USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 652 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 51 TYR OH : rot 1:sc= 1.25 USER MOD Set 1.2: A 94 ASN : amide:sc= 1.56 K(o=2.3,f=-4.1) USER MOD Set 1.3: A 97 MET CE :methyl 160:sc= -0.557 (180deg=-1.02) USER MOD Set 2.1: A 90 SER OG : rot 180:sc= 0.407 USER MOD Set 2.2: A 91 GLN : amide:sc= -0.346 X(o=0.061,f=0.084) USER MOD Set 3.1: A 52 CYS SG : rot -156:sc= 0.424 USER MOD Set 3.2: A 62 CYS SG : rot -157:sc= 0.124 USER MOD Set 4.1: A 38 ASN : amide:sc=0.000876 K(o=0.71,f=-1.9!) USER MOD Set 4.2: A 89 SER OG : rot -64:sc= 0.714 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.431 K(o=-0.43,f=-2) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.134 F(o=-2.1!,f=-0.13) USER MOD Single : A 34 MET CE :methyl -163:sc= -0.03 (180deg=-0.35) USER MOD Single : A 41 ASN : amide:sc=-0.00502 X(o=-0.005,f=-0.2) USER MOD Single : A 42 THR OG1 : rot -112:sc= 1.72 USER MOD Single : A 43 THR OG1 : rot 156:sc= -0.625! USER MOD Single : A 47 ASN : amide:sc= -0.144 K(o=-0.14,f=-0.79) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= -0.0427 (180deg=-0.363) USER MOD Single : A 75 ASN : amide:sc= -0.844 X(o=-0.84,f=-1.2) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 87 LYS NZ :NH3+ 167:sc=-0.00862 (180deg=-0.158) USER MOD Single : A 95 THR OG1 : rot -170:sc= 0.0194 USER MOD Single : A 102 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.037) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 336 N GLU A 26 -14.296 -1.637 -10.442 1.00 0.00 N ATOM 337 CA GLU A 26 -13.161 -2.589 -10.399 1.00 0.00 C ATOM 338 C GLU A 26 -12.992 -3.382 -9.085 1.00 0.00 C ATOM 339 O GLU A 26 -12.286 -4.384 -9.049 1.00 0.00 O ATOM 340 CB GLU A 26 -11.853 -1.872 -10.773 1.00 0.00 C ATOM 341 CG GLU A 26 -11.812 -1.576 -12.276 1.00 0.00 C ATOM 342 CD GLU A 26 -10.579 -0.747 -12.656 1.00 0.00 C ATOM 343 OE1 GLU A 26 -9.540 -1.368 -12.961 1.00 0.00 O ATOM 344 OE2 GLU A 26 -10.725 0.493 -12.639 1.00 0.00 O ATOM 0 HA GLU A 26 -13.409 -3.350 -11.139 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.768 -0.942 -10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.000 -2.491 -10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.806 -2.514 -12.832 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.715 -1.039 -12.566 1.00 0.00 H new ATOM 351 N GLY A 27 -13.469 -2.786 -7.993 1.00 0.00 N ATOM 352 CA GLY A 27 -13.514 -3.429 -6.657 1.00 0.00 C ATOM 353 C GLY A 27 -13.893 -2.407 -5.566 1.00 0.00 C ATOM 354 O GLY A 27 -14.215 -1.263 -5.867 1.00 0.00 O ATOM 0 H GLY A 27 -13.841 -1.836 -7.998 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.238 -4.243 -6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.543 -3.868 -6.428 1.00 0.00 H new ATOM 358 N THR A 28 -13.911 -2.881 -4.328 1.00 0.00 N ATOM 359 CA THR A 28 -14.092 -2.007 -3.157 1.00 0.00 C ATOM 360 C THR A 28 -12.793 -2.038 -2.346 1.00 0.00 C ATOM 361 O THR A 28 -12.527 -2.958 -1.574 1.00 0.00 O ATOM 362 CB THR A 28 -15.292 -2.449 -2.302 1.00 0.00 C ATOM 363 OG1 THR A 28 -16.413 -2.740 -3.151 1.00 0.00 O ATOM 364 CG2 THR A 28 -15.701 -1.356 -1.308 1.00 0.00 C ATOM 0 H THR A 28 -13.803 -3.869 -4.099 1.00 0.00 H new ATOM 0 HA THR A 28 -14.308 -0.990 -3.484 1.00 0.00 H new ATOM 0 HB THR A 28 -14.994 -3.338 -1.746 1.00 0.00 H new ATOM 0 HG1 THR A 28 -17.174 -3.023 -2.602 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.551 -1.699 -0.719 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.865 -1.137 -0.644 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.978 -0.454 -1.853 1.00 0.00 H new ATOM 372 N GLN A 29 -11.899 -1.140 -2.742 1.00 0.00 N ATOM 373 CA GLN A 29 -10.567 -0.975 -2.136 1.00 0.00 C ATOM 374 C GLN A 29 -10.621 -0.299 -0.753 1.00 0.00 C ATOM 375 O GLN A 29 -10.942 0.884 -0.650 1.00 0.00 O ATOM 376 CB GLN A 29 -9.649 -0.186 -3.085 1.00 0.00 C ATOM 377 CG GLN A 29 -9.217 -0.967 -4.327 1.00 0.00 C ATOM 378 CD GLN A 29 -10.328 -1.287 -5.330 1.00 0.00 C ATOM 379 OE1 GLN A 29 -11.294 -0.556 -5.530 1.00 0.00 O ATOM 380 NE2 GLN A 29 -10.195 -2.408 -6.004 1.00 0.00 N ATOM 0 H GLN A 29 -12.075 -0.490 -3.508 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.159 -1.974 -1.981 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.164 0.722 -3.400 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.760 0.126 -2.537 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.442 -0.397 -4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.763 -1.904 -4.005 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.391 -3.012 -5.835 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.896 -2.673 -6.696 1.00 0.00 H new ATOM 389 N SER A 30 -10.570 -1.137 0.277 1.00 0.00 N ATOM 390 CA SER A 30 -10.406 -0.730 1.696 1.00 0.00 C ATOM 391 C SER A 30 -10.133 -1.928 2.612 1.00 0.00 C ATOM 392 O SER A 30 -10.696 -3.005 2.439 1.00 0.00 O ATOM 393 CB SER A 30 -11.601 0.048 2.254 1.00 0.00 C ATOM 394 OG SER A 30 -12.836 -0.618 1.998 1.00 0.00 O ATOM 0 H SER A 30 -10.642 -2.148 0.161 1.00 0.00 H new ATOM 0 HA SER A 30 -9.542 -0.066 1.688 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.477 0.182 3.329 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.626 1.043 1.809 1.00 0.00 H new ATOM 0 HG SER A 30 -13.574 -0.092 2.370 1.00 0.00 H new ATOM 400 N LEU A 31 -9.129 -1.749 3.478 1.00 0.00 N ATOM 401 CA LEU A 31 -8.701 -2.746 4.487 1.00 0.00 C ATOM 402 C LEU A 31 -8.225 -2.058 5.780 1.00 0.00 C ATOM 403 O LEU A 31 -7.518 -1.053 5.679 1.00 0.00 O ATOM 404 CB LEU A 31 -7.552 -3.611 3.957 1.00 0.00 C ATOM 405 CG LEU A 31 -7.874 -4.549 2.788 1.00 0.00 C ATOM 406 CD1 LEU A 31 -6.609 -5.334 2.420 1.00 0.00 C ATOM 407 CD2 LEU A 31 -8.999 -5.542 3.123 1.00 0.00 C ATOM 0 H LEU A 31 -8.575 -0.893 3.504 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.568 -3.372 4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.743 -2.949 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.173 -4.214 4.782 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.215 -3.935 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.826 -6.005 1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.821 -4.639 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.279 -5.917 3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.187 -6.183 2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.701 -6.156 3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.907 -4.993 3.372 1.00 0.00 H new ATOM 419 N PRO A 32 -8.443 -2.656 6.959 1.00 0.00 N ATOM 420 CA PRO A 32 -7.989 -2.103 8.250 1.00 0.00 C ATOM 421 C PRO A 32 -6.467 -1.916 8.400 