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 403 ASN : amide:sc= -1.95 K(o=-1.9,f=0.78) USER MOD Set 1.2: A 422 ASN : amide:sc= -1.89 K(o=-1.9,f=0.28) USER MOD Set 1.3: A 423 SER OG : rot 86:sc= 1.94 USER MOD Set 2.1: A 401 ASN : amide:sc= -0.719 K(o=0.053,f=-3.6!) USER MOD Set 2.2: A 421 ASN : amide:sc=-0.00554 X(o=0.053,f=-0.21) USER MOD Set 2.3: A 424 SER OG : rot -42:sc= 0.777 USER MOD Set 3.1: A 398 ASN : amide:sc= 0.775 K(o=0.94,f=-2.3!) USER MOD Set 3.2: A 402 TYR OH : rot 0:sc= 0.168 USER MOD Single : A 325 HIS : no HD1:sc= -0.0348 X(o=-0.035,f=-0.042) USER MOD Single : A 327 ASN : amide:sc= -0.0361 K(o=-0.036,f=-1.5!) USER MOD Single : A 338 ASN : amide:sc= -1.1 X(o=-1.1,f=-0.99!) USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 THR OG1 : rot -110:sc= -0.093 USER MOD Single : A 406 THR OG1 : rot 180:sc= 0.258 USER MOD Single : A 407 GLN : amide:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : A 408 LYS NZ :NH3+ -159:sc= -0.624 (180deg=-1.35) USER MOD Single : A 413 ASN : amide:sc= -5.5! C(o=-5.5!,f=-3.9!) USER MOD Single : A 415 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.0166) USER MOD Single : A 417 THR OG1 : rot -41:sc= 1.15 USER MOD Single : A 425 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 347 N CYS A 320 -15.383 7.104 -6.252 1.00 0.00 N ATOM 348 CA CYS A 320 -14.415 6.184 -6.921 1.00 0.00 C ATOM 349 C CYS A 320 -15.155 5.107 -7.718 1.00 0.00 C ATOM 350 O CYS A 320 -15.547 4.088 -7.183 1.00 0.00 O ATOM 351 CB CYS A 320 -13.618 5.549 -5.780 1.00 0.00 C ATOM 352 SG CYS A 320 -12.098 4.819 -6.439 1.00 0.00 S ATOM 0 HA CYS A 320 -13.774 6.712 -7.627 1.00 0.00 H new ATOM 0 HB2 CYS A 320 -13.377 6.301 -5.028 1.00 0.00 H new ATOM 0 HB3 CYS A 320 -14.217 4.784 -5.286 1.00 0.00 H new ATOM 357 N GLU A 321 -15.338 5.327 -8.994 1.00 0.00 N ATOM 358 CA GLU A 321 -16.043 4.315 -9.840 1.00 0.00 C ATOM 359 C GLU A 321 -15.189 3.971 -11.065 1.00 0.00 C ATOM 360 O GLU A 321 -15.302 4.584 -12.109 1.00 0.00 O ATOM 361 CB GLU A 321 -17.363 4.979 -10.262 1.00 0.00 C ATOM 362 CG GLU A 321 -17.087 6.315 -10.972 1.00 0.00 C ATOM 363 CD GLU A 321 -17.640 7.475 -10.137 1.00 0.00 C ATOM 364 OE1 GLU A 321 -18.818 7.442 -9.821 1.00 0.00 O ATOM 365 OE2 GLU A 321 -16.876 8.373 -9.829 1.00 0.00 O ATOM 0 H GLU A 321 -15.030 6.164 -9.488 1.00 0.00 H new ATOM 0 HA GLU A 321 -16.222 3.383 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -17.916 4.314 -10.926 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -17.989 5.148 -9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -16.015 6.442 -11.122 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -17.549 6.314 -11.959 1.00 0.00 H new ATOM 372 N ASP A 322 -14.332 2.988 -10.937 1.00 0.00 N ATOM 373 CA ASP A 322 -13.455 2.586 -12.084 1.00 0.00 C ATOM 374 C ASP A 322 -12.670 1.320 -11.724 1.00 0.00 C ATOM 375 O ASP A 322 -12.472 0.447 -12.547 1.00 0.00 O ATOM 376 CB ASP A 322 -12.498 3.769 -12.302 1.00 0.00 C ATOM 377 CG ASP A 322 -12.730 4.379 -13.688 1.00 0.00 C ATOM 378 OD1 ASP A 322 -13.864 4.359 -14.139 1.00 0.00 O ATOM 379 OD2 ASP A 322 -11.771 4.855 -14.273 1.00 0.00 O ATOM 0 H ASP A 322 -14.201 2.444 -10.084 1.00 0.00 H new ATOM 0 HA ASP A 322 -14.031 2.364 -12.983 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -12.657 4.524 -11.532 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -11.465 3.434 -12.211 1.00 0.00 H new ATOM 384 N ILE A 323 -12.218 1.218 -10.495 1.00 0.00 N ATOM 385 CA ILE A 323 -11.436 0.015 -10.057 1.00 0.00 C ATOM 386 C ILE A 323 -10.217 -0.196 -10.974 1.00 0.00 C ATOM 387 O ILE A 323 -10.203 -1.111 -11.775 1.00 0.00 O ATOM 388 CB ILE A 323 -12.403 -1.175 -10.151 1.00 0.00 C ATOM 389 CG1 ILE A 323 -13.630 -0.912 -9.274 1.00 0.00 C ATOM 390 CG2 ILE A 323 -11.700 -2.444 -9.666 1.00 0.00 C ATOM 391 CD1 ILE A 323 -14.668 -2.011 -9.507 1.00 0.00 C ATOM 0 H ILE A 323 -12.359 1.922 -9.771 1.00 0.00 H new ATOM 0 HA ILE A 323 -11.052 0.132 -9.044 1.00 0.00 H new ATOM 0 HB ILE A 323 -12.716 -1.302 -11.187 1.00 0.00 H new ATOM 0 HG12 ILE A 323 -13.341 -0.887 -8.223 1.00 0.00 H new ATOM 0 HG13 ILE A 323 -14.057 0.063 -9.510 1.00 0.00 H new ATOM 0 HG21 ILE A 323 -12.386 -3.288 -9.733 1.00 0.00 H new ATOM 0 HG22 ILE A 323 -10.826 -2.636 -10.289 1.00 0.00 H new ATOM 0 HG23 ILE A 323 -11.386 -2.313 -8.631 1.00 0.00 H new ATOM 0 HD11 ILE A 323 -15.542 -1.824 -8.883 1.00 0.00 H new ATOM 0 HD12 ILE A 323 -14.965 -2.014 -10.556 1.00 0.00 H new ATOM 0 HD13 ILE A 323 -14.238 -2.979 -9.249 1.00 0.00 H new ATOM 403 N PRO A 324 -9.225 0.657 -10.831 1.00 0.00 N ATOM 404 CA PRO A 324 -8.004 0.537 -11.668 1.00 0.00 C ATOM 405 C PRO A 324 -7.167 -0.667 -11.220 1.00 0.00 C ATOM 406 O PRO A 324 -7.639 -1.524 -10.496 1.00 0.00 O ATOM 407 CB PRO A 324 -7.258 1.844 -11.408 1.00 0.00 C ATOM 408 CG PRO A 324 -7.731 2.299 -10.065 1.00 0.00 C ATOM 409 CD PRO A 324 -9.140 1.796 -9.899 1.00 0.00 C ATOM 0 HA PRO A 324 -8.223 0.381 -12.724 1.00 0.00 H new ATOM 0 HB2 PRO A 324 -6.179 1.691 -11.415 1.00 0.00 H new ATOM 0 HB3 PRO A 324 -7.480 2.585 -12.176 1.00 0.00 H new ATOM 0 HG2 PRO A 324 -7.087 1.908 -9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 324 -7.699 3.386 -9.993 1.00 0.00 H new ATOM 0 HD2 PRO A 324 -9.335 1.487 -8.872 1.00 0.00 H new ATOM 0 HD3 PRO A 324 -9.870 2.567 -10.144 1.00 0.00 H new ATOM 417 N HIS A 325 -5.932 -0.735 -11.649 1.00 0.00 N ATOM 418 CA HIS A 325 -5.059 -1.881 -11.253 1.00 0.00 C ATOM 419 C HIS A 325 -3.699 -1.371 -10.766 1.00 0.00 C ATOM 420 O HIS A 325 -3.088 -0.521 -11.386 1.00 0.00 O ATOM 421 CB HIS A 325 -4.894 -2.710 -12.526 1.00 0.00 C ATOM 422 CG HIS A 325 -6.208 -3.353 -12.880 1.00 0.00 C ATOM 423 ND1 HIS A 325 -6.966 -2.937 -13.963 1.00 0.00 N ATOM 424 CD2 HIS A 325 -6.910 -4.382 -12.303 1.00 0.00 C ATOM 425 CE1 HIS A 325 -8.069 -3.706 -14.004 1.00 0.00 C ATOM 426 NE2 HIS A 325 -8.085 -4.604 -13.014 1.00 0.00 N ATOM 0 H HIS A 325 -5.490 -0.045 -12.257 1.00 0.00 H new ATOM 0 HA HIS A 325 -5.489 -2.463 -10.438 1.00 0.00 H new ATOM 0 HB2 HIS A 325 -4.555 -2.075 -13.345 1.00 0.00 H new ATOM 0 HB3 HIS A 325 -4.131 -3.474 -12.379 1.00 0.00 H new ATOM 0 HD2 HIS A 325 -6.598 -4.935 -11.430 1.00 0.00 H new ATOM 0 HE1 HIS A 325 -8.847 -3.610 -14.747 1.00 0.00 H new ATOM 0 HE2 HIS A 325 -8.804 -5.302 -12.821 1.00 0.00 H new ATOM 434 N VAL A 326 -3.226 -1.888 -9.661 1.00 0.00 N ATOM 435 CA VAL A 326 -1.904 -1.442 -9.123 1.00 0.00 C ATOM 436 C VAL A 326 -0.765 -2.141 -9.877 1.00 0.00 C ATOM 437 O VAL