ATOM 0 HD13 ILE A 411 4.578 -1.308 -7.600 1.00 0.00 H new ATOM 1805 N PHE A 412 -0.419 1.832 -6.409 1.00 0.00 N ATOM 1806 CA PHE A 412 -1.587 2.395 -7.154 1.00 0.00 C ATOM 1807 C PHE A 412 -1.975 3.766 -6.583 1.00 0.00 C ATOM 1808 O PHE A 412 -1.756 4.787 -7.208 1.00 0.00 O ATOM 1809 CB PHE A 412 -2.716 1.377 -6.961 1.00 0.00 C ATOM 1810 CG PHE A 412 -3.955 1.837 -7.699 1.00 0.00 C ATOM 1811 CD1 PHE A 412 -3.880 2.170 -9.057 1.00 0.00 C ATOM 1812 CD2 PHE A 412 -5.178 1.927 -7.023 1.00 0.00 C ATOM 1813 CE1 PHE A 412 -5.027 2.593 -9.739 1.00 0.00 C ATOM 1814 CE2 PHE A 412 -6.325 2.350 -7.705 1.00 0.00 C ATOM 1815 CZ PHE A 412 -6.249 2.683 -9.062 1.00 0.00 C ATOM 0 H PHE A 412 -0.176 2.325 -5.550 1.00 0.00 H new ATOM 0 HA PHE A 412 -1.366 2.552 -8.210 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -2.404 0.400 -7.330 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -2.936 1.261 -5.900 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -2.937 2.100 -9.579 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -5.236 1.670 -5.976 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -4.969 2.850 -10.786 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -7.268 2.419 -7.184 1.00 0.00 H new ATOM 0 HZ PHE A 412 -7.134 3.010 -9.588 1.00 0.00 H new ATOM 1825 N ASN A 413 -2.552 3.797 -5.406 1.00 0.00 N ATOM 1826 CA ASN A 413 -2.961 5.101 -4.798 1.00 0.00 C ATOM 1827 C ASN A 413 -3.343 4.899 -3.321 1.00 0.00 C ATOM 1828 O ASN A 413 -2.813 4.031 -2.654 1.00 0.00 O ATOM 1829 CB ASN A 413 -4.162 5.564 -5.639 1.00 0.00 C ATOM 1830 CG ASN A 413 -5.321 4.564 -5.516 1.00 0.00 C ATOM 1831 OD1 ASN A 413 -5.224 3.580 -4.810 1.00 0.00 O ATOM 1832 ND2 ASN A 413 -6.422 4.780 -6.182 1.00 0.00 N ATOM 0 H ASN A 413 -2.757 2.974 -4.840 1.00 0.00 H new ATOM 0 HA ASN A 413 -2.162 5.843 -4.805 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -4.488 6.550 -5.307 1.00 0.00 H new ATOM 0 HB3 ASN A 413 -3.866 5.661 -6.684 1.00 0.00 H new ATOM 0 HD21 ASN A 413 -7.199 4.123 -6.109 1.00 0.00 H new ATOM 0 HD22 ASN A 413 -6.506 5.605 -6.775 1.00 0.00 H new ATOM 1839 N VAL A 414 -4.255 5.693 -2.804 1.00 0.00 N ATOM 1840 CA VAL A 414 -4.670 5.548 -1.368 1.00 0.00 C ATOM 1841 C VAL A 414 -5.060 4.093 -1.057 1.00 0.00 C ATOM 1842 O VAL A 414 -5.227 3.283 -1.948 1.00 0.00 O ATOM 1843 CB VAL A 414 -5.875 6.488 -1.206 1.00 0.00 C ATOM 1844 CG1 VAL A 414 -6.998 6.069 -2.159 1.00 0.00 C ATOM 1845 CG2 VAL A 414 -6.386 6.430 0.238 1.00 0.00 C ATOM 0 H VAL A 414 -4.731 6.436 -3.316 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.863 5.800 -0.680 1.00 0.00 H new ATOM 0 HB VAL A 414 -5.563 7.505 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -7.848 6.741 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -6.640 6.119 -3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -7.306 5.049 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -7.240 7.098 0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -6.689 