1.00 0.00 C ATOM 422 O PRO A 32 -6.023 -1.156 9.257 1.00 0.00 O ATOM 423 CB PRO A 32 -8.554 -3.043 9.316 1.00 0.00 C ATOM 424 CG PRO A 32 -8.714 -4.369 8.578 1.00 0.00 C ATOM 425 CD PRO A 32 -9.138 -3.939 7.175 1.00 0.00 C ATOM 0 HA PRO A 32 -8.355 -1.081 8.345 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.879 -3.137 10.166 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.507 -2.683 9.704 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.783 -4.935 8.561 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.465 -5.004 9.049 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.849 -4.678 6.428 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.219 -3.822 7.105 1.00 0.00 H new ATOM 433 N ASN A 33 -5.691 -2.707 7.654 1.00 0.00 N ATOM 434 CA ASN A 33 -4.211 -2.627 7.568 1.00 0.00 C ATOM 435 C ASN A 33 -3.746 -1.276 6.993 1.00 0.00 C ATOM 436 O ASN A 33 -3.465 -1.134 5.806 1.00 0.00 O ATOM 437 CB ASN A 33 -3.683 -3.788 6.698 1.00 0.00 C ATOM 438 CG ASN A 33 -4.403 -5.119 6.940 1.00 0.00 C ATOM 439 OD1 ASN A 33 -5.416 -5.391 6.142 1.00 0.00 O flip ATOM 440 ND2 ASN A 33 -4.099 -5.888 7.832 1.00 0.00 N flip ATOM 0 H ASN A 33 -6.078 -3.448 7.070 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.806 -2.709 8.577 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.784 -3.517 5.647 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.619 -3.921 6.893 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.314 -5.672 8.446 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.629 -6.749 7.966 1.00 0.00 H new ATOM 447 N MET A 34 -3.712 -0.283 7.883 1.00 0.00 N ATOM 448 CA MET A 34 -3.388 1.120 7.543 1.00 0.00 C ATOM 449 C MET A 34 -2.197 1.637 8.380 1.00 0.00 C ATOM 450 O MET A 34 -2.353 2.101 9.501 1.00 0.00 O ATOM 451 CB MET A 34 -4.678 1.930 7.758 1.00 0.00 C ATOM 452 CG MET A 34 -4.673 3.370 7.226 1.00 0.00 C ATOM 453 SD MET A 34 -3.708 4.582 8.209 1.00 0.00 S ATOM 454 CE MET A 34 -4.655 4.619 9.710 1.00 0.00 C ATOM 0 H MET A 34 -3.910 -0.423 8.874 1.00 0.00 H new ATOM 0 HA MET A 34 -3.062 1.219 6.507 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.501 1.394 7.286 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.889 1.961 8.827 1.00 0.00 H new ATOM 0 HG2 MET A 34 -4.280 3.360 6.209 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.704 3.718 7.166 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.391 5.507 10.285 1.00 0.00 H new ATOM 0 HE2 MET A 34 -5.718 4.645 9.469 1.00 0.00 H new ATOM 0 HE3 MET A 34 -4.438 3.728 10.299 1.00 0.00 H new ATOM 464 N ILE A 35 -1.001 1.433 7.810 1.00 0.00 N ATOM 465 CA ILE A 35 0.303 1.894 8.336 1.00 0.00 C ATOM 466 C ILE A 35 1.471 1.435 7.433 1.00 0.00 C ATOM 467 O ILE A 35 1.563 0.269 7.046 1.00 0.00 O ATOM 468 CB ILE A 35 0.532 1.514 9.821 1.00 0.00 C ATOM 469 CG1 ILE A 35 1.788 2.213 10.386 1.00 0.00 C ATOM 470 CG2 ILE A 35 0.554 -0.013 10.049 1.00 0.00 C ATOM 471 CD1 ILE A 35 1.829 2.285 11.915 1.00 0.00 C ATOM 0 H ILE A 35 -0.906 0.921 6.933 1.00 0.00 H new ATOM 0 HA ILE A 35 0.275 2.983 8.312 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.327 1.882 10.383 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.674 1.685 10.034 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.839 3.225 9.984 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.718 -0.221 11.106 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.399 -0.441 9.738 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.359 -0.457 9.463 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.742 2.790 12.231 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.963 2.840 12.276 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.811 1.276 12.327 1.00 0.00 H new ATOM 483 N ILE A 36 2.373 2.378 7.150 1.00 0.00 N ATOM 484 CA ILE A 36 3.640 2.062 6.457 1.00 0.00 C ATOM 485 C ILE A 36 4.785 2.148 7.471 1.00 0.00 C ATOM 486 O ILE A 36 5.195 3.250 7.857 1.00 0.00 O ATOM 487 CB ILE A 36 3.963 2.977 5.261 1.00 0.00 C ATOM 488 CG1 ILE A 36 2.748 3.259 4.352 1.00 0.00 C ATOM 489 CG2 ILE A 36 5.063 2.293 4.435 1.00 0.00 C ATOM 490 CD1 ILE A 36 2.967 4.463 3.430 1.00 0.00 C ATOM 0 H ILE A 36 2.258 3.364 7.386 1.00 0.00 H new ATOM 0 HA ILE A 36 3.524 1.059 6.046 1.00 0.00 H new ATOM 0 HB ILE A 36 4.280 3.942 5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.539 2.377 3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.869 3.436 4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.316 2.917 3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.949 2.152 5.055 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.706 1.324 4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.081 4.615 2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.148 5.354 4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.828 4.278 2.788 1.00 0.00 H new ATOM 502 N LEU A 37 5.207 0.979 7.934 1.00 0.00 N ATOM 503 CA LEU A 37 6.372 0.826 8.831 1.00 0.00 C ATOM 504 C LEU A 37 7.686 1.171 8.099 1.00 0.00 C ATOM 505 O LEU A 37 7.750 1.128 6.866 1.00 0.00 O ATOM 506 CB LEU A 37 6.382 -0.623 9.350 1.00 0.00 C ATOM 507 CG LEU A 37 7.432 -0.909 10.434 1.00 0.00 C ATOM 508 CD1 LEU A 37 7.094 -0.192 11.751 1.00 0.00 C ATOM 509 CD2 LEU A 37 7.548 -2.415 10.657 1.00 0.00 C ATOM 0 H LEU A 37 4.754 0.095 7.702 1.00 0.00 H new ATOM 0 HA LEU A 37 6.293 1.518 9.669 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.395 -0.859 9.748 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.555 -1.295 8.509 1.00 0.00 H new ATOM 0 HG LEU A 37 8.391 -0.522 10.090 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.858 -0.417 12.495 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.059 0.884 11.581 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.124 -0.534 12.113 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.294 -2.612 11.427 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.584 -2.811 10.976 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.849 -2.898 9.728 1.00 0.00 H new ATOM 521 N ASN A 38 8.679 1.597 8.870 1.00 0.00 N ATOM 522 CA ASN A 38 10.023 1.910 8.350 1.00 0.00 C ATOM 523 C ASN A 38 11.154 1.249 9.135 1.00 0.00 C ATOM 524 O ASN A 38 10.963 0.738 10.244 1.00 0.00 O ATOM 525 CB ASN A 38 10.263 3.429 8.300 1.00 0.00 C ATOM 526 CG ASN A 38 10.358 4.157 9.638 1.00 0.00 C ATOM 527 OD1 ASN A 38 11.167 3.853 10.504 1.00 0.00 O ATOM 528 ND2 ASN A 38 9.651 5.259 9.728 1.00 0.00 N ATOM 0 H ASN A 38 8.585 1.738 9.876 1.00 0.00 H new ATOM 0 HA ASN A 38 10.041 1.496 7.342 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.187 3.609 7.750 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.456 