A 326 -0.968 -3.158 -10.512 1.00 0.00 O ATOM 438 CB VAL A 326 -1.909 -1.844 -7.639 1.00 0.00 C ATOM 439 CG1 VAL A 326 -3.087 -1.167 -6.927 1.00 0.00 C ATOM 440 CG2 VAL A 326 -2.038 -3.370 -7.504 1.00 0.00 C ATOM 0 H VAL A 326 -3.699 -2.602 -9.106 1.00 0.00 H new ATOM 0 HA VAL A 326 -1.751 -0.370 -9.243 1.00 0.00 H new ATOM 0 HB VAL A 326 -0.972 -1.524 -7.183 1.00 0.00 H new ATOM 0 HG11 VAL A 326 -3.089 -1.453 -5.875 1.00 0.00 H new ATOM 0 HG12 VAL A 326 -2.988 -0.085 -7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 326 -4.022 -1.482 -7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 326 -2.040 -3.643 -6.449 1.00 0.00 H new ATOM 0 HG22 VAL A 326 -2.969 -3.699 -7.966 1.00 0.00 H new ATOM 0 HG23 VAL A 326 -1.196 -3.852 -8.001 1.00 0.00 H new ATOM 450 N ASN A 327 0.426 -1.602 -9.808 1.00 0.00 N ATOM 451 CA ASN A 327 1.578 -2.234 -10.520 1.00 0.00 C ATOM 452 C ASN A 327 2.258 -3.260 -9.611 1.00 0.00 C ATOM 453 O ASN A 327 2.858 -2.915 -8.611 1.00 0.00 O ATOM 454 CB ASN A 327 2.531 -1.080 -10.835 1.00 0.00 C ATOM 455 CG ASN A 327 1.937 -0.217 -11.951 1.00 0.00 C ATOM 456 OD1 ASN A 327 1.156 -0.692 -12.752 1.00 0.00 O ATOM 457 ND2 ASN A 327 2.278 1.040 -12.039 1.00 0.00 N ATOM 0 H ASN A 327 0.650 -0.752 -9.290 1.00 0.00 H new ATOM 0 HA ASN A 327 1.269 -2.763 -11.422 1.00 0.00 H new ATOM 0 HB2 ASN A 327 2.695 -0.476 -9.942 1.00 0.00 H new ATOM 0 HB3 ASN A 327 3.502 -1.469 -11.140 1.00 0.00 H new ATOM 0 HD21 ASN A 327 1.889 1.623 -12.780 1.00 0.00 H new ATOM 0 HD22 ASN A 327 2.933 1.439 -11.367 1.00 0.00 H new ATOM 464 N GLU A 328 2.164 -4.520 -9.955 1.00 0.00 N ATOM 465 CA GLU A 328 2.798 -5.581 -9.115 1.00 0.00 C ATOM 466 C GLU A 328 4.315 -5.590 -9.327 1.00 0.00 C ATOM 467 O GLU A 328 4.806 -5.177 -10.362 1.00 0.00 O ATOM 468 CB GLU A 328 2.184 -6.897 -9.596 1.00 0.00 C ATOM 469 CG GLU A 328 0.670 -6.869 -9.369 1.00 0.00 C ATOM 470 CD GLU A 328 0.010 -7.975 -10.194 1.00 0.00 C ATOM 471 OE1 GLU A 328 0.007 -9.106 -9.739 1.00 0.00 O ATOM 472 OE2 GLU A 328 -0.483 -7.672 -11.269 1.00 0.00 O ATOM 0 H GLU A 328 1.675 -4.860 -10.783 1.00 0.00 H new ATOM 0 HA GLU A 328 2.625 -5.417 -8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 328 2.401 -7.046 -10.654 1.00 0.00 H new ATOM 0 HB3 GLU A 328 2.627 -7.735 -9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 328 0.448 -7.008 -8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 328 0.267 -5.898 -9.655 1.00 0.00 H new ATOM 479 N PHE A 329 5.054 -6.058 -8.355 1.00 0.00 N ATOM 480 CA PHE A 329 6.541 -6.096 -8.489 1.00 0.00 C ATOM 481 C PHE A 329 7.143 -7.101 -7.490 1.00 0.00 C ATOM 482 O PHE A 329 7.034 -6.907 -6.294 1.00 0.00 O ATOM 483 CB PHE A 329 7.001 -4.677 -8.159 1.00 0.00 C ATOM 484 CG PHE A 329 8.495 -4.572 -8.356 1.00 0.00 C ATOM 485 CD1 PHE A 329 9.060 -4.876 -9.600 1.00 0.00 C ATOM 486 CD2 PHE A 329 9.315 -4.170 -7.294 1.00 0.00 C ATOM 487 CE1 PHE A 329 10.444 -4.779 -9.782 1.00 0.00 C ATOM 488 CE2 PHE A 329 10.699 -4.073 -7.476 1.00 0.00 C ATOM 489 CZ PHE A 329 11.264 -4.379 -8.721 1.00 0.00 C ATOM 0 H PHE A 329 4.691 -6.416 -7.472 1.00 0.00 H new ATOM 0 HA PHE A 329 6.857 -6.410 -9.484 1.00 0.00 H new ATOM 0 HB2 PHE A 329 6.488 -3.959 -8.799 1.00 0.00 H new ATOM 0 HB3 PHE A 329 6.741 -4.429 -7.130 1.00 0.00 H new ATOM 0 HD1 PHE A 329 8.428 -5.185 -10.419 1.00 0.00 H new ATOM 0 HD2 PHE A 329 8.879 -3.935 -6.334 1.00 0.00 H new ATOM 0 HE1 PHE A 329 10.880 -5.013 -10.742 1.00 0.00 H new ATOM 0 HE2 PHE A 329 11.331 -3.762 -6.657 1.00 0.00 H new ATOM 0 HZ PHE A 329 12.332 -4.306 -8.862 1.00 0.00 H new ATOM 499 N PRO A 330 7.769 -8.147 -7.998 1.00 0.00 N ATOM 500 CA PRO A 330 8.384 -9.155 -7.100 1.00 0.00 C ATOM 501 C PRO A 330 9.647 -8.575 -6.455 1.00 0.00 C ATOM 502 O PRO A 330 10.750 -9.013 -6.721 1.00 0.00 O ATOM 503 CB PRO A 330 8.730 -10.312 -8.033 1.00 0.00 C ATOM 504 CG PRO A 330 8.874 -9.690 -9.384 1.00 0.00 C ATOM 505 CD PRO A 330 7.963 -8.492 -9.418 1.00 0.00 C ATOM 0 HA PRO A 330 7.731 -9.463 -6.283 1.00 0.00 H new ATOM 0 HB2 PRO A 330 9.652 -10.805 -7.725 1.00 0.00 H new ATOM 0 HB3 PRO A 330 7.947 -11.070 -8.029 1.00 0.00 H new ATOM 0 HG2 PRO A 330 9.907 -9.393 -9.564 1.00 0.00 H new ATOM 0 HG3 PRO A 330 8.606 -10.400 -10.166 1.00 0.00 H new ATOM 0 HD2 PRO A 330 8.411 -7.666 -9.971 1.00 0.00 H new ATOM 0 HD3 PRO A 330 7.016 -8.725 -9.905 1.00 0.00 H new ATOM 513 N ALA A 331 9.487 -7.584 -5.615 1.00 0.00 N ATOM 514 CA ALA A 331 10.672 -6.953 -4.947 1.00 0.00 C ATOM 515 C ALA A 331 11.515 -8.007 -4.218 1.00 0.00 C ATOM 516 O ALA A 331 11.251 -8.346 -3.080 1.00 0.00 O ATOM 517 CB ALA A 331 10.083 -5.958 -3.945 1.00 0.00 C ATOM 0 H ALA A 331 8.585 -7.182 -5.361 1.00 0.00 H new ATOM 0 HA ALA A 331 11.331 -6.471 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 331 10.891 -5.454 -3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 331 9.482 -5.220 -4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 331 9.456 -6.490 -3.230 1.00 0.00 H new ATOM 523 N ILE A 332 12.529 -8.518 -4.867 1.00 0.00 N ATOM 524 CA ILE A 332 13.402 -9.546 -4.221 1.00 0.00 C ATOM 525 C ILE A 332 14.879 -9.211 -4.457 1.00 0.00 C ATOM 526 O ILE A 332 15.724 -10.086 -4.488 1.00 0.00 O ATOM 527 CB ILE A 332 13.033 -10.875 -4.894 1.00 0.00 C ATOM 528 CG1 ILE A 332 13.254 -10.777 -6.413 1.00 0.00 C ATOM 529 CG2 ILE A 332 11.563 -11.195 -4.612 1.00 0.00 C ATOM 530 CD1 ILE A 332 13.879 -12.076 -6.926 1.00 0.00 C ATOM 0 H ILE A 332 12.792 -8.267 -5.820 1.00 0.00 H new ATOM 0 HA ILE A 332 13.255 -9.588 -3.142 1.00 0.00 H new ATOM 0 HB ILE A 332 13.666 -11.667 -4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 332 12.305 -10.594 -6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 332 13.905 -9.933 -6.642 1.00 0.00 H new ATOM 0 HG21 ILE A 332 11.298 -12.139 -5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 332 11.408 -11.276 -3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 332 10.934 -10.398 -5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 332 14.035 -12.005 -8.002 1.00 0.00 H new ATOM 0 HD12 ILE A 332 14.836 -12.240 -6.431 1.00 0.00 H new ATOM 0 HD13 ILE A 332 13.212 -12.911 -6.711 1.00 0.00 H new ATOM 542 N ASP A 333 15.191 -7.951 -4.628 1.00 0.00 N ATOM 543 CA ASP A 333 16.610 -7.551 -4.865 1.00 0.00 C ATOM 544 C ASP A 333 17.033 -6.474 -3.859 1.00 0.00 C ATOM 545 O ASP A 333 16.393 -6.277 -2.843 1.00 0.00 O ATOM 546 CB ASP A 333 16.636 -7.002 -6.298 1.00 0.00 C ATOM 547 CG ASP A 333 15.678 -5.812 -6.423 1.00 0.00 C ATOM 548 OD1 ASP