5.410 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -5.592 6.740 0.918 1.00 0.00 H new ATOM 1855 N LYS A 415 -5.196 3.764 0.204 1.00 0.00 N ATOM 1856 CA LYS A 415 -5.567 2.365 0.582 1.00 0.00 C ATOM 1857 C LYS A 415 -7.018 2.308 1.098 1.00 0.00 C ATOM 1858 O LYS A 415 -7.246 2.300 2.292 1.00 0.00 O ATOM 1859 CB LYS A 415 -4.579 1.972 1.690 1.00 0.00 C ATOM 1860 CG LYS A 415 -4.679 2.953 2.872 1.00 0.00 C ATOM 1861 CD LYS A 415 -5.005 2.187 4.160 1.00 0.00 C ATOM 1862 CE LYS A 415 -5.977 3.005 5.015 1.00 0.00 C ATOM 1863 NZ LYS A 415 -5.213 4.222 5.409 1.00 0.00 N ATOM 0 H LYS A 415 -5.066 4.404 0.988 1.00 0.00 H new ATOM 0 HA LYS A 415 -5.514 1.685 -0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 415 -4.790 0.959 2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 415 -3.563 1.970 1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 415 -3.739 3.493 2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 415 -5.452 3.696 2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 415 -5.444 1.219 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 415 -4.090 1.991 4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 415 -6.873 3.266 4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 415 -6.302 2.443 5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 -5.657 4.656 6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 -4.233 3.958 5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 -5.215 4.903 4.623 1.00 0.00 H new ATOM 1877 N PRO A 416 -7.963 2.261 0.183 1.00 0.00 N ATOM 1878 CA PRO A 416 -9.389 2.197 0.587 1.00 0.00 C ATOM 1879 C PRO A 416 -9.713 0.813 1.157 1.00 0.00 C ATOM 1880 O PRO A 416 -9.149 -0.183 0.743 1.00 0.00 O ATOM 1881 CB PRO A 416 -10.146 2.442 -0.715 1.00 0.00 C ATOM 1882 CG PRO A 416 -9.204 2.023 -1.797 1.00 0.00 C ATOM 1883 CD PRO A 416 -7.808 2.262 -1.283 1.00 0.00 C ATOM 0 HA PRO A 416 -9.650 2.917 1.362 1.00 0.00 H new ATOM 0 HB2 PRO A 416 -11.069 1.863 -0.750 1.00 0.00 H new ATOM 0 HB3 PRO A 416 -10.424 3.491 -0.818 1.00 0.00 H new ATOM 0 HG2 PRO A 416 -9.348 0.972 -2.048 1.00 0.00 H new ATOM 0 HG3 PRO A 416 -9.383 2.595 -2.707 1.00 0.00 H new ATOM 0 HD2 PRO A 416 -7.122 1.481 -1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 416 -7.407 3.210 -1.641 1.00 0.00 H new ATOM 1891 N THR A 417 -10.618 0.746 2.102 1.00 0.00 N ATOM 1892 CA THR A 417 -10.982 -0.576 2.705 1.00 0.00 C ATOM 1893 C THR A 417 -11.507 -1.526 1.623 1.00 0.00 C ATOM 1894 O THR A 417 -12.672 -1.501 1.276 1.00 0.00 O ATOM 1895 CB THR A 417 -12.081 -0.265 3.724 1.00 0.00 C ATOM 1896 OG1 THR A 417 -11.716 0.885 4.474 1.00 0.00 O ATOM 1897 CG2 THR A 417 -12.257 -1.456 4.666 1.00 0.00 C ATOM 0 H THR A 417 -11.121 1.548 2.482 1.00 0.00 H new ATOM 0 HA THR A 417 -10.125 -1.064 3.169 1.00 0.00 H new ATOM 0 HB THR A 417 -13.019 -0.076 3.202 1.00 0.00 H new ATOM 0 HG1 THR A 417 -12.219 1.661 4.149 1.00 0.00 H new ATOM 0 HG21 THR A 417 -13.040 -1.234 5.391 