3.881 7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.771 5.878 10.530 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.981 5.496 8.996 1.00 0.00 H new ATOM 535 N ILE A 39 12.296 1.168 8.461 1.00 0.00 N ATOM 536 CA ILE A 39 13.610 1.028 9.132 1.00 0.00 C ATOM 537 C ILE A 39 14.486 2.229 8.718 1.00 0.00 C ATOM 538 O ILE A 39 15.174 2.212 7.701 1.00 0.00 O ATOM 539 CB ILE A 39 14.220 -0.379 8.905 1.00 0.00 C ATOM 540 CG1 ILE A 39 15.547 -0.569 9.657 1.00 0.00 C ATOM 541 CG2 ILE A 39 14.354 -0.797 7.431 1.00 0.00 C ATOM 542 CD1 ILE A 39 15.361 -0.635 11.175 1.00 0.00 C ATOM 0 H ILE A 39 12.352 1.196 7.443 1.00 0.00 H new ATOM 0 HA ILE A 39 13.517 1.072 10.217 1.00 0.00 H new ATOM 0 HB ILE A 39 13.482 -1.058 9.333 1.00 0.00 H new ATOM 0 HG12 ILE A 39 16.027 -1.486 9.314 1.00 0.00 H new ATOM 0 HG13 ILE A 39 16.219 0.253 9.413 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.790 -1.794 7.374 1.00 0.00 H new ATOM 0 HG22 ILE A 39 13.369 -0.804 6.964 1.00 0.00 H new ATOM 0 HG23 ILE A 39 14.998 -0.089 6.909 1.00 0.00 H new ATOM 0 HD11 ILE A 39 16.330 -0.770 11.655 1.00 0.00 H new ATOM 0 HD12 ILE A 39 14.908 0.292 11.527 1.00 0.00 H new ATOM 0 HD13 ILE A 39 14.712 -1.474 11.426 1.00 0.00 H new ATOM 554 N GLY A 40 14.167 3.351 9.373 1.00 0.00 N ATOM 555 CA GLY A 40 14.779 4.663 9.080 1.00 0.00 C ATOM 556 C GLY A 40 14.081 5.347 7.902 1.00 0.00 C ATOM 557 O GLY A 40 12.855 5.358 7.810 1.00 0.00 O ATOM 0 H GLY A 40 13.477 3.381 10.123 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.719 5.301 9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 40 15.837 4.532 8.853 1.00 0.00 H new ATOM 561 N ASN A 41 14.888 5.913 7.005 1.00 0.00 N ATOM 562 CA ASN A 41 14.450 6.630 5.782 1.00 0.00 C ATOM 563 C ASN A 41 13.831 5.739 4.677 1.00 0.00 C ATOM 564 O ASN A 41 13.861 6.064 3.487 1.00 0.00 O ATOM 565 CB ASN A 41 15.659 7.394 5.206 1.00 0.00 C ATOM 566 CG ASN A 41 16.276 8.367 6.217 1.00 0.00 C ATOM 567 OD1 ASN A 41 17.110 7.989 7.036 1.00 0.00 O ATOM 568 ND2 ASN A 41 15.828 9.598 6.214 1.00 0.00 N ATOM 0 H ASN A 41 15.903 5.891 7.103 1.00 0.00 H new ATOM 0 HA ASN A 41 13.646 7.296 6.093 1.00 0.00 H new ATOM 0 HB2 ASN A 41 16.417 6.679 4.886 1.00 0.00 H new ATOM 0 HB3 ASN A 41 15.347 7.946 4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 41 16.172 10.268 6.902 1.00 0.00 H new ATOM 0 HD22 ASN A 41 15.135 9.887 5.523 1.00 0.00 H new ATOM 575 N THR A 42 13.143 4.683 5.104 1.00 0.00 N ATOM 576 CA THR A 42 12.647 3.601 4.217 1.00 0.00 C ATOM 577 C THR A 42 11.158 3.318 4.435 1.00 0.00 C ATOM 578 O THR A 42 10.527 3.865 5.342 1.00 0.00 O ATOM 579 CB THR A 42 13.396 2.284 4.458 1.00 0.00 C ATOM 580 OG1 THR A 42 13.287 1.902 5.832 1.00 0.00 O ATOM 581 CG2 THR A 42 14.864 2.337 4.010 1.00 0.00 C ATOM 0 H THR A 42 12.904 4.541 6.085 1.00 0.00 H new ATOM 0 HA THR A 42 12.817 3.957 3.201 1.00 0.00 H new ATOM 0 HB THR A 42 12.921 1.525 3.837 1.00 0.00 H new ATOM 0 HG1 THR A 42 14.164 1.975 6.262 1.00 0.00 H new ATOM 0 HG21 THR A 42 15.339 1.376 4.207 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.911 2.553 2.943 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.385 3.119 4.562 1.00 0.00 H new ATOM 589 N THR A 43 10.581 2.585 3.492 1.00 0.00 N ATOM 590 CA THR A 43 9.328 1.842 3.700 1.00 0.00 C ATOM 591 C THR A 43 9.651 0.360 3.890 1.00 0.00 C ATOM 592 O THR A 43 10.646 -0.137 3.358 1.00 0.00 O ATOM 593 CB THR A 43 8.336 1.935 2.529 1.00 0.00 C ATOM 594 OG1 THR A 43 8.900 1.409 1.322 1.00 0.00 O ATOM 595 CG2 THR A 43 7.837 3.364 2.322 1.00 0.00 C ATOM 0 H THR A 43 10.965 2.483 2.553 1.00 0.00 H new ATOM 0 HA THR A 43 8.859 2.295 4.574 1.00 0.00 H new ATOM 0 HB THR A 43 7.474 1.321 2.791 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.180 1.123 0.722 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.138 3.388 1.486 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.333 3.708 3.225 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.683 4.017 2.107 1.00 0.00 H new ATOM 603 N ILE A 44 8.921 -0.265 4.798 1.00 0.00 N ATOM 604 CA ILE A 44 8.854 -1.738 4.888 1.00 0.00 C ATOM 605 C ILE A 44 7.392 -2.171 5.066 1.00 0.00 C ATOM 606 O ILE A 44 6.797 -2.017 6.135 1.00 0.00 O ATOM 607 CB ILE A 44 9.881 -2.315 5.891 1.00 0.00 C ATOM 608 CG1 ILE A 44 9.861 -3.852 5.836 1.00 0.00 C ATOM 609 CG2 ILE A 44 9.707 -1.758 7.315 1.00 0.00 C ATOM 610 CD1 ILE A 44 11.132 -4.505 6.396 1.00 0.00 C ATOM 0 H ILE A 44 8.356 0.219 5.496 1.00 0.00 H new ATOM 0 HA ILE A 44 9.178 -2.193 3.952 1.00 0.00 H new ATOM 0 HB ILE A 44 10.874 -1.983 5.588 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.999 -4.216 6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.726 -4.168 4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.456 -2.200 7.973 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.831 -0.675 7.300 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.711 -2.004 7.683 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.046 -5.589 6.324 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.996 -4.171 5.822 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.258 -4.219 7.440 1.00 0.00 H new ATOM 622 N ILE A 45 6.779 -2.430 3.916 1.00 0.00 N ATOM 623 CA ILE A 45 5.355 -2.798 3.848 1.00 0.00 C ATOM 624 C ILE A 45 5.053 -4.089 3.060 1.00 0.00 C ATOM 625 O ILE A 45 5.688 -4.398 2.044 1.00 0.00 O ATOM 626 CB ILE A 45 4.540 -1.543 3.450 1.00 0.00 C ATOM 627 CG1 ILE A 45 3.462 -1.195 4.495 1.00 0.00 C ATOM 628 CG2 ILE A 45 4.014 -1.496 1.998 1.00 0.00 C ATOM 629 CD1 ILE A 45 2.375 -2.246 4.772 1.00 0.00 C ATOM 0 H ILE A 45 7.243 -2.393 3.008 1.00 0.00 H new ATOM 0 HA ILE A 45 5.019 -3.105 4.838 1.00 0.00 H new ATOM 0 HB ILE A 45 5.281 -0.743 3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.965 -0.976 5.437 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.968 -0.277 4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.460 -0.570 1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.854 -1.538 1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.356 -2.347 1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.686 -1.867 5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.827 -2.454 3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.840 -3.163 5.133 1.00 0.00 H new ATOM 641 N ARG A 46 4.076 -4.812 3.598 1.00 0.00 N ATOM 642 CA ARG A 46 3.512 -6.041 3.019 1.00 0.00 C ATOM 643 C ARG A 46 2.242 -5.823 2.171 1.00 0.00 C ATOM 644 O ARG A 46 2.142 -6.340 1.055 1.00 0.00 O ATOM 645 CB ARG A 46 3.283 -7.075 4.127 1.00 0.00 C ATOM 646 CG ARG A 46 2.375 -6.616 