A 333 14.481 -6.045 -6.478 1.00 0.00 O ATOM 549 OD2 ASP A 333 16.158 -4.692 -6.462 1.00 0.00 O ATOM 0 H ASP A 333 14.522 -7.181 -4.614 1.00 0.00 H new ATOM 0 HA ASP A 333 17.301 -8.384 -4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 333 17.648 -6.693 -6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 333 16.350 -7.785 -7.001 1.00 0.00 H new ATOM 554 N LEU A 334 18.108 -5.780 -4.136 1.00 0.00 N ATOM 555 CA LEU A 334 18.583 -4.715 -3.199 1.00 0.00 C ATOM 556 C LEU A 334 17.509 -3.634 -3.031 1.00 0.00 C ATOM 557 O LEU A 334 17.439 -2.975 -2.010 1.00 0.00 O ATOM 558 CB LEU A 334 19.831 -4.125 -3.858 1.00 0.00 C ATOM 559 CG LEU A 334 20.507 -3.151 -2.893 1.00 0.00 C ATOM 560 CD1 LEU A 334 21.281 -3.937 -1.832 1.00 0.00 C ATOM 561 CD2 LEU A 334 21.473 -2.255 -3.670 1.00 0.00 C ATOM 0 H LEU A 334 18.679 -5.905 -4.972 1.00 0.00 H new ATOM 0 HA LEU A 334 18.795 -5.112 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 334 20.523 -4.922 -4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 334 19.559 -3.610 -4.780 1.00 0.00 H new ATOM 0 HG LEU A 334 19.750 -2.536 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 334 21.763 -3.242 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 334 20.593 -4.577 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 334 22.039 -4.553 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 334 21.956 -1.560 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 334 22.230 -2.871 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 334 20.922 -1.695 -4.426 1.00 0.00 H new ATOM 573 N PHE A 335 16.676 -3.450 -4.024 1.00 0.00 N ATOM 574 CA PHE A 335 15.606 -2.411 -3.927 1.00 0.00 C ATOM 575 C PHE A 335 14.252 -3.066 -3.640 1.00 0.00 C ATOM 576 O PHE A 335 14.068 -4.251 -3.850 1.00 0.00 O ATOM 577 CB PHE A 335 15.592 -1.726 -5.296 1.00 0.00 C ATOM 578 CG PHE A 335 16.318 -0.404 -5.213 1.00 0.00 C ATOM 579 CD1 PHE A 335 17.711 -0.377 -5.075 1.00 0.00 C ATOM 580 CD2 PHE A 335 15.597 0.796 -5.274 1.00 0.00 C ATOM 581 CE1 PHE A 335 18.384 0.849 -4.998 1.00 0.00 C ATOM 582 CE2 PHE A 335 16.270 2.021 -5.196 1.00 0.00 C ATOM 583 CZ PHE A 335 17.663 2.047 -5.058 1.00 0.00 C ATOM 0 H PHE A 335 16.691 -3.975 -4.898 1.00 0.00 H new ATOM 0 HA PHE A 335 15.792 -1.704 -3.119 1.00 0.00 H new ATOM 0 HB2 PHE A 335 16.068 -2.367 -6.039 1.00 0.00 H new ATOM 0 HB3 PHE A 335 14.564 -1.567 -5.623 1.00 0.00 H new ATOM 0 HD1 PHE A 335 18.267 -1.302 -5.028 1.00 0.00 H new ATOM 0 HD2 PHE A 335 14.523 0.776 -5.381 1.00 0.00 H new ATOM 0 HE1 PHE A 335 19.459 0.870 -4.892 1.00 0.00 H new ATOM 0 HE2 PHE A 335 15.715 2.946 -5.242 1.00 0.00 H new ATOM 0 HZ PHE A 335 18.182 2.992 -4.998 1.00 0.00 H new ATOM 593 N GLU A 336 13.305 -2.300 -3.160 1.00 0.00 N ATOM 594 CA GLU A 336 11.956 -2.863 -2.853 1.00 0.00 C ATOM 595 C GLU A 336 10.904 -2.247 -3.786 1.00 0.00 C ATOM 596 O GLU A 336 11.210 -1.844 -4.893 1.00 0.00 O ATOM 597 CB GLU A 336 11.692 -2.471 -1.397 1.00 0.00 C ATOM 598 CG GLU A 336 10.954 -3.609 -0.687 1.00 0.00 C ATOM 599 CD GLU A 336 11.947 -4.718 -0.333 1.00 0.00 C ATOM 600 OE1 GLU A 336 12.853 -4.947 -1.115 1.00 0.00 O ATOM 601 OE2 GLU A 336 11.783 -5.318 0.716 1.00 0.00 O ATOM 0 H GLU A 336 13.409 -1.304 -2.967 1.00 0.00 H new ATOM 0 HA GLU A 336 11.909 -3.942 -2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 336 12.634 -2.262 -0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 336 11.098 -1.558 -1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 336 10.472 -3.236 0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 336 10.166 -4.003 -1.330 1.00 0.00 H new ATOM 608 N CYS A 337 9.668 -2.170 -3.350 1.00 0.00 N ATOM 609 CA CYS A 337 8.597 -1.579 -4.210 1.00 0.00 C ATOM 610 C CYS A 337 8.636 -0.048 -4.125 1.00 0.00 C ATOM 611 O CYS A 337 7.663 0.590 -3.769 1.00 0.00 O ATOM 612 CB CYS A 337 7.282 -2.119 -3.632 1.00 0.00 C ATOM 613 SG CYS A 337 6.679 -3.492 -4.646 1.00 0.00 S ATOM 0 H CYS A 337 9.356 -2.492 -2.434 1.00 0.00 H new ATOM 0 HA CYS A 337 8.717 -1.841 -5.261 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.436 -2.454 -2.606 1.00 0.00 H new ATOM 0 HB3 CYS A 337 6.536 -1.325 -3.599 1.00 0.00 H new ATOM 618 N ASN A 338 9.758 0.541 -4.454 1.00 0.00 N ATOM 619 CA ASN A 338 9.874 2.031 -4.398 1.00 0.00 C ATOM 620 C ASN A 338 10.792 2.536 -5.516 1.00 0.00 C ATOM 621 O ASN A 338 11.416 3.574 -5.394 1.00 0.00 O ATOM 622 CB ASN A 338 10.475 2.339 -3.022 1.00 0.00 C ATOM 623 CG ASN A 338 11.829 1.636 -2.870 1.00 0.00 C ATOM 624 OD1 ASN A 338 12.772 1.952 -3.567 1.00 0.00 O ATOM 625 ND2 ASN A 338 11.964 0.690 -1.981 1.00 0.00 N ATOM 0 H ASN A 338 10.600 0.054 -4.760 1.00 0.00 H new ATOM 0 HA ASN A 338 8.911 2.522 -4.536 1.00 0.00 H new ATOM 0 HB2 ASN A 338 10.600 3.415 -2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 338 9.795 2.009 -2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 338 12.861 0.217 -1.872 1.00 0.00 H new ATOM 0 HD22 ASN A 338 11.173 0.424 -1.395 1.00 0.00 H new ATOM 632 N LYS A 339 10.878 1.811 -6.602 1.00 0.00 N ATOM 633 CA LYS A 339 11.754 2.245 -7.732 1.00 0.00 C ATOM 634 C LYS A 339 10.917 2.469 -8.994 1.00 0.00 C ATOM 635 O LYS A 339 11.089 3.449 -9.694 1.00 0.00 O ATOM 636 CB LYS A 339 12.737 1.091 -7.937 1.00 0.00 C ATOM 637 CG LYS A 339 13.780 1.489 -8.983 1.00 0.00 C ATOM 638 CD LYS A 339 14.504 0.238 -9.485 1.00 0.00 C ATOM 639 CE LYS A 339 14.853 0.409 -10.965 1.00 0.00 C ATOM 640 NZ LYS A 339 14.998 -0.979 -11.488 1.00 0.00 N ATOM 0 H LYS A 339 10.378 0.935 -6.755 1.00 0.00 H new ATOM 0 HA LYS A 339 12.266 3.184 -7.521 1.00 0.00 H new ATOM 0 HB2 LYS A 339 13.227 0.845 -6.995 1.00 0.00 H new ATOM 0 HB3 LYS A 339 12.203 0.198 -8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 339 13.298 2.002 -9.815 1.00 0.00 H new ATOM 0 HG3 LYS A 339 14.496 2.187 -8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 339 15.411 0.072 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 339 13.873 -0.640 -9.348 1.00 0.00 H new ATOM 0 HE2 LYS A 339 14.070 0.951 -11.495 1.00 0.00 H new ATOM 0 HE3 LYS A 339 15.775 0.977 -11.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 15.238 -0.946 -12.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 15.755 -1.468 -10.