1.00 0.00 H new ATOM 0 HG22 THR A 417 -12.536 -2.338 4.089 1.00 0.00 H new ATOM 0 HG23 THR A 417 -11.320 -1.647 5.190 1.00 0.00 H new ATOM 1905 N CYS A 418 -10.649 -2.359 1.090 1.00 0.00 N ATOM 1906 CA CYS A 418 -11.084 -3.313 0.027 1.00 0.00 C ATOM 1907 C CYS A 418 -10.632 -4.735 0.376 1.00 0.00 C ATOM 1908 O CYS A 418 -9.746 -4.932 1.185 1.00 0.00 O ATOM 1909 CB CYS A 418 -10.390 -2.819 -1.244 1.00 0.00 C ATOM 1910 SG CYS A 418 -10.896 -3.837 -2.652 1.00 0.00 S ATOM 0 H CYS A 418 -9.664 -2.419 1.347 1.00 0.00 H new ATOM 0 HA CYS A 418 -12.167 -3.348 -0.087 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -10.646 -1.775 -1.427 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -9.308 -2.865 -1.120 1.00 0.00 H new ATOM 1915 N LEU A 419 -11.241 -5.726 -0.228 1.00 0.00 N ATOM 1916 CA LEU A 419 -10.856 -7.141 0.066 1.00 0.00 C ATOM 1917 C LEU A 419 -9.588 -7.542 -0.708 1.00 0.00 C ATOM 1918 O LEU A 419 -9.126 -8.664 -0.600 1.00 0.00 O ATOM 1919 CB LEU A 419 -12.051 -7.992 -0.389 1.00 0.00 C ATOM 1920 CG LEU A 419 -13.338 -7.541 0.322 1.00 0.00 C ATOM 1921 CD1 LEU A 419 -14.496 -8.445 -0.108 1.00 0.00 C ATOM 1922 CD2 LEU A 419 -13.164 -7.643 1.843 1.00 0.00 C ATOM 0 H LEU A 419 -11.989 -5.616 -0.913 1.00 0.00 H new ATOM 0 HA LEU A 419 -10.632 -7.281 1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 419 -12.176 -7.906 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 419 -11.859 -9.043 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 419 -13.549 -6.506 0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 419 -15.410 -8.129 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 419 -14.631 -8.374 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 419 -14.272 -9.477 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 419 -14.081 -7.321 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 419 -12.948 -8.676 2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 419 -12.339 -7.004 2.158 1.00 0.00 H new ATOM 1934 N ILE A 420 -9.017 -6.644 -1.478 1.00 0.00 N ATOM 1935 CA ILE A 420 -7.779 -6.982 -2.244 1.00 0.00 C ATOM 1936 C ILE A 420 -6.569 -6.283 -1.610 1.00 0.00 C ATOM 1937 O ILE A 420 -5.451 -6.750 -1.711 1.00 0.00 O ATOM 1938 CB ILE A 420 -8.026 -6.456 -3.664 1.00 0.00 C ATOM 1939 CG1 ILE A 420 -9.245 -7.158 -4.271 1.00 0.00 C ATOM 1940 CG2 ILE A 420 -6.801 -6.736 -4.540 1.00 0.00 C ATOM 1941 CD1 ILE A 420 -9.949 -6.209 -5.243 1.00 0.00 C ATOM 0 H ILE A 420 -9.357 -5.691 -1.607 1.00 0.00 H new ATOM 0 HA ILE A 420 -7.569 -8.052 -2.244 1.00 0.00 H new ATOM 0 HB ILE A 420 -8.206 -5.382 -3.618 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -8.934 -8.064 -4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -9.932 -7.463 -3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -6.981 -6.361 -5.547 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -5.929 -6.237 -4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -6.620 -7.810 -4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -10.816 -6.708 -5.675 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -10.273 -5.316 -4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -9.260 -5.926 -6.039 1.00 0.00 H new ATOM 1953 N ASN A 421 -6.790 -5.167 -0.960 1.00 0.00 N ATOM 1954 CA ASN A 421 -5.660 -4.430 -0.318 1.00 0.00 C ATOM 1955 C ASN A 421 -5.299 -5.081 1.022 1.00 0.00 C ATOM 1956 O ASN A 421 -6.162 -5.491 1.774 1.00 0.00 O ATOM 1957 CB ASN A 421 -6.187 -3.006 -0.103 1.00 0.00 C ATOM 1958 CG ASN A 421 -5.104 -2.143 0.549 1.00 0.00 C ATOM 1959 OD1 ASN A 421 -5.378 -1.393 1.465 1.00 0.00 O ATOM 1960 ND2 ASN A 421 -3.876 -2.217 0.113 1.00 0.00 N ATOM 0 H ASN A 421 -7.707 -4.734 -0.847 1.00 0.00 H new ATOM 0 HA ASN A 421 -4.757 -4.441 -0.929 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -6.485 -2.571 -1.057 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -7.075 -3.029 0.528 1.00 0.00 H new ATOM 0 HD21 ASN A 421 -3.148 -1.646 0.541 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -3.645 -2.846 -0.656 1.00 0.00 H new ATOM 1967 N ASN A 422 -4.028 -5.177 1.317 1.00 0.00 N ATOM 1968 CA ASN A 422 -3.597 -5.799 2.605 1.00 0.00 C ATOM 1969 C ASN A 422 -2.900 -4.760 3.488 1.00 0.00 C ATOM 1970 O ASN A 422 -3.377 -4.421 4.555 1.00 0.00 O ATOM 1971 CB ASN A 422 -2.619 -6.904 2.203 1.00 0.00 C ATOM 1972 CG ASN A 422 -2.778 -8.096 3.149 1.00 0.00 C ATOM 1973 OD1 ASN A 422 -3.412 -9.075 2.810 1.00 0.00 O ATOM 1974 ND2 ASN A 422 -2.224 -8.054 4.329 1.00 0.00 N ATOM 0 H ASN A 422 -3.268 -4.851 0.720 1.00 0.00 H new ATOM 0 HA ASN A 422 -4.439 -6.188 3.178 1.00 0.00 H new ATOM 0 HB2 ASN A 422 -2.807 -7.214 1.175 1.00 0.00 H new ATOM 0 HB3 ASN A 422 -1.596 -6.530 2.241 1.00 0.00 H new ATOM 0 HD21 ASN A 422 -2.323 -8.843 4.967 1.00 0.00 H new ATOM 0 HD22 ASN A 422 -1.692 -7.232 4.613 1.00 0.00 H new ATOM 1981 N SER A 423 -1.776 -4.253 3.048 1.00 0.00 N ATOM 1982 CA SER A 423 -1.039 -3.233 3.857 1.00 0.00 C ATOM 1983 C SER A 423 -0.804 -1.972 3.022 1.00 0.00 C ATOM 1984 O SER A 423 -0.868 -2.003 1.808 1.00 0.00 O ATOM 1985 CB SER A 423 0.298 -3.884 4.223 1.00 0.00 C ATOM 1986 OG SER A 423 0.117 -5.282 4.411 1.00 0.00 O ATOM 0 H SER A 423 -1.336 -4.501 2.162 1.00 0.00 H new ATOM 0 HA SER A 423 -1.598 -2.937 4.744 1.00 0.00 H new ATOM 0 HB2 SER A 423 1.028 -3.705 3.434 1.00 0.00 H new ATOM 0 HB3 SER A 423 0.695 -3.434 5.133 1.00 0.00 H new ATOM 0 HG SER A 423 0.137 -5.734 3.542 1.00 0.00 H new ATOM 1992 N SER A 424 -0.529 -0.865 3.666 1.00 0.00 N ATOM 1993 CA SER A 424 -0.286 0.405 2.916 1.00 0.00 C ATOM 1994 C SER A 424 0.267 1.478 3.857 1.00 0.00 C ATOM 1995 O SER A 424 -0.165 1.605 4.988 1.00 0.00 O ATOM 1996 CB SER A 424 -1.656 0.820 2.378 1.00 0.00 C ATOM 1997 OG SER A 424 -2.559 0.970 3.465 1.00 0.00 O ATOM 0 H SER A 424 -0.462 -0.786 4.681 1.00 0.00 H new ATOM 0 HA SER A 424 0.443 0.277 2.116 1.00 0.00 H new ATOM 0 HB2 SER A 424 -1.575 1.756 1.825 1.00 0.00 H new ATOM 