5.279 1.00 0.00 C ATOM 647 CD ARG A 46 2.495 -7.512 6.509 1.00 0.00 C ATOM 648 NE ARG A 46 3.806 -7.325 7.141 1.00 0.00 N ATOM 649 CZ ARG A 46 4.046 -6.855 8.368 1.00 0.00 C ATOM 650 NH1 ARG A 46 3.059 -6.563 9.219 1.00 0.00 N ATOM 651 NH2 ARG A 46 5.283 -6.699 8.790 1.00 0.00 N ATOM 0 H ARG A 46 3.635 -4.555 4.481 1.00 0.00 H new ATOM 0 HA ARG A 46 4.249 -6.419 2.310 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.851 -7.971 3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.250 -7.360 4.541 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.630 -5.592 5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.339 -6.607 4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.703 -7.276 7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.366 -8.556 6.223 1.00 0.00 H new ATOM 0 HE ARG A 46 4.621 -7.581 6.584 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.088 -6.697 8.939 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.277 -6.206 10.149 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.064 -6.937 8.179 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.460 -6.340 9.728 1.00 0.00 H new ATOM 665 N ASN A 47 1.342 -4.953 2.633 1.00 0.00 N ATOM 666 CA ASN A 47 0.077 -4.620 1.929 1.00 0.00 C ATOM 667 C ASN A 47 0.232 -3.703 0.691 1.00 0.00 C ATOM 668 O ASN A 47 -0.759 -3.162 0.196 1.00 0.00 O ATOM 669 CB ASN A 47 -0.895 -3.984 2.924 1.00 0.00 C ATOM 670 CG ASN A 47 -1.179 -4.880 4.135 1.00 0.00 C ATOM 671 OD1 ASN A 47 -0.426 -4.920 5.088 1.00 0.00 O ATOM 672 ND2 ASN A 47 -2.243 -5.647 4.083 1.00 0.00 N ATOM 0 H ASN A 47 1.460 -4.449 3.512 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.304 -5.564 1.538 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.485 -3.035 3.269 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.833 -3.760 2.416 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.447 -6.288 4.849 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.865 -5.602 3.276 1.00 0.00 H new ATOM 679 N PHE A 48 1.402 -3.746 0.036 1.00 0.00 N ATOM 680 CA PHE A 48 1.752 -2.799 -1.053 1.00 0.00 C ATOM 681 C PHE A 48 0.822 -2.817 -2.274 1.00 0.00 C ATOM 682 O PHE A 48 0.389 -1.756 -2.716 1.00 0.00 O ATOM 683 CB PHE A 48 3.226 -2.937 -1.488 1.00 0.00 C ATOM 684 CG PHE A 48 3.622 -4.351 -1.932 1.00 0.00 C ATOM 685 CD1 PHE A 48 3.450 -4.753 -3.264 1.00 0.00 C ATOM 686 CD2 PHE A 48 3.993 -5.288 -0.957 1.00 0.00 C ATOM 687 CE1 PHE A 48 3.620 -6.102 -3.610 1.00 0.00 C ATOM 688 CE2 PHE A 48 4.138 -6.636 -1.301 1.00 0.00 C ATOM 689 CZ PHE A 48 3.957 -7.044 -2.632 1.00 0.00 C ATOM 0 H PHE A 48 2.132 -4.429 0.238 1.00 0.00 H new ATOM 0 HA PHE A 48 1.601 -1.820 -0.597 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.417 -2.244 -2.307 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.867 -2.636 -0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.188 -4.028 -4.020 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.167 -4.969 0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.490 -6.415 -4.636 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.389 -7.363 -0.543 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.078 -8.083 -2.901 1.00 0.00 H new ATOM 699 N ALA A 49 0.399 -4.010 -2.707 1.00 0.00 N ATOM 700 CA ALA A 49 -0.591 -4.172 -3.794 1.00 0.00 C ATOM 701 C ALA A 49 -1.913 -3.435 -3.498 1.00 0.00 C ATOM 702 O ALA A 49 -2.290 -2.514 -4.216 1.00 0.00 O ATOM 703 CB ALA A 49 -0.840 -5.663 -4.038 1.00 0.00 C ATOM 0 H ALA A 49 0.729 -4.894 -2.318 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.179 -3.718 -4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.569 -5.784 -4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.095 -6.146 -4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.223 -6.122 -3.126 1.00 0.00 H new ATOM 709 N GLU A 50 -2.478 -3.702 -2.318 1.00 0.00 N ATOM 710 CA GLU A 50 -3.669 -2.973 -1.831 1.00 0.00 C ATOM 711 C GLU A 50 -3.410 -1.489 -1.559 1.00 0.00 C ATOM 712 O GLU A 50 -4.248 -0.676 -1.930 1.00 0.00 O ATOM 713 CB GLU A 50 -4.319 -3.663 -0.630 1.00 0.00 C ATOM 714 CG GLU A 50 -5.630 -4.338 -1.043 1.00 0.00 C ATOM 715 CD GLU A 50 -6.762 -3.346 -1.340 1.00 0.00 C ATOM 716 OE1 GLU A 50 -6.810 -2.873 -2.498 1.00 0.00 O ATOM 717 OE2 GLU A 50 -7.568 -3.103 -0.418 1.00 0.00 O ATOM 0 H GLU A 50 -2.135 -4.417 -1.676 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.383 -3.006 -2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.636 -4.405 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.511 -2.933 0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.452 -4.949 -1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.948 -5.013 -0.248 1.00 0.00 H new ATOM 724 N TYR A 51 -2.235 -1.135 -1.059 1.00 0.00 N ATOM 725 CA TYR A 51 -1.797 0.274 -0.913 1.00 0.00 C ATOM 726 C TYR A 51 -1.831 1.063 -2.232 1.00 0.00 C ATOM 727 O TYR A 51 -2.473 2.106 -2.296 1.00 0.00 O ATOM 728 CB TYR A 51 -0.380 0.339 -0.326 1.00 0.00 C ATOM 729 CG TYR A 51 -0.401 0.748 1.140 1.00 0.00 C ATOM 730 CD1 TYR A 51 -0.555 2.105 1.469 1.00 0.00 C ATOM 731 CD2 TYR A 51 -0.174 -0.196 2.158 1.00 0.00 C ATOM 732 CE1 TYR A 51 -0.481 2.511 2.809 1.00 0.00 C ATOM 733 CE2 TYR A 51 -0.120 0.221 3.491 1.00 0.00 C ATOM 734 CZ TYR A 51 -0.272 1.571 3.814 1.00 0.00 C ATOM 735 OH TYR A 51 -0.400 1.922 5.113 1.00 0.00 O ATOM 0 H TYR A 51 -1.543 -1.811 -0.737 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.512 0.740 -0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.101 -0.634 -0.426 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.218 1.051 -0.895 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.730 2.834 0.692 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.042 -1.239 1.911 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.586 3.556 3.062 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.040 -0.504 4.275 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.657 2.866 5.173 1.00 0.00 H new ATOM 745 N CYS A 52 -1.293 0.461 -3.286 1.00 0.00 N ATOM 746 CA CYS A 52 -1.314 1.003 -4.669 1.00 0.00 C ATOM 747 C CYS A 52 -2.718 1.194 -5.268 1.00 0.00 C ATOM 748 O CYS A 52 -2.915 1.999 -6.177 1.00 0.00 O ATOM 749 CB CYS A 52 -0.462 0.100 -5.568 1.00 0.00 C ATOM 750 SG CYS A 52 1.310 0.113 -5.121 1.00 0.00 S ATOM 0 H CYS A 52 -0.816 -0.438 -3.218 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.898 2.009 -4.615 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.838 -0.921 -5.509 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.572 0.421 -6.604 1.00 0.00 H new ATOM 0 HG CYS A 52 2.021 -0.232 -6.154 1.00 0.00 H new ATOM 756 N ASP A 53 -3.661 0.373 -4.809 1.00 0.00 N ATOM 757 CA ASP A 53 -5.096 0.514 -5.143 1.00 0.00 C ATOM 758 C ASP A 53 -5.911 1.429 -4.207 1.00 0.00 C ATOM 759 O ASP A 53 -6.944 1.971 -4.611 1.00 0.00 O ATOM 760 CB ASP A 53 -5.735 -0.871 -5.246 1.00 0.00 C ATOM 761 CG ASP A 53 -5.334 -1.569 -6.550 1.00 0.00 C ATOM 762 OD1 ASP A 53 -4.260 -2.199 -6.553 1.00 0.00 O ATOM 763 OD2 ASP A 53 -6.175 -1.535 -7.479 1.00 0.00 O ATOM 0 H ASP A 53 -3.461 -0.414 -4.192 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.125 1.026 -6.105 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.429 -1.480 -4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.820 -0.779 -5.198 1.00 0.00 H new ATOM 768 N ARG A 54 -5.499 1.530 -2.951 1.00 0.00 N ATOM 769 CA ARG A 54 -6.133 2.413 -1.947 1.00 0.00 C ATOM 770 C ARG A 54 -5.618 3.868 -1.925 1.00 0.00 C ATOM 771 O ARG A 54 -6.187 4.715 -1.231 1.00 0.00 O ATOM 772 CB ARG A 54 -6.030 1.764 -0.559 1.00 0.00 C ATOM 773 CG ARG A 54 -6.830 0.460 -0.437 1.00 0.00 C ATOM 774 CD ARG A 54 -6.608 -0.233 0.918 1.00 0.00 C ATOM 775 NE ARG A 54 -5.194 -0.606 1.074 1.00 0.00 N ATOM 776 CZ ARG A 54 -4.612 -1.122 2.159 1.00 0.00 C ATOM 777 NH1 ARG A 54 -5.199 -1.128 3.351 1.00 0.00 N ATOM 778 NH2 ARG A 54 -3.315 -1.389 2.148 1.00 0.00 N ATOM 0 H ARG A 54 -4.708 1.001 -2.584 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.176 2.510 -2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.982 1.561 -0.337 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.384 2.471 0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.891 0.674 -0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.542 -0.217 -1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.907 0.432 1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.235 -1.122 0.987 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.592 -0.454 0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.131 -0.728 3.463 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.718 -1.533 4.154 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.763 -1.200 1.312 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.868 -1.783 2.976 1.00 0.00 H new ATOM 792 N ILE A 55 -4.438 4.115 -2.504 1.00 0.00 N ATOM 793 CA ILE A 55 -3.947 5.483 -2.796 1.00 0.00 C ATOM 794 C ILE A 55 -4.917 6.263 -3.712 1.00 0.00 C ATOM 795 O ILE A 55 -5.287 7.388 -3.392 1.00 0.00 O ATOM 796 CB ILE A 55 -2.484 5.482 -3.313 1.00 0.00 C ATOM 797 CG1 ILE A 55 -1.931 6.880 -3.624 1.00 0.00 C ATOM 798 CG2 ILE A 55 -2.238 4.588 -4.523 1.00 0.00 C ATOM 799 CD1 ILE A 55 -1.647 7.717 -2.375 1.00 0.00 C ATOM 0 H ILE A 55 -3.791 3.379 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.926 6.026 -1.851 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.944 5.066 -2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.011 6.778 -4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.644 7.412 -4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.189 4.650 -4.814 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.483 3.557 -4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.865 4.917 -5.352 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.259 8.692 -2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.569 7.850 -1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.911 7.206 -1.754 1.00 0.00 H new ATOM 811 N ARG A 56 -5.194 5.679 -4.892 1.00 0.00 N ATOM 812 CA ARG A 56 -6.194 6.148 -5.871 1.00 0.00 C ATOM 813 C ARG A 56 -6.367 5.149 -7.035 1.00 0.00 C ATOM 814 O ARG A 56 -6.422 5.495 -8.213 1.00 0.00 O ATOM 815 CB ARG A 56 -5.853 7.560 -6.387 1.00 0.00 C ATOM 816 CG ARG A 56 -7.114 8.282 -6.860 1.00 0.00 C ATOM 817 CD ARG A 56 -8.041 8.594 -5.679 1.00 0.00 C ATOM 818 NE ARG A 56 -9.383 8.905 -6.191 1.00 0.00 N ATOM 819 CZ ARG A 56 -10.458 9.201 -5.455 1.00 0.00 C ATOM 820 NH1 ARG A 56 -10.403 9.368 -4.140 1.00 0.00 N ATOM 821 NH2 ARG A 56 -11.618 9.368 -6.059 1.00 0.00 N ATOM 0 H ARG A 56 -4.710 4.836 -5.202 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.151 6.208 -5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.374 8.136 -5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.139 7.490 -7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.840 9.207 -7.367 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.640 7.664 -7.588 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.085 7.742 -5.000 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.652 9.437 -5.108 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.505 8.894 -7.204 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.513 9.271 -3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.250 9.593 -3.619 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.684 9.271 -7.072 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.449 9.594 -5.513 1.00 0.00 H new ATOM 835 N ARG A 57 -6.507 3.865 -6.656 1.00 0.00 N ATOM 836 CA ARG A 57 -6.571 2.664 -7.533 1.00 0.00 C ATOM 837 C ARG A 57 -5.332 2.401 -8.414 1.00 0.00 C ATOM 838 O ARG A 57 -4.768 1.308 -8.412 1.00 0.00 O ATOM 839 CB ARG A 57 -7.851 2.602 -8.373 1.00 0.00 C ATOM 840 CG ARG A 57 -9.142 2.453 -7.563 1.00 0.00 C ATOM 841 CD ARG A 57 -9.666 3.790 -7.036 1.00 0.00 C ATOM 842 NE ARG A 57 -10.895 3.594 -6.252 1.00 0.00 N ATOM 843 CZ ARG A 57 -11.639 4.557 -5.685 1.00 0.00 C ATOM 844 NH1 ARG A 57 -11.264 5.826 -5.637 1.00 0.00 N ATOM 845 NH2 ARG A 57 -12.743 4.215 -5.039 1.00 0.00 N ATOM 0 H ARG A 57 -6.584 3.615 -5.670 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.586 1.850 -6.809 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.918 3.508 -8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.774 1.764 -9.066 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.906 1.989 -8.187 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.964 1.781 -6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.906 4.266 -6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.864 4.463 -7.870 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.213 2.633 -6.127 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.372 6.110 -6.043 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.867 6.520 -5.194 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.015 3.234 -4.979 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.321 4.933 -4.602 1.00 0.00 H new ATOM 859 N GLU A 58 -4.924 3.440 -9.129 1.00 0.00 N ATOM 860 CA GLU A 58 -3.781 3.458 -10.059 1.00 0.00 C ATOM 861 C GLU A 58 -2.426 3.369 -9.329 1.00 0.00 C ATOM 862 O GLU A 58 -1.902 4.357 -8.818 1.00 0.00 O ATOM 863 CB GLU A 58 -3.829 4.719 -10.929 1.00 0.00 C ATOM 864 CG GLU A 58 -5.027 