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 14.103 -1.493 -11.361 1.00 0.00 H new ATOM 654 N LEU A 340 10.014 1.567 -9.285 1.00 0.00 N ATOM 655 CA LEU A 340 9.159 1.720 -10.500 1.00 0.00 C ATOM 656 C LEU A 340 7.975 2.645 -10.199 1.00 0.00 C ATOM 657 O LEU A 340 6.847 2.205 -10.079 1.00 0.00 O ATOM 658 CB LEU A 340 8.672 0.305 -10.822 1.00 0.00 C ATOM 659 CG LEU A 340 9.566 -0.314 -11.897 1.00 0.00 C ATOM 660 CD1 LEU A 340 9.416 -1.836 -11.873 1.00 0.00 C ATOM 661 CD2 LEU A 340 9.152 0.215 -13.272 1.00 0.00 C ATOM 0 H LEU A 340 9.832 0.730 -8.732 1.00 0.00 H new ATOM 0 HA LEU A 340 9.701 2.162 -11.336 1.00 0.00 H new ATOM 0 HB2 LEU A 340 8.689 -0.310 -9.922 1.00 0.00 H new ATOM 0 HB3 LEU A 340 7.639 0.335 -11.167 1.00 0.00 H new ATOM 0 HG LEU A 340 10.605 -0.048 -11.701 1.00 0.00 H new ATOM 0 HD11 LEU A 340 10.054 -2.277 -12.640 1.00 0.00 H new ATOM 0 HD12 LEU A 340 9.710 -2.215 -10.894 1.00 0.00 H new ATOM 0 HD13 LEU A 340 8.377 -2.102 -12.068 1.00 0.00 H new ATOM 0 HD21 LEU A 340 9.789 -0.226 -14.038 1.00 0.00 H new ATOM 0 HD22 LEU A 340 8.113 -0.051 -13.467 1.00 0.00 H new ATOM 0 HD23 LEU A 340 9.258 1.300 -13.292 1.00 0.00 H new ATOM 673 N VAL A 341 8.228 3.923 -10.075 1.00 0.00 N ATOM 674 CA VAL A 341 7.125 4.886 -9.781 1.00 0.00 C ATOM 675 C VAL A 341 7.390 6.226 -10.482 1.00 0.00 C ATOM 676 O VAL A 341 7.348 7.277 -9.871 1.00 0.00 O ATOM 677 CB VAL A 341 7.135 5.047 -8.253 1.00 0.00 C ATOM 678 CG1 VAL A 341 8.492 5.590 -7.791 1.00 0.00 C ATOM 679 CG2 VAL A 341 6.027 6.017 -7.831 1.00 0.00 C ATOM 0 H VAL A 341 9.154 4.342 -10.165 1.00 0.00 H new ATOM 0 HA VAL A 341 6.158 4.535 -10.141 1.00 0.00 H new ATOM 0 HB VAL A 341 6.964 4.074 -7.793 1.00 0.00 H new ATOM 0 HG11 VAL A 341 8.489 5.701 -6.707 1.00 0.00 H new ATOM 0 HG12 VAL A 341 9.280 4.896 -8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 341 8.673 6.560 -8.254 1.00 0.00 H new ATOM 0 HG21 VAL A 341 6.036 6.130 -6.747 1.00 0.00 H new ATOM 0 HG22 VAL A 341 6.195 6.987 -8.298 1.00 0.00 H new ATOM 0 HG23 VAL A 341 5.060 5.625 -8.147 1.00 0.00 H new ATOM 689 N PHE A 342 7.661 6.189 -11.763 1.00 0.00 N ATOM 690 CA PHE A 342 7.929 7.452 -12.514 1.00 0.00 C ATOM 691 C PHE A 342 6.649 7.946 -13.192 1.00 0.00 C ATOM 692 O PHE A 342 6.414 9.135 -13.300 1.00 0.00 O ATOM 693 CB PHE A 342 8.980 7.076 -13.559 1.00 0.00 C ATOM 694 CG PHE A 342 10.359 7.259 -12.975 1.00 0.00 C ATOM 695 CD1 PHE A 342 10.833 8.546 -12.690 1.00 0.00 C ATOM 696 CD2 PHE A 342 11.165 6.144 -12.718 1.00 0.00 C ATOM 697 CE1 PHE A 342 12.112 8.716 -12.148 1.00 0.00 C ATOM 698 CE2 PHE A 342 12.445 6.315 -12.175 1.00 0.00 C ATOM 699 CZ PHE A 342 12.918 7.601 -11.890 1.00 0.00 C ATOM 0 H PHE A 342 7.708 5.337 -12.321 1.00 0.00 H new ATOM 0 HA PHE A 342 8.272 8.255 -11.862 1.00 0.00 H new ATOM 0 HB2 PHE A 342 8.841 6.042 -13.874 1.00 0.00 H new ATOM 0 HB3 PHE A 342 8.864 7.698 -14.447 1.00 0.00 H new ATOM 0 HD1 PHE A 342 10.212 9.407 -12.888 1.00 0.00 H new ATOM 0 HD2 PHE A 342 10.800 5.152 -12.938 1.00 0.00 H new ATOM 0 HE1 PHE A 342 12.477 9.708 -11.929 1.00 0.00 H new ATOM 0 HE2 PHE A 342 13.067 5.455 -11.976 1.00 0.00 H new ATOM 0 HZ PHE A 342 13.905 7.733 -11.471 1.00 0.00 H new ATOM 709 N GLU A 343 5.822 7.040 -13.648 1.00 0.00 N ATOM 710 CA GLU A 343 4.551 7.446 -14.321 1.00 0.00 C ATOM 711 C GLU A 343 3.470 7.749 -13.277 1.00 0.00 C ATOM 712 O GLU A 343 2.562 8.522 -13.520 1.00 0.00 O ATOM 713 CB GLU A 343 4.151 6.242 -15.173 1.00 0.00 C ATOM 714 CG GLU A 343 3.128 6.679 -16.225 1.00 0.00 C ATOM 715 CD GLU A 343 3.227 5.762 -17.446 1.00 0.00 C ATOM 716 OE1 GLU A 343 4.240 5.818 -18.125 1.00 0.00 O ATOM 717 OE2 GLU A 343 2.289 5.018 -17.681 1.00 0.00 O ATOM 0 H GLU A 343 5.973 6.033 -13.583 1.00 0.00 H new ATOM 0 HA GLU A 343 4.673 8.348 -14.921 1.00 0.00 H new ATOM 0 HB2 GLU A 343 5.030 5.819 -15.659 1.00 0.00 H new ATOM 0 HB3 GLU A 343 3.728 5.460 -14.542 1.00 0.00 H new ATOM 0 HG2 GLU A 343 2.122 6.639 -15.808 1.00 0.00 H new ATOM 0 HG3 GLU A 343 3.311 7.713 -16.518 1.00 0.00 H new ATOM 724 N LEU A 344 3.562 7.143 -12.119 1.00 0.00 N ATOM 725 CA LEU A 344 2.542 7.391 -11.055 1.00 0.00 C ATOM 726 C LEU A 344 2.810 8.733 -10.368 1.00 0.00 C ATOM 727 O LEU A 344 1.901 9.388 -9.892 1.00 0.00 O ATOM 728 CB LEU A 344 2.710 6.240 -10.062 1.00 0.00 C ATOM 729 CG LEU A 344 1.708 5.131 -10.389 1.00 0.00 C ATOM 730 CD1 LEU A 344 2.154 3.827 -9.725 1.00 0.00 C ATOM 731 CD2 LEU A 344 0.326 5.524 -9.860 1.00 0.00 C ATOM 0 H LEU A 344 4.300 6.487 -11.865 1.00 0.00 H new ATOM 0 HA LEU A 344 1.530 7.435 -11.459 1.00 0.00 H new ATOM 0 HB2 LEU A 344 3.727 5.851 -10.109 1.00 0.00 H new ATOM 0 HB3 LEU A 344 2.553 6.598 -9.045 1.00 0.00 H new ATOM 0 HG LEU A 344 1.660 4.991 -11.469 1.00 0.00 H new ATOM 0 HD11 LEU A 344 1.440 3.037 -9.958 1.00 0.00 H new ATOM 0 HD12 LEU A 344 3.139 3.547 -10.098 1.00 0.00 H new ATOM 0 HD13 LEU A 344 2.201 3.966 -8.645 1.00 0.00 H new ATOM 0 HD21 LEU A 344 -0.390 4.735 -10.092 1.00 0.00 H new ATOM 0 HD22 LEU A 344 0.376 5.663 -8.780 1.00 0.00 H new ATOM 0 HD23 LEU A 344 0.007 6.454 -10.331 1.00 0.00 H new ATOM 1585 N ASN A 398 9.070 4.599 1.009 1.00 0.00 N ATOM 1586 CA ASN A 398 8.024 3.556 0.794 1.00 0.00 C ATOM 1587 C ASN A 398 6.635 4.146 1.045 1.00 0.00 C ATOM 1588 O ASN A 398 6.393 4.773 2.060 1.00 0.00 O ATOM 1589 CB ASN A 398 8.336 2.463 1.819 1.00 0.00 C ATOM 1590 CG ASN A 398 7.638 1.162 1.416 1.00 0.00 C ATOM 1591 OD1 ASN A 398 7.282 0.977 0.269 1.00 0.00 O ATOM 1592 ND2 ASN A 398 7.427 0.244 2.319 1.00 0.00 N ATOM 0 HA ASN A 398 8.027 3.170 -0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 398 9.413 2.305 1.880 1.00 0.00 H new ATOM 0 HB3 ASN A 398 8.003 2.774 2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 398 6.964 -0.628 2.062 1.00 0.00 H new ATOM 0 HD22 ASN A 398 7.725 0.398 3.282 1.00 0.00 H new ATOM 1599 N TRP A 399 5.721 3.952 0.126 1.00 0.00 N ATOM 1600 CA TRP A 399 4.345 4.502 0.307 1.00 0.00 C ATOM 1601 C TRP A 399 3.381 3.900 -0.725 1.00 0.00 C ATOM 1602 O TRP A 399 2.437 4.539 -1.150 1.00 0.00 O ATOM 1603 CB TRP A 399 4.488 6.020 0.111 1.00 0.00 C ATOM 1604 CG TRP A 399 5.005 6.327 -1.262 1.00 0.00 C ATOM 1605 CD1 TRP A 399 6.246 6.030 -1.715 1.00 0.00 C ATOM 1606 CD2 TRP A 399 4.318 6.993 -2.361 1.00 0.00 C ATOM 1607 NE1 TRP A 399 6.361 6.466 -3.023 1.00 0.00 N ATOM 1608 CE2 TRP A 399 5.199 7.066 -3.466 1.00 0.00 C ATOM 1609 CE3 TRP A 399 3.027 7.533 -2.505 1.00 0.00 C ATOM 1610 CZ2 TRP A 399 4.813 7.656 -4.671 1.00 0.00 C ATOM 1611 CZ3 TRP A 399 2.636 8.127 -3.715 1.00 0.00 C ATOM 1612 CH2 TRP A 399 3.527 8.188 -4.797 1.00 0.00 C ATOM 0 H TRP A 399 5.870 3.436 -0.741 1.00 0.00 H new ATOM 0 HA TRP A 399 3.933 4.261 1.287 1.00 0.00 H new ATOM 0 HB2 TRP A 399 3.523 6.504 0.259 1.00 0.00 H new ATOM 0 HB3 TRP A 399 5.167 6.427 0.861 1.00 0.00 H new ATOM 0 HD1 TRP A 399 7.020 5.534 -1.148 1.00 0.00 H new ATOM 0 HE1 TRP A 399 7.201 6.357 -3.591 1.00 0.00 H new ATOM 0 HE3 TRP A 399 2.332 7.490 -1.