0 HB3 SER A 424 -2.029 0.070 1.681 1.00 0.00 H new ATOM 0 HG SER A 424 -3.223 0.249 3.441 1.00 0.00 H new ATOM 2003 N TYR A 425 1.219 2.249 3.397 1.00 0.00 N ATOM 2004 CA TYR A 425 1.808 3.321 4.260 1.00 0.00 C ATOM 2005 C TYR A 425 2.702 4.243 3.428 1.00 0.00 C ATOM 2006 O TYR A 425 3.214 3.858 2.394 1.00 0.00 O ATOM 2007 CB TYR A 425 2.634 2.590 5.328 1.00 0.00 C ATOM 2008 CG TYR A 425 3.637 1.658 4.681 1.00 0.00 C ATOM 2009 CD1 TYR A 425 4.835 2.161 4.155 1.00 0.00 C ATOM 2010 CD2 TYR A 425 3.367 0.285 4.616 1.00 0.00 C ATOM 2011 CE1 TYR A 425 5.759 1.287 3.565 1.00 0.00 C ATOM 2012 CE2 TYR A 425 4.290 -0.585 4.026 1.00 0.00 C ATOM 2013 CZ TYR A 425 5.487 -0.084 3.500 1.00 0.00 C ATOM 2014 OH TYR A 425 6.398 -0.942 2.920 1.00 0.00 O ATOM 0 H TYR A 425 1.616 2.183 2.460 1.00 0.00 H new ATOM 0 HA TYR A 425 1.036 3.946 4.710 1.00 0.00 H new ATOM 0 HB2 TYR A 425 3.154 3.316 5.953 1.00 0.00 H new ATOM 0 HB3 TYR A 425 1.972 2.023 5.982 1.00 0.00 H new ATOM 0 HD1 TYR A 425 5.046 3.219 4.204 1.00 0.00 H new ATOM 0 HD2 TYR A 425 2.444 -0.103 5.022 1.00 0.00 H new ATOM 0 HE1 TYR A 425 6.683 1.673 3.160 1.00 0.00 H new ATOM 0 HE2 TYR A 425 4.079 -1.643 3.976 1.00 0.00 H new ATOM 0 HH TYR A 425 6.165 -1.078 1.978 1.00 0.00 H new ATOM 2024 N ILE A 426 2.889 5.459 3.877 1.00 0.00 N ATOM 2025 CA ILE A 426 3.749 6.421 3.124 1.00 0.00 C ATOM 2026 C ILE A 426 4.616 7.223 4.102 1.00 0.00 C ATOM 2027 O ILE A 426 4.135 8.106 4.788 1.00 0.00 O ATOM 2028 CB ILE A 426 2.769 7.341 2.385 1.00 0.00 C ATOM 2029 CG1 ILE A 426 1.892 6.510 1.438 1.00 0.00 C ATOM 2030 CG2 ILE A 426 3.549 8.379 1.572 1.00 0.00 C ATOM 2031 CD1 ILE A 426 0.546 6.219 2.105 1.00 0.00 C ATOM 0 H ILE A 426 2.481 5.828 4.736 1.00 0.00 H new ATOM 0 HA ILE A 426 4.428 5.920 2.434 1.00 0.00 H new ATOM 0 HB ILE A 426 2.137 7.849 3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 426 1.737 7.049 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 426 2.394 5.576 1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 426 2.850 9.031 1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 426 4.169 8.975 2.242 1.00 0.00 H new ATOM 0 HG23 ILE A 426 4.184 7.871 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 426 -0.074 5.629 1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 426 0.710 5.662 3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 426 0.042 7.158 2.333 1.00 0.00 H new ATOM 2043 N ALA A 427 5.887 6.921 4.165 1.00 0.00 N ATOM 2044 CA ALA A 427 6.794 7.660 5.094 1.00 0.00 C ATOM 2045 C ALA A 427 8.256 7.350 4.759 1.00 0.00 C ATOM 2046 O ALA A 427 8.732 6.253 4.979 1.00 0.00 O ATOM 2047 CB ALA A 427 6.442 7.142 6.490 1.00 0.00 C ATOM 0 H ALA A 427 6.337 6.192 3.611 1.00 0.00 H new ATOM 0 HA ALA A 427 6.672 8.741 5.019 1.00 0.00 H new ATOM 0 HB1 ALA A 427 7.068 7.639 7.231 1.00 0.00 H new ATOM 0 HB2 ALA A 427 5.393 7.351 6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 427 6.613 6.066 6.533 1.00 0.00 H new