4.714 -11.888 1.00 0.00 C ATOM 865 CD GLU A 58 -5.119 6.033 -12.671 1.00 0.00 C ATOM 866 OE1 GLU A 58 -4.457 6.097 -13.729 1.00 0.00 O ATOM 867 OE2 GLU A 58 -5.814 6.935 -12.170 1.00 0.00 O ATOM 0 H GLU A 58 -5.398 4.342 -9.081 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.866 2.573 -10.690 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.882 5.599 -10.288 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.906 4.798 -11.503 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.935 3.881 -12.584 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.947 4.558 -11.324 1.00 0.00 H new ATOM 874 N ASP A 59 -1.857 2.164 -9.358 1.00 0.00 N ATOM 875 CA ASP A 59 -0.460 1.904 -8.940 1.00 0.00 C ATOM 876 C ASP A 59 0.550 2.975 -9.408 1.00 0.00 C ATOM 877 O ASP A 59 1.410 3.381 -8.635 1.00 0.00 O ATOM 878 CB ASP A 59 -0.049 0.516 -9.469 1.00 0.00 C ATOM 879 CG ASP A 59 1.361 0.085 -9.057 1.00 0.00 C ATOM 880 OD1 ASP A 59 2.298 0.494 -9.772 1.00 0.00 O ATOM 881 OD2 ASP A 59 1.471 -0.693 -8.079 1.00 0.00 O ATOM 0 H ASP A 59 -2.348 1.327 -9.673 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.433 1.941 -7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.764 -0.225 -9.110 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.113 0.520 -10.557 1.00 0.00 H new ATOM 886 N LYS A 60 0.354 3.487 -10.625 1.00 0.00 N ATOM 887 CA LYS A 60 1.183 4.549 -11.225 1.00 0.00 C ATOM 888 C LYS A 60 1.272 5.847 -10.396 1.00 0.00 C ATOM 889 O LYS A 60 2.358 6.396 -10.278 1.00 0.00 O ATOM 890 CB LYS A 60 0.684 4.824 -12.650 1.00 0.00 C ATOM 891 CG LYS A 60 1.664 5.680 -13.452 1.00 0.00 C ATOM 892 CD LYS A 60 1.241 5.882 -14.914 1.00 0.00 C ATOM 893 CE LYS A 60 1.394 4.601 -15.748 1.00 0.00 C ATOM 894 NZ LYS A 60 1.061 4.852 -17.155 1.00 0.00 N ATOM 0 H LYS A 60 -0.399 3.173 -11.238 1.00 0.00 H new ATOM 0 HA LYS A 60 2.208 4.178 -11.244 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.525 3.877 -13.166 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.282 5.328 -12.604 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.762 6.654 -12.972 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.648 5.212 -13.427 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.203 6.212 -14.947 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.842 6.676 -15.358 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.417 4.232 -15.672 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.744 3.822 -15.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.171 3.973 -17.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.077 5.182 -17.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.698 5.579 -17.538 1.00 0.00 H new ATOM 908 N ILE A 61 0.178 6.259 -9.738 1.00 0.00 N ATOM 909 CA ILE A 61 0.212 7.478 -8.896 1.00 0.00 C ATOM 910 C ILE A 61 1.077 7.295 -7.625 1.00 0.00 C ATOM 911 O ILE A 61 1.959 8.119 -7.349 1.00 0.00 O ATOM 912 CB ILE A 61 -1.200 8.054 -8.656 1.00 0.00 C ATOM 913 CG1 ILE A 61 -1.134 9.507 -8.193 1.00 0.00 C ATOM 914 CG2 ILE A 61 -2.060 7.239 -7.679 1.00 0.00 C ATOM 915 CD1 ILE A 61 -0.635 10.470 -9.270 1.00 0.00 C ATOM 0 H ILE A 61 -0.724 5.784 -9.766 1.00 0.00 H new ATOM 0 HA ILE A 61 0.731 8.256 -9.455 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.693 7.994 -9.627 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.126 9.821 -7.868 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.478 9.574 -7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.035 7.714 -7.569 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.191 6.228 -8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.566 7.195 -6.708 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.614 11.484 -8.870 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.370 10.181 -9.579 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.304 10.433 -10.130 1.00 0.00 H new ATOM 927 N CYS A 62 0.981 6.110 -7.029 1.00 0.00 N ATOM 928 CA CYS A 62 1.874 5.659 -5.935 1.00 0.00 C ATOM 929 C CYS A 62 3.340 5.615 -6.402 1.00 0.00 C ATOM 930 O CYS A 62 4.217 6.148 -5.732 1.00 0.00 O ATOM 931 CB CYS A 62 1.414 4.264 -5.468 1.00 0.00 C ATOM 932 SG CYS A 62 2.360 3.596 -4.050 1.00 0.00 S ATOM 0 H CYS A 62 0.277 5.418 -7.286 1.00 0.00 H new ATOM 0 HA CYS A 62 1.816 6.365 -5.107 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.360 4.314 -5.196 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.495 3.569 -6.304 1.00 0.00 H new ATOM 0 HG CYS A 62 2.260 2.300 -4.034 1.00 0.00 H new ATOM 938 N MET A 63 3.550 5.090 -7.618 1.00 0.00 N ATOM 939 CA MET A 63 4.850 5.062 -8.303 1.00 0.00 C ATOM 940 C MET A 63 5.457 6.466 -8.511 1.00 0.00 C ATOM 941 O MET A 63 6.588 6.718 -8.126 1.00 0.00 O ATOM 942 CB MET A 63 4.693 4.303 -9.621 1.00 0.00 C ATOM 943 CG MET A 63 6.013 4.012 -10.331 1.00 0.00 C ATOM 944 SD MET A 63 5.774 3.124 -11.914 1.00 0.00 S ATOM 945 CE MET A 63 7.469 2.955 -12.423 1.00 0.00 C ATOM 0 H MET A 63 2.803 4.663 -8.165 1.00 0.00 H new ATOM 0 HA MET A 63 5.564 4.542 -7.665 1.00 0.00 H new ATOM 0 HB2 MET A 63 4.181 3.360 -9.427 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.054 4.882 -10.288 1.00 0.00 H new ATOM 0 HG2 MET A 63 6.536 4.950 -10.519 1.00 0.00 H new ATOM 0 HG3 MET A 63 6.651 3.417 -9.677 1.00 0.00 H new ATOM 0 HE1 MET A 63 7.512 2.432 -13.378 1.00 0.00 H new ATOM 0 HE2 MET A 63 7.917 3.943 -12.530 1.00 0.00 H new ATOM 0 HE3 MET A 63 8.019 2.387 -11.673 1.00 0.00 H new ATOM 955 N LYS A 64 4.625 7.399 -8.999 1.00 0.00 N ATOM 956 CA LYS A 64 4.995 8.825 -9.117 1.00 0.00 C ATOM 957 C LYS A 64 5.459 9.432 -7.786 1.00 0.00 C ATOM 958 O LYS A 64 6.555 9.978 -7.689 1.00 0.00 O ATOM 959 CB LYS A 64 3.824 9.640 -9.680 1.00 0.00 C ATOM 960 CG LYS A 64 3.561 9.380 -11.174 1.00 0.00 C ATOM 961 CD LYS A 64 4.683 9.956 -12.046 1.00 0.00 C ATOM 962 CE LYS A 64 4.416 9.702 -13.534 1.00 0.00 C ATOM 963 NZ LYS A 64 5.486 10.302 -14.347 1.00 0.00 N ATOM 0 H LYS A 64 3.680 7.191 -9.323 1.00 0.00 H new ATOM 0 HA LYS A 64 5.839 8.870 -9.805 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.923 9.406 -9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.026 10.701 -9.533 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.476 8.308 -11.349 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.609 9.827 -11.461 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.772 11.028 -11.868 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.634 9.506 -11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.361 8.630 -13.724 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.452 10.126 -13.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.297 10.125 -15.