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 399 5.504 7.701 -5.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 399 1.643 8.540 -3.814 1.00 0.00 H new ATOM 0 HH2 TRP A 399 3.219 8.645 -5.726 1.00 0.00 H new ATOM 1623 N GLY A 400 3.614 2.674 -1.124 1.00 0.00 N ATOM 1624 CA GLY A 400 2.716 2.021 -2.122 1.00 0.00 C ATOM 1625 C GLY A 400 1.732 1.102 -1.397 1.00 0.00 C ATOM 1626 O GLY A 400 1.033 1.517 -0.492 1.00 0.00 O ATOM 0 H GLY A 400 4.390 2.097 -0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 400 2.174 2.778 -2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 400 3.306 1.448 -2.838 1.00 0.00 H new ATOM 1630 N ASN A 401 1.675 -0.146 -1.790 1.00 0.00 N ATOM 1631 CA ASN A 401 0.739 -1.104 -1.129 1.00 0.00 C ATOM 1632 C ASN A 401 1.349 -2.507 -1.110 1.00 0.00 C ATOM 1633 O ASN A 401 1.943 -2.946 -2.078 1.00 0.00 O ATOM 1634 CB ASN A 401 -0.524 -1.080 -1.990 1.00 0.00 C ATOM 1635 CG ASN A 401 -1.305 0.205 -1.713 1.00 0.00 C ATOM 1636 OD1 ASN A 401 -1.327 0.689 -0.599 1.00 0.00 O ATOM 1637 ND2 ASN A 401 -1.951 0.783 -2.688 1.00 0.00 N ATOM 0 H ASN A 401 2.238 -0.543 -2.542 1.00 0.00 H new ATOM 0 HA ASN A 401 0.531 -0.833 -0.094 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -0.259 -1.137 -3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -1.144 -1.949 -1.770 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -2.474 1.641 -2.515 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -1.933 0.377 -3.623 1.00 0.00 H new ATOM 1644 N TYR A 402 1.208 -3.213 -0.017 1.00 0.00 N ATOM 1645 CA TYR A 402 1.778 -4.590 0.067 1.00 0.00 C ATOM 1646 C TYR A 402 0.689 -5.592 0.464 1.00 0.00 C ATOM 1647 O TYR A 402 0.004 -5.419 1.454 1.00 0.00 O ATOM 1648 CB TYR A 402 2.859 -4.509 1.147 1.00 0.00 C ATOM 1649 CG TYR A 402 4.006 -3.660 0.651 1.00 0.00 C ATOM 1650 CD1 TYR A 402 3.879 -2.266 0.614 1.00 0.00 C ATOM 1651 CD2 TYR A 402 5.197 -4.265 0.228 1.00 0.00 C ATOM 1652 CE1 TYR A 402 4.941 -1.477 0.156 1.00 0.00 C ATOM 1653 CE2 TYR A 402 6.258 -3.476 -0.230 1.00 0.00 C ATOM 1654 CZ TYR A 402 6.131 -2.082 -0.267 1.00 0.00 C ATOM 1655 OH TYR A 402 7.179 -1.306 -0.718 1.00 0.00 O ATOM 0 H TYR A 402 0.722 -2.894 0.821 1.00 0.00 H new ATOM 0 HA TYR A 402 2.183 -4.927 -0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 402 2.444 -4.081 2.060 1.00 0.00 H new ATOM 0 HB3 TYR A 402 3.214 -5.509 1.396 1.00 0.00 H new ATOM 0 HD1 TYR A 402 2.961 -1.799 0.939 1.00 0.00 H new ATOM 0 HD2 TYR A 402 5.296 -5.340 0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 402 4.842 -0.402 0.129 1.00 0.00 H new ATOM 0 HE2 TYR A 402 7.176 -3.943 -0.555 1.00 0.00 H new ATOM 0 HH TYR A 402 6.927 -0.360 -0.678 1.00 0.00 H new ATOM 1665 N ASN A 403 0.535 -6.638 -0.306 1.00 0.00 N ATOM 1666 CA ASN A 403 -0.498 -7.671 0.011 1.00 0.00 C ATOM 1667 C ASN A 403 -0.038 -9.024 -0.529 1.00 0.00 C ATOM 1668 O ASN A 403 -0.305 -9.369 -1.665 1.00 0.00 O ATOM 1669 CB ASN A 403 -1.766 -7.204 -0.706 1.00 0.00 C ATOM 1670 CG ASN A 403 -2.930 -8.124 -0.336 1.00 0.00 C ATOM 1671 OD1 ASN A 403 -3.653 -8.586 -1.197 1.00 0.00 O ATOM 1672 ND2 ASN A 403 -3.146 -8.413 0.919 1.00 0.00 N ATOM 0 H ASN A 403 1.083 -6.823 -1.146 1.00 0.00 H new ATOM 0 HA ASN A 403 -0.667 -7.786 1.082 1.00 0.00 H new ATOM 0 HB2 ASN A 403 -1.998 -6.176 -0.426 1.00 0.00 H new ATOM 0 HB3 ASN A 403 -1.611 -7.213 -1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 403 -3.920 -9.025 1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 403 -2.540 -8.026 1.643 1.00 0.00 H new ATOM 1679 N THR A 404 0.672 -9.782 0.267 1.00 0.00 N ATOM 1680 CA THR A 404 1.174 -11.106 -0.211 1.00 0.00 C ATOM 1681 C THR A 404 1.326 -12.095 0.948 1.00 0.00 C ATOM 1682 O THR A 404 1.293 -11.726 2.106 1.00 0.00 O ATOM 1683 CB THR A 404 2.543 -10.801 -0.829 1.00 0.00 C ATOM 1684 OG1 THR A 404 3.125 -12.010 -1.298 1.00 0.00 O ATOM 1685 CG2 THR A 404 3.465 -10.163 0.220 1.00 0.00 C ATOM 0 H THR A 404 0.926 -9.542 1.225 1.00 0.00 H new ATOM 0 HA THR A 404 0.485 -11.567 -0.918 1.00 0.00 H new ATOM 0 HB THR A 404 2.415 -10.106 -1.659 1.00 0.00 H new ATOM 0 HG1 THR A 404 3.889 -12.246 -0.732 1.00 0.00 H new ATOM 0 HG21 THR A 404 4.435 -9.950 -0.229 1.00 0.00 H new ATOM 0 HG22 THR A 404 3.020 -9.235 0.579 1.00 0.00 H new ATOM 0 HG23 THR A 404 3.595 -10.850 1.056 1.00 0.00 H new ATOM 1693 N GLU A 405 1.518 -13.347 0.627 1.00 0.00 N ATOM 1694 CA GLU A 405 1.704 -14.382 1.683 1.00 0.00 C ATOM 1695 C GLU A 405 3.168 -14.843 1.701 1.00 0.00 C ATOM 1696 O GLU A 405 3.658 -15.339 2.698 1.00 0.00 O ATOM 1697 CB GLU A 405 0.781 -15.533 1.281 1.00 0.00 C ATOM 1698 CG GLU A 405 -0.567 -15.376 1.985 1.00 0.00 C ATOM 1699 CD GLU A 405 -1.429 -14.370 1.221 1.00 0.00 C ATOM 1700 OE1 GLU A 405 -1.719 -14.626 0.065 1.00 0.00 O ATOM 1701 OE2 GLU A 405 -1.783 -13.359 1.805 1.00 0.00 O ATOM 0 H GLU A 405 1.554 -13.699 -0.330 1.00 0.00 H new ATOM 0 HA GLU A 405 1.470 -14.009 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 405 0.640 -15.540 0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 405 1.234 -16.487 1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 405 -1.075 -16.339 2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 405 -0.416 -15.037 3.010 1.00 0.00 H new ATOM 1708 N THR A 406 3.869 -14.681 0.601 1.00 0.00 N ATOM 1709 CA THR A 406 5.300 -15.105 0.545 1.00 0.00 C ATOM 1710 C THR A 406 6.216 -13.884 0.397 1.00 0.00 C ATOM 1711 O THR A 406 6.886 -13.490 1.332 1.00 0.00 O ATOM 1712 CB THR A 406 5.398 -16.002 -0.690 1.00 0.00 C ATOM 1713 OG1 THR A 406 4.754 -15.366 -1.787 1.00 0.00 O ATOM 1714 CG2 THR A 406 4.719 -17.343 -0.405 1.00 0.00 C ATOM 0 H THR A 406 3.507 -14.272 -0.261 1.00 0.00 H new ATOM 0 HA THR A 406 5.611 -15.622 1.453 1.00 0.00 H new ATOM 0 HB THR A 406 6.447 -16.174 -0.933 1.00 0.00 H new ATOM 0 HG1 THR A 406 4.817 -15.938 -2.580 1.00 0.00 H new ATOM 0 HG21 THR A 406 4.790 -17.981 -1.286 1.00 0.00 H new ATOM 0 HG22 THR A 406 5.213 -17.830 0.436 1.00 0.00 H new ATOM 0 HG23 THR A 406 3.670 -17.175 -0.162 1.00 0.00 H new ATOM 1722 N GLN A 407 6.251 -13.285 -0.771 1.00 0.00 N ATOM 1723 CA GLN A 407 7.130 -12.090 -0.976 1.00 0.00 C ATOM 1724 C GLN A 407 6.789 -11.376 -2.290 1.00 0.00 C ATOM 1725 O GLN A 407 7.463 -11.541 -3.290 1.00 0.00 O ATOM 1726 CB GLN A 407 8.552 -12.651 -1.026 