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.519 11.327 -14.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.399 9.878 -14.086 1.00 0.00 H new ATOM 977 N TYR A 65 4.685 9.148 -6.727 1.00 0.00 N ATOM 978 CA TYR A 65 5.022 9.556 -5.347 1.00 0.00 C ATOM 979 C TYR A 65 6.322 8.928 -4.801 1.00 0.00 C ATOM 980 O TYR A 65 7.140 9.650 -4.233 1.00 0.00 O ATOM 981 CB TYR A 65 3.839 9.280 -4.416 1.00 0.00 C ATOM 982 CG TYR A 65 2.577 10.085 -4.759 1.00 0.00 C ATOM 983 CD1 TYR A 65 2.659 11.428 -5.173 1.00 0.00 C ATOM 984 CD2 TYR A 65 1.323 9.475 -4.655 1.00 0.00 C ATOM 985 CE1 TYR A 65 1.495 12.136 -5.515 1.00 0.00 C ATOM 986 CE2 TYR A 65 0.161 10.186 -4.984 1.00 0.00 C ATOM 987 CZ TYR A 65 0.252 11.508 -5.416 1.00 0.00 C ATOM 988 OH TYR A 65 -0.874 12.158 -5.816 1.00 0.00 O ATOM 0 H TYR A 65 3.809 8.630 -6.799 1.00 0.00 H new ATOM 0 HA TYR A 65 5.219 10.627 -5.382 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.601 8.217 -4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.135 9.506 -3.392 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.621 11.916 -5.228 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.250 8.451 -4.320 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.561 13.160 -5.852 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.805 9.710 -4.903 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.652 11.578 -5.680 1.00 0.00 H new ATOM 998 N LEU A 66 6.535 7.636 -5.061 1.00 0.00 N ATOM 999 CA LEU A 66 7.801 6.953 -4.726 1.00 0.00 C ATOM 1000 C LEU A 66 8.999 7.283 -5.647 1.00 0.00 C ATOM 1001 O LEU A 66 10.025 6.606 -5.622 1.00 0.00 O ATOM 1002 CB LEU A 66 7.606 5.442 -4.501 1.00 0.00 C ATOM 1003 CG LEU A 66 7.020 4.605 -5.634 1.00 0.00 C ATOM 1004 CD1 LEU A 66 8.075 4.199 -6.673 1.00 0.00 C ATOM 1005 CD2 LEU A 66 6.321 3.371 -5.058 1.00 0.00 C ATOM 0 H LEU A 66 5.845 7.032 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 66 8.097 7.385 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.576 5.018 -4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.962 5.317 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 66 6.292 5.224 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.604 3.605 -7.457 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.517 5.094 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.854 3.609 -6.189 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.904 2.776 -5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.041 2.771 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.519 3.686 -4.390 1.00 0.00 H new ATOM 1017 N LEU A 67 8.819 8.285 -6.500 1.00 0.00 N ATOM 1018 CA LEU A 67 9.923 8.965 -7.194 1.00 0.00 C ATOM 1019 C LEU A 67 10.049 10.407 -6.655 1.00 0.00 C ATOM 1020 O LEU A 67 11.032 10.736 -6.002 1.00 0.00 O ATOM 1021 CB LEU A 67 9.650 8.918 -8.712 1.00 0.00 C ATOM 1022 CG LEU A 67 10.852 9.102 -9.657 1.00 0.00 C ATOM 1023 CD1 LEU A 67 11.466 10.507 -9.606 1.00 0.00 C ATOM 1024 CD2 LEU A 67 11.918 8.023 -9.424 1.00 0.00 C ATOM 0 H LEU A 67 7.899 8.656 -6.736 1.00 0.00 H new ATOM 0 HA LEU A 67 10.876 8.469 -7.011 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.186 7.958 -8.941 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.917 9.690 -8.946 1.00 0.00 H new ATOM 0 HG LEU A 67 10.455 8.984 -10.665 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.307 10.562 -10.297 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.714 11.243 -9.890 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.814 10.716 -8.594 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.752 8.182 -10.107 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.275 8.080 -8.396 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.485 7.039 -9.603 1.00 0.00 H new ATOM 1036 N LYS A 68 8.947 11.162 -6.745 1.00 0.00 N ATOM 1037 CA LYS A 68 8.878 12.573 -6.304 1.00 0.00 C ATOM 1038 C LYS A 68 9.194 12.841 -4.824 1.00 0.00 C ATOM 1039 O LYS A 68 9.594 13.950 -4.468 1.00 0.00 O ATOM 1040 CB LYS A 68 7.519 13.163 -6.678 1.00 0.00 C ATOM 1041 CG LYS A 68 7.451 13.498 -8.170 1.00 0.00 C ATOM 1042 CD LYS A 68 6.130 14.185 -8.523 1.00 0.00 C ATOM 1043 CE LYS A 68 6.171 14.791 -9.931 1.00 0.00 C ATOM 1044 NZ LYS A 68 7.130 15.899 -10.018 1.00 0.00 N ATOM 0 H LYS A 68 8.068 10.814 -7.128 1.00 0.00 H new ATOM 0 HA LYS A 68 9.687 13.072 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.730 12.454 -6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.337 14.064 -6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.285 14.147 -8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.557 12.585 -8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.315 13.464 -8.460 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.920 14.968 -7.795 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.441 14.019 -10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.177 15.148 -10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.922 16.472 -10.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.053 16.493 -9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.095 15.518 -10.088 1.00 0.00 H new ATOM 1058 N GLU A 69 8.934 11.868 -3.963 1.00 0.00 N ATOM 1059 CA GLU A 69 9.275 11.950 -2.531 1.00 0.00 C ATOM 1060 C GLU A 69 10.401 10.967 -2.120 1.00 0.00 C ATOM 1061 O GLU A 69 10.522 10.569 -0.960 1.00 0.00 O ATOM 1062 CB GLU A 69 8.024 11.758 -1.666 1.00 0.00 C ATOM 1063 CG GLU A 69 6.998 12.901 -1.806 1.00 0.00 C ATOM 1064 CD GLU A 69 5.816 12.570 -2.721 1.00 0.00 C ATOM 1065 OE1 GLU A 69 6.033 12.283 -3.917 1.00 0.00 O ATOM 1066 OE2 GLU A 69 4.679 12.643 -2.212 1.00 0.00 O ATOM 0 H GLU A 69 8.480 10.994 -4.228 1.00 0.00 H new ATOM 0 HA GLU A 69 9.669 12.951 -2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.546 10.816 -1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.324 11.675 -0.621 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.618 13.157 -0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.505 13.785 -2.191 1.00 0.00 H new ATOM 1073 N LEU A 70 11.302 10.701 -3.061 1.00 0.00 N ATOM 1074 CA LEU A 70 12.426 9.771 -2.840 1.00 0.00 C ATOM 1075 C LEU A 70 13.799 10.436 -3.009 1.00 0.00 C ATOM 1076 O LEU A 70 14.260 10.702 -4.114 1.00 0.00 O ATOM 1077 CB LEU A 70 12.278 8.567 -3.774 1.00 0.00 C ATOM 1078 CG LEU A 70 12.218 7.255 -3.000 1.00 0.00 C ATOM 1079 CD1 LEU A 70 10.868 7.044 -2.310 1.00 0.00 C ATOM 1080 CD2 LEU A 70 12.572 6.098 -3.934 1.00 0.00 C ATOM 0 H LEU A 70 11.283 11.115 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 70 12.383 9.440 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.373 