1.00 0.00 C ATOM 1727 CG GLN A 407 9.535 -11.594 -0.521 1.00 0.00 C ATOM 1728 CD GLN A 407 10.756 -12.282 0.091 1.00 0.00 C ATOM 1729 OE1 GLN A 407 11.836 -12.237 -0.465 1.00 0.00 O ATOM 1730 NE2 GLN A 407 10.631 -12.922 1.221 1.00 0.00 N ATOM 0 H GLN A 407 5.711 -13.571 -1.588 1.00 0.00 H new ATOM 0 HA GLN A 407 7.003 -11.353 -0.183 1.00 0.00 H new ATOM 0 HB2 GLN A 407 8.622 -13.550 -0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 407 8.805 -12.940 -2.046 1.00 0.00 H new ATOM 0 HG2 GLN A 407 9.843 -10.947 -1.342 1.00 0.00 H new ATOM 0 HG3 GLN A 407 9.052 -10.959 0.222 1.00 0.00 H new ATOM 0 HE21 GLN A 407 9.725 -12.960 1.688 1.00 0.00 H new ATOM 0 HE22 GLN A 407 11.439 -13.384 1.637 1.00 0.00 H new ATOM 1739 N LYS A 408 5.755 -10.573 -2.288 1.00 0.00 N ATOM 1740 CA LYS A 408 5.363 -9.828 -3.522 1.00 0.00 C ATOM 1741 C LYS A 408 4.686 -8.511 -3.129 1.00 0.00 C ATOM 1742 O LYS A 408 3.810 -8.490 -2.287 1.00 0.00 O ATOM 1743 CB LYS A 408 4.378 -10.746 -4.248 1.00 0.00 C ATOM 1744 CG LYS A 408 4.067 -10.169 -5.631 1.00 0.00 C ATOM 1745 CD LYS A 408 5.184 -10.548 -6.611 1.00 0.00 C ATOM 1746 CE LYS A 408 4.748 -11.755 -7.447 1.00 0.00 C ATOM 1747 NZ LYS A 408 4.834 -12.919 -6.520 1.00 0.00 N ATOM 0 H LYS A 408 5.161 -10.401 -1.477 1.00 0.00 H new ATOM 0 HA LYS A 408 6.217 -9.580 -4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 408 4.801 -11.746 -4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 408 3.460 -10.844 -3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 408 3.111 -10.551 -5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 408 3.975 -9.085 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 408 5.411 -9.704 -7.263 1.00 0.00 H new ATOM 0 HD3 LYS A 408 6.097 -10.783 -6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 408 3.734 -11.627 -7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 408 5.397 -11.891 -8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 4.904 -13.798 -7.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 5.676 -12.821 -5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 3.983 -12.951 -5.923 1.00 0.00 H new ATOM 1761 N CYS A 409 5.088 -7.413 -3.722 1.00 0.00 N ATOM 1762 CA CYS A 409 4.462 -6.102 -3.364 1.00 0.00 C ATOM 1763 C CYS A 409 4.078 -5.313 -4.620 1.00 0.00 C ATOM 1764 O CYS A 409 4.441 -5.667 -5.725 1.00 0.00 O ATOM 1765 CB CYS A 409 5.526 -5.351 -2.550 1.00 0.00 C ATOM 1766 SG CYS A 409 7.039 -5.136 -3.529 1.00 0.00 S ATOM 0 H CYS A 409 5.817 -7.368 -4.434 1.00 0.00 H new ATOM 0 HA CYS A 409 3.541 -6.239 -2.798 1.00 0.00 H new ATOM 0 HB2 CYS A 409 5.141 -4.378 -2.247 1.00 0.00 H new ATOM 0 HB3 CYS A 409 5.751 -5.903 -1.638 1.00 0.00 H new ATOM 1771 N GLU A 410 3.345 -4.244 -4.445 1.00 0.00 N ATOM 1772 CA GLU A 410 2.924 -3.410 -5.609 1.00 0.00 C ATOM 1773 C GLU A 410 2.782 -1.945 -5.176 1.00 0.00 C ATOM 1774 O GLU A 410 2.828 -1.635 -4.000 1.00 0.00 O ATOM 1775 CB GLU A 410 1.572 -3.987 -6.048 1.00 0.00 C ATOM 1776 CG GLU A 410 0.560 -3.895 -4.900 1.00 0.00 C ATOM 1777 CD GLU A 410 -0.373 -5.108 -4.941 1.00 0.00 C ATOM 1778 OE1 GLU A 410 0.111 -6.208 -4.735 1.00 0.00 O ATOM 1779 OE2 GLU A 410 -1.554 -4.914 -5.177 1.00 0.00 O ATOM 0 H GLU A 410 3.018 -3.911 -3.538 1.00 0.00 H new ATOM 0 HA GLU A 410 3.649 -3.431 -6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 410 1.200 -3.442 -6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 410 1.694 -5.026 -6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 410 1.082 -3.857 -3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -0.019 -2.975 -4.984 1.00 0.00 H new ATOM 1786 N ILE A 411 2.611 -1.048 -6.112 1.00 0.00 N ATOM 1787 CA ILE A 411 2.467 0.394 -5.751 1.00 0.00 C ATOM 1788 C ILE A 411 1.354 1.040 -6.588 1.00 0.00 C ATOM 1789 O ILE A 411 1.254 0.829 -7.782 1.00 0.00 O ATOM 1790 CB ILE A 411 3.850 1.010 -6.044 1.00 0.00 C ATOM 1791 CG1 ILE A 411 3.931 2.456 -5.499 1.00 0.00 C ATOM 1792 CG2 ILE A 411 4.147 0.984 -7.550 1.00 0.00 C ATOM 1793 CD1 ILE A 411 3.032 3.421 -6.292 1.00 0.00 C ATOM 0 H ILE A 411 2.565 -1.251 -7.110 1.00 0.00 H new ATOM 0 HA ILE A 411 2.181 0.549 -4.711 1.00 0.00 H new ATOM 0 HB ILE A 411 4.604 0.410 -5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 411 3.636 2.465 -4.450 1.00 0.00 H new ATOM 0 HG13 ILE A 411 4.963 2.803 -5.543 1.00 0.00 H new ATOM 0 HG21 ILE A 411 5.127 1.423 -7.735 1.00 0.00 H new ATOM 0 HG22 ILE A 411 4.138 -0.047 -7.905 1.00 0.00 H new ATOM 0 HG23 ILE A 411 3.387 1.557 -8.081 1.00 0.00 H new ATOM 0 HD11 ILE A 411 3.119 4.425 -5.876 1.00 0.00 H new ATOM 0 HD12 ILE A 411 3.343 3.433 -7.337 1.00 0.00 H new ATOM 0 HD13 ILE A 411 1.996 3.090 -6.226 1.00 0.00 H new ATOM 1805 N PHE A 412 0.523 1.832 -5.957 1.00 0.00 N ATOM 1806 CA PHE A 412 -0.588 2.516 -6.688 1.00 0.00 C ATOM 1807 C PHE A 412 -1.276 3.517 -5.754 1.00 0.00 C ATOM 1808 O PHE A 412 -2.438 3.376 -5.422 1.00 0.00 O ATOM 1809 CB PHE A 412 -1.558 1.406 -7.096 1.00 0.00 C ATOM 1810 CG PHE A 412 -2.524 1.944 -8.123 1.00 0.00 C ATOM 1811 CD1 PHE A 412 -2.112 2.113 -9.451 1.00 0.00 C ATOM 1812 CD2 PHE A 412 -3.831 2.277 -7.748 1.00 0.00 C ATOM 1813 CE1 PHE A 412 -3.008 2.614 -10.403 1.00 0.00 C ATOM 1814 CE2 PHE A 412 -4.726 2.779 -8.700 1.00 0.00 C ATOM 1815 CZ PHE A 412 -4.315 2.947 -10.028 1.00 0.00 C ATOM 0 H PHE A 412 0.567 2.035 -4.958 1.00 0.00 H new ATOM 0 HA PHE A 412 -0.232 3.070 -7.557 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -1.008 0.558 -7.505 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -2.101 1.042 -6.224 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -1.104 1.857 -9.740 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.149 2.147 -6.724 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -2.691 2.744 -11.427 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -5.734 3.037 -8.410 1.00 0.00 H new ATOM 0 HZ PHE A 412 -5.006 3.333 -10.763 1.00 0.00 H new ATOM 1825 N ASN A 413 -0.557 4.521 -5.323 1.00 0.00 N ATOM 1826 CA ASN A 413 -1.151 5.539 -4.400 1.00 0.00 C ATOM 1827 C ASN A 413 -2.374 6.206 -5.038 1.00 0.00 C ATOM 1828 O ASN A 413 -2.365 6.559 -6.202 1.00 0.00 O ATOM 1829 CB ASN A 413 -0.039 6.570 -4.162 1.00 0.00 C ATOM 1830 CG ASN A 413 0.410 7.173 -5.497 1.00 0.00 C ATOM 1831 OD1 ASN A 413 -0.187 8.112 -5.985 1.00 0.00 O ATOM 1832 ND2 ASN A 413 1.445 6.669 -6.111 1.00 0.00 N ATOM 0 H ASN A 413 0.419 4.682 -5.570 1.00 0.00 H new ATOM 0 HA ASN A 413 -1.493 5.086 -3.469 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -0.398 7.358 -3.500 1.00 0.00 H new ATOM 0 HB3 ASN A 413 0.807 6.096 -3.664 1.00 0.00 H new ATOM 0 HD21 ASN A 413 1.752 7.063 -7.000 1.00 0.00 H new ATOM 0 HD22 ASN A 413 1.947 5.881 -5.702 1.00 0.00 H new ATOM 1839 N VAL A 414 -3.423 6.383 -4.277 1.00 0.00 N ATOM 1840 CA VAL A 414 -4.655 7.031 -4.819 1.00 0.00 C ATOM 1841 C VAL A 414 -5.258 7.970 -3.769 1.00 0.00 C ATOM 1842 O VAL A 414 -4.819 8.005 -2.634 1.00 0.00 O ATOM 1843 CB VAL A 414 -5.619 5.881 -5.137 1.00 0.00 C ATOM 1844 CG1 VAL A 414 -5.007 4.981 -6.214 1.00 0.00 C ATOM 1845 CG2 VAL A 414 -5.882 5.055 -3.872 1.00 0.00 C ATOM 0 H VAL A 414 -3.479 6.105 -3.297 1.00 0.00 H new ATOM 0 HA VAL A 414 -4.447 7.632 -5.704 1.00 0.00 H new ATOM 0 HB VAL A 414 -6.560 6.295 -5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -5.693 4.164 -6.439 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.829 5.564 -7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -4.063 4.573 -5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -6.567 4.240 -4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -4.942 4.644 -3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -6.324 5.693 -3.106 1.00 0.00 H new ATOM 1855 N LYS A 415 -6.257 8.731 -4.141 1.00 0.00 N ATOM 1856 CA LYS A 415 -6.892 9.670 -3.164 1.00 0.00 C ATOM 1857 C LYS A 415 -7.623 8.879 -2.067 1.00 0.00 C ATOM 1858 O LYS A 415 -8.043 7.762 -2.298 1.00 0.00 O ATOM 1859 CB LYS A 415 -7.887 10.495 -3.983 1.00 0.00 C ATOM 1860 CG LYS A 415 -7.138 11.581 -4.762 1.00 0.00 C ATOM 1861 CD LYS A 415 -7.987 12.853 -4.813 1.00 0.00 C ATOM 1862 CE LYS A 415 -7.170 13.991 -5.429 1.00 0.00 C ATOM 1863 NZ LYS A 415 -7.273 13.784 -6.900 1.00 0.00 N ATOM 0 H LYS A 415 -6.660 8.743 -5.078 1.00 0.00 H new ATOM 0 HA LYS A 415 -6.157 10.302 -2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 415 -8.430 9.848 -4.672 1.00 0.00 H new ATOM 0 HB3 LYS A 415 -8.626 10.951 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 415 -6.180 11.790 -4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 415 -6.922 11.235 -5.773 1.00 0.00 H new ATOM 0 HD2 LYS A 415 -8.887 12.678 -5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 415 -8.311 13.127 -3.809 1.00 0.00 H new ATOM 0 HE2 LYS A 415 -7.566 14.964 -5.138 1.00 0.00 H new ATOM 0 HE3 LYS A 415 -6.132 13.957 -5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 -6.341 13.930 -7.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 -7.598 12.815 -7.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 -7.952 14.463 -7.299 1.00 0.00 H new ATOM 1877 N PRO A 416 -7.759 9.479 -0.903 1.00 0.00 N ATOM 1878 CA PRO A 416 -8.451 8.794 0.217 1.00 0.00 C ATOM 1879 C PRO A 416 -9.959 8.730 -0.045 1.00 0.00 C ATOM 1880 O PRO A 416 -10.734 9.453 0.552 1.00 0.00 O ATOM 1881 CB PRO A 416 -8.146 9.677 1.425 1.00 0.00 C ATOM 1882 CG PRO A 416 -7.871 11.032 0.856 1.00 0.00 C ATOM 1883 CD PRO A 416 -7.292 10.824 -0.518 1.00 0.00 C ATOM 0 HA PRO A 416 -8.122 7.764 0.356 1.00 0.00 H new ATOM 0 HB2 PRO A 416 -8.988 9.703 2.117 1.00 0.00 H new ATOM 0 HB3 PRO A 416 -7.287 9.301 1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 416 -8.787 11.621 0.803 1.00 0.00 H new ATOM 0 HG3 PRO A 416 -7.174 11.582 1.489 1.00 0.00 H new ATOM 0 HD2 PRO A 416 -7.642 11.583 -1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 416 -6.204 10.880 -0.505 1.00 0.00 H new ATOM 1891 N THR A 417 -10.378 7.865 -0.935 1.00 0.00 N ATOM 1892 CA THR A 417 -11.836 7.745 -1.243 1.00 0.00 C ATOM 1893 C THR A 417 -12.111 6.448 -2.010 1.00 0.00 C ATOM 1894 O THR A 417 -13.022 6.373 -2.812 1.00 0.00 O ATOM 1895 CB THR A 417 -12.170 8.969 -2.106 1.00 0.00 C ATOM 1896 OG1 THR A 417 -13.540 8.918 -2.480 1.00 0.00 O ATOM 1897 CG2 THR A 417 -11.299 8.982 -3.367 1.00 0.00 C ATOM 0 H THR A 417 -9.772 7.236 -1.462 1.00 0.00 H new ATOM 0 HA THR A 417 -12.445 7.712 -0.340 1.00 0.00 H new ATOM 0 HB THR A 417 -11.975 9.874 -1.531 1.00 0.00 H new ATOM 0 HG1 THR A 417 -13.781 7.998 -2.715 1.00 0.00 H new ATOM 0 HG21 THR A 417 -11.546 9.855 -3.971 1.00 0.00 H new ATOM 0 HG22 THR A 417 -10.248 9.023 -3.083 1.00 0.00 H new ATOM 0 HG23 THR A 417 -11.483 8.077 -3.946 1.00 0.00 H new ATOM 1905 N CYS A 418 -11.325 5.428 -1.768 1.00 0.00 N ATOM 1906 CA CYS A 418 -11.532 4.131 -2.478 1.00 0.00 C ATOM 1907 C CYS A 418 -10.980 2.975 -1.639 1.00 0.00 C ATOM 1908 O CYS A 418 -10.304 3.185 -0.650 1.00 0.00 O ATOM 1909 CB CYS A 418 -10.752 4.267 -3.786 1.00 0.00 C ATOM 1910 SG CYS A 418 -11.617 3.380 -5.106 1.00 0.00 S ATOM 0 H CYS A 418 -10.548 5.439 -1.108 1.00 0.00 H new ATOM 0 HA CYS A 418 -12.587 3.919 -2.654 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -10.646 5.319 -4.050 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -9.746 3.866 -3.664 1.00 0.00 H new ATOM 1915 N LEU A 419 -11.266 1.758 -2.029 1.00 0.00 N ATOM 1916 CA LEU A 419 -10.763 0.580 -1.257 1.00 0.00 C ATOM 1917 C LEU A 419 -10.181 -0.469 -2.210 1.00 0.00 C ATOM 1918 O LEU A 419 -10.860 -1.394 -2.613 1.00 0.00 O ATOM 1919 CB LEU A 419 -11.994 0.024 -0.537 1.00 0.00 C ATOM 1920 CG LEU A 419 -12.559 1.083 0.411 1.00 0.00 C ATOM 1921 CD1 LEU A 419 -13.875 0.582 1.010 1.00 0.00 C ATOM 1922 CD2 LEU A 419 -11.557 1.347 1.537 1.00 0.00 C ATOM 0 H LEU A 419 -11.827 1.529 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 419 -9.970 0.851 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 419 -12.752 -0.268 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 419 -11.726 -0.873 0.022 1.00 0.00 H new ATOM 0 HG LEU A 419 -12.738 2.005 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 419 -14.278 1.337 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 419 -14.590 0.393 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 419 -13.696 -0.341 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 419 -11.959 2.102 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 419 -11.378 0.424 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 419 -10.618 1.703 1.113 1.00 0.00 H new ATOM 1934 N ILE A 420 -8.929 -0.332 -2.568 1.00 0.00 N ATOM 1935 CA ILE A 420 -8.295 -1.322 -3.492 1.00 0.00 C ATOM 1936 C ILE A 420 -6.864 -1.612 -3.028 1.00 0.00 C ATOM 1937 O ILE A 420 -5.942 -1.666 -3.820 1.00 0.00 O ATOM 1938 CB ILE A 420 -8.291 -0.657 -4.877 1.00 0.00 C ATOM 1939 CG1 ILE A 420 -9.729 -0.286 -5.278 1.00 0.00 C ATOM 1940 CG2 ILE A 420 -7.699 -1.627 -5.913 1.00 0.00 C ATOM 1941 CD1 ILE A 420 -9.725 0.421 -6.637 1.00 0.00 C ATOM 0 H ILE A 420 -8.317 0.424 -2.260 1.00 0.00 H new ATOM 0 HA ILE A 420 -8.832 -2.270 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 420 -7.684 0.247 -4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -10.345 -1.184 -5.327 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -10.171 0.363 -4.522 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -7.697 -1.154 -6.895 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -6.677 -1.882 -5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -8.302 -2.534 -5.949 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -10.746 0.681 -6.915 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -9.124 1.328 -6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -9.301 -0.242 -7.391 1.00 0.00 H new ATOM 1953 N ASN A 421 -6.678 -1.794 -1.746 1.00 0.00 N ATOM 1954 CA ASN A 421 -5.312 -2.076 -1.214 1.00 0.00 C ATOM 1955 C ASN A 421 -5.405 -2.831 0.116 1.00 0.00 C ATOM 1956 O ASN A 421 -6.476 -2.997 0.671 1.00 0.00 O ATOM 1957 CB ASN A 421 -4.664 -0.700 -1.017 1.00 0.00 C ATOM 1958 CG ASN A 421 -5.503 0.142 -0.049 1.00 0.00 C ATOM 1959 OD1 ASN A 421 -5.353 0.039 1.152 1.00 0.00 O ATOM 1960 ND2 ASN A 421 -6.385 0.977 -0.526 1.00 0.00 N ATOM 0 H ASN A 421 -7.416 -1.759 -1.043 1.00 0.00 H new ATOM 0 HA ASN A 421 -4.728 -2.702 -1.889 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -3.653 -0.818 -0.627 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -4.578 -0.189 -1.976 1.00 0.00 H new ATOM 0 HD21 ASN A 421 -6.948 1.543 0.109 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -6.512 1.064 -1.534 1.00 0.00 H new ATOM 1967 N ASN A 422 -4.290 -3.287 0.627 1.00 0.00 N ATOM 1968 CA ASN A 422 -4.304 -4.033 1.923 1.00 0.00 C ATOM 1969 C ASN A 422 -3.351 -3.374 2.927 1.00 0.00 C ATOM 1970 O ASN A 422 -3.782 -2.804 3.913 1.00 0.00 O ATOM 1971 CB ASN A 422 -3.839 -5.448 1.573 1.00 0.00 C ATOM 1972 CG ASN A 422 -3.955 -6.344 2.809 1.00 0.00 C ATOM 1973 OD1 ASN A 422 -4.837 -7.176 2.890 1.00 0.00 O ATOM 1974 ND2 ASN A 422 -3.095 -6.210 3.781 1.00 0.00 N ATOM 0 H ASN A 422 -3.369 -3.175 0.203 1.00 0.00 H new ATOM 0 HA ASN A 422 -5.290 -4.037 2.388 1.00 0.00 H new ATOM 0 HB2 ASN A 422 -4.444 -5.851 0.761 1.00 0.00 H new ATOM 0 HB3 ASN A 422 -2.807 -5.427 1.222 1.00 0.00 H new ATOM 0 HD21 ASN A 422 -3.163 -6.803 4.608 1.00 0.00 H new ATOM 0 HD22 ASN A 422 -2.354 -5.512 3.714 1.00 0.00 H new ATOM 1981 N SER A 423 -2.063 -3.445 2.689 1.00 0.00 N ATOM 1982 CA SER A 423 -1.090 -2.820 3.634 1.00 0.00 C ATOM 1983 C SER A 423 -0.563 -1.502 3.061 1.00 0.00 C ATOM 1984 O SER A 423 0.302 -1.490 2.205 1.00 0.00 O ATOM 1985 CB SER A 423 0.044 -3.836 3.765 1.00 0.00 C ATOM 1986 OG SER A 423 -0.505 -5.143 3.870 1.00 0.00 O ATOM 0 H SER A 423 -1.646 -3.909 1.882 1.00 0.00 H new ATOM 0 HA SER A 423 -1.545 -2.588 4.597 1.00 0.00 H new ATOM 0 HB2 SER A 423 0.704 -3.775 2.900 1.00 0.00 H new ATOM 0 HB3 SER A 423 0.649 -3.612 4.644 1.00 0.00 H new ATOM 0 HG SER A 423 -0.668 -5.503 2.973 1.00 0.00 H new ATOM 1992 N SER A 424 -1.078 -0.394 3.530 1.00 0.00 N ATOM 1993 CA SER A 424 -0.613 0.931 3.019 1.00 0.00 C ATOM 1994 C SER A 424 0.390 1.550 3.997 1.00 0.00 C ATOM 1995 O SER A 424 0.026 2.014 5.060 1.00 0.00 O ATOM 1996 CB SER A 424 -1.876 1.787 2.933 1.00 0.00 C ATOM 1997 OG SER A 424 -2.684 1.325 1.858 1.00 0.00 O ATOM 0 H SER A 424 -1.802 -0.350 4.247 1.00 0.00 H new ATOM 0 HA SER A 424 -0.110 0.850 2.056 1.00 0.00 H new ATOM 0 HB2 SER A 424 -2.431 1.732 3.870 1.00 0.00 H new ATOM 0 HB3 SER A 424 -1.611 2.833 2.780 1.00 0.00 H new ATOM 0 HG SER A 424 -2.117 1.127 1.084 1.00 0.00 H new ATOM 2003 N TYR A 425 1.649 1.557 3.640 1.00 0.00 N ATOM 2004 CA TYR A 425 2.685 2.143 4.543 1.00 0.00 C ATOM 2005 C TYR A 425 3.137 3.508 4.013 1.00 0.00 C ATOM 2006 O TYR A 425 4.299 3.717 3.716 1.00 0.00 O ATOM 2007 CB TYR A 425 3.843 1.143 4.516 1.00 0.00 C ATOM 2008 CG TYR A 425 4.692 1.320 5.751 1.00 0.00 C ATOM 2009 CD1 TYR A 425 4.390 0.606 6.917 1.00 0.00 C ATOM 2010 CD2 TYR A 425 5.782 2.199 5.731 1.00 0.00 C ATOM 2011 CE1 TYR A 425 5.178 0.771 8.063 1.00 0.00 C ATOM 2012 CE2 TYR A 425 6.569 2.365 6.877 1.00 0.00 C ATOM 2013 CZ TYR A 425 6.267 1.650 8.043 1.00 0.00 C ATOM 2014 OH TYR A 425 7.045 1.812 9.172 1.00 0.00 O ATOM 0 H TYR A 425 2.005 1.182 2.761 1.00 0.00 H new ATOM 0 HA TYR A 425 2.311 2.305 5.554 1.00 0.00 H new ATOM 0 HB2 TYR A 425 3.457 0.125 4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 425 4.447 1.295 3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 425 3.549 -0.072 6.933 1.00 0.00 H new ATOM 0 HD2 TYR A 425 6.016 2.749 4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 425 4.945 0.220 8.962 1.00 0.00 H new ATOM 0 HE2 TYR A 425 7.409 3.044 6.862 1.00 0.00 H new ATOM 0 HH TYR A 425 7.759 2.457 8.987 1.00 0.00 H new ATOM 2024 N ILE A 426 2.223 4.438 3.895 1.00 0.00 N ATOM 2025 CA ILE A 426 2.588 5.797 3.386 1.00 0.00 C ATOM 2026 C ILE A 426 3.300 6.592 4.486 1.00 0.00 C ATOM 2027 O ILE A 426 2.684 7.348 5.214 1.00 0.00 O ATOM 2028 CB ILE A 426 1.256 6.458 3.012 1.00 0.00 C ATOM 2029 CG1 ILE A 426 0.551 5.623 1.939 1.00 0.00 C ATOM 2030 CG2 ILE A 426 1.513 7.865 2.464 1.00 0.00 C ATOM 2031 CD1 ILE A 426 -0.873 6.144 1.738 1.00 0.00 C ATOM 0 H ILE A 426 1.238 4.315 4.129 1.00 0.00 H new ATOM 0 HA ILE A 426 3.266 5.753 2.534 1.00 0.00 H new ATOM 0 HB ILE A 426 0.628 6.521 3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 426 1.104 5.675 1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 426 0.527 4.575 2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 426 0.564 8.331 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 426 2.013 8.466 3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 426 2.145 7.801 1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 426 -1.374 5.549 0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 426 -1.424 6.069 2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 426 -0.838 7.186 1.421 1.00 0.00 H new ATOM 2043 N ALA A 427 4.593 6.427 4.607 1.00 0.00 N ATOM 2044 CA ALA A 427 5.355 7.169 5.656 1.00 0.00 C ATOM 2045 C ALA A 427 6.569 7.867 5.033 1.00 0.00 C ATOM 2046 O ALA A 427 7.699 7.635 5.424 1.00 0.00 O ATOM 2047 CB ALA A 427 5.800 6.098 6.653 1.00 0.00 C ATOM 0 H ALA A 427 5.155 5.808 4.022 1.00 0.00 H new ATOM 0 HA ALA A 427 4.756 7.944 6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 427 6.368 6.564 7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 427 4.923 5.601 7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 427 6.426 5.365 6.144 1.00 0.00 H new