8.679 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.117 8.541 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 70 12.953 7.296 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.878 6.095 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.688 7.857 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.075 7.029 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.530 5.159 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.861 6.066 -4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.578 6.243 -4.327 1.00 0.00 H new ATOM 1092 N ALA A 71 14.363 10.806 -1.868 1.00 0.00 N ATOM 1093 CA ALA A 71 15.732 11.365 -1.757 1.00 0.00 C ATOM 1094 C ALA A 71 16.843 10.433 -2.278 1.00 0.00 C ATOM 1095 O ALA A 71 17.901 10.899 -2.705 1.00 0.00 O ATOM 1096 CB ALA A 71 15.997 11.742 -0.299 1.00 0.00 C ATOM 0 H ALA A 71 13.886 10.731 -0.969 1.00 0.00 H new ATOM 0 HA ALA A 71 15.766 12.243 -2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.002 12.154 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.268 12.486 0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 71 15.910 10.855 0.328 1.00 0.00 H new ATOM 1102 N ALA A 72 16.611 9.124 -2.174 1.00 0.00 N ATOM 1103 CA ALA A 72 17.520 8.069 -2.646 1.00 0.00 C ATOM 1104 C ALA A 72 16.772 7.140 -3.630 1.00 0.00 C ATOM 1105 O ALA A 72 15.546 7.013 -3.517 1.00 0.00 O ATOM 1106 CB ALA A 72 18.003 7.261 -1.439 1.00 0.00 C ATOM 0 H ALA A 72 15.762 8.754 -1.747 1.00 0.00 H new ATOM 0 HA ALA A 72 18.372 8.515 -3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 72 18.679 6.474 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 72 18.528 7.919 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 72 17.147 6.813 -0.935 1.00 0.00 H new ATOM 1112 N PRO A 73 17.446 6.551 -4.627 1.00 0.00 N ATOM 1113 CA PRO A 73 16.832 5.545 -5.502 1.00 0.00 C ATOM 1114 C PRO A 73 16.655 4.180 -4.808 1.00 0.00 C ATOM 1115 O PRO A 73 17.534 3.322 -4.829 1.00 0.00 O ATOM 1116 CB PRO A 73 17.724 5.510 -6.745 1.00 0.00 C ATOM 1117 CG PRO A 73 19.100 5.918 -6.217 1.00 0.00 C ATOM 1118 CD PRO A 73 18.771 6.955 -5.134 1.00 0.00 C ATOM 0 HA PRO A 73 15.808 5.803 -5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.746 4.517 -7.194 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.369 6.199 -7.512 1.00 0.00 H new ATOM 0 HG2 PRO A 73 19.642 5.066 -5.806 1.00 0.00 H new ATOM 0 HG3 PRO A 73 19.723 6.343 -7.004 1.00 0.00 H new ATOM 0 HD2 PRO A 73 19.518 6.951 -4.340 1.00 0.00 H new ATOM 0 HD3 PRO A 73 18.748 7.964 -5.545 1.00 0.00 H new ATOM 1126 N GLY A 74 15.565 4.102 -4.038 1.00 0.00 N ATOM 1127 CA GLY A 74 15.096 2.862 -3.367 1.00 0.00 C ATOM 1128 C GLY A 74 14.495 1.852 -4.358 1.00 0.00 C ATOM 1129 O GLY A 74 14.122 2.206 -5.470 1.00 0.00 O ATOM 0 H GLY A 74 14.966 4.907 -3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.931 2.399 -2.841 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.349 3.119 -2.616 1.00 0.00 H new ATOM 1133 N ASN A 75 14.226 0.641 -3.857 1.00 0.00 N ATOM 1134 CA ASN A 75 13.704 -0.447 -4.718 1.00 0.00 C ATOM 1135 C ASN A 75 12.184 -0.611 -4.620 1.00 0.00 C ATOM 1136 O ASN A 75 11.585 -0.545 -3.548 1.00 0.00 O ATOM 1137 CB ASN A 75 14.415 -1.783 -4.426 1.00 0.00 C ATOM 1138 CG ASN A 75 14.204 -2.288 -2.998 1.00 0.00 C ATOM 1139 OD1 ASN A 75 13.186 -2.881 -2.646 1.00 0.00 O ATOM 1140 ND2 ASN A 75 15.168 -2.033 -2.142 1.00 0.00 N ATOM 0 H ASN A 75 14.355 0.384 -2.878 1.00 0.00 H new ATOM 0 HA ASN A 75 13.924 -0.152 -5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.056 -2.537 -5.126 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.483 -1.664 -4.606 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.078 -2.328 -1.170 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.006 -1.540 -2.450 1.00 0.00 H new ATOM 1147 N VAL A 76 11.597 -0.912 -5.772 1.00 0.00 N ATOM 1148 CA VAL A 76 10.141 -1.122 -5.909 1.00 0.00 C ATOM 1149 C VAL A 76 9.805 -2.620 -6.013 1.00 0.00 C ATOM 1150 O VAL A 76 9.871 -3.240 -7.068 1.00 0.00 O ATOM 1151 CB VAL A 76 9.554 -0.208 -7.003 1.00 0.00 C ATOM 1152 CG1 VAL A 76 10.102 -0.460 -8.418 1.00 0.00 C ATOM 1153 CG2 VAL A 76 8.021 -0.210 -6.984 1.00 0.00 C ATOM 0 H VAL A 76 12.110 -1.020 -6.647 1.00 0.00 H new ATOM 0 HA VAL A 76 9.628 -0.805 -5.001 1.00 0.00 H new ATOM 0 HB VAL A 76 9.901 0.792 -6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.631 0.230 -9.119 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.181 -0.303 -8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.883 -1.485 -8.716 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.647 0.446 -7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.656 -1.223 -7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.669 0.146 -6.016 1.00 0.00 H new ATOM 1163 N ASP A 77 9.595 -3.169 -4.823 1.00 0.00 N ATOM 1164 CA ASP A 77 9.241 -4.582 -4.536 1.00 0.00 C ATOM 1165 C ASP A 77 10.410 -5.561 -4.700 1.00 0.00 C ATOM 1166 O ASP A 77 11.301 -5.420 -5.535 1.00 0.00 O ATOM 1167 CB ASP A 77 8.007 -5.037 -5.336 1.00 0.00 C ATOM 1168 CG ASP A 77 7.432 -6.417 -4.962 1.00 0.00 C ATOM 1169 OD1 ASP A 77 7.469 -6.764 -3.761 1.00 0.00 O ATOM 1170 OD2 ASP A 77 6.937 -7.101 -5.886 1.00 0.00 O ATOM 0 H ASP A 77 9.668 -2.617 -3.968 1.00 0.00 H new ATOM 0 HA ASP A 77 8.984 -4.605 -3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.222 -4.292 -5.210 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.268 -5.049 -6.394 1.00 0.00 H new ATOM 1175 N ASP A 78 10.439 -6.454 -3.716 1.00 0.00 N ATOM 1176 CA ASP A 78 11.353 -7.608 -3.621 1.00 0.00 C ATOM 1177 C ASP A 78 10.487 -8.876 -3.752 1.00 0.00 C ATOM 1178 O ASP A 78 9.492 -8.852 -4.476 1.00 0.00 O ATOM 1179 CB ASP A 78 12.058 -7.511 -2.256 1.00 0.00 C ATOM 1180 CG ASP A 78 12.711 -6.147 -1.978 1.00 0.00 C ATOM 1181 OD1 ASP A 78 11.971 -5.281 -1.458 1.00 0.00 O ATOM 1182 OD2 ASP A 78 13.932 -6.054 -2.214 1.00 0.00 O ATOM 0 H ASP A 78 9.801 -6.399 -2.922 1.00 0.00 H new ATOM 0 HA ASP A 78 12.116 -7.632 -4.399 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.333 -7.721 -1.470 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.823 -8.285 -2.199 1.00 0.00 H new ATOM 1187 N LYS A 79 10.862 -9.986 -3.107 1.00 0.00 N ATOM 1188 CA LYS A 79 9.987 -11.168 -2.971 1.00 0.00 C ATOM 1189 C LYS A 79 8.768 -10.839 -2.076 1.00 0.00 C ATOM 1190 O LYS A 79 8.909 -10.745 -0.857 1.00 0.00 O ATOM 1191 CB LYS A 79 10.719 -12.391 -2.413 1.00 0.00 C ATOM 1192 CG LYS A 79 11.705 -13.058 -3.383 1.00 0.00 C ATOM 1193 CD LYS A 79 13.073 -12.380 -3.423 1.00 0.00 C ATOM 1194 CE LYS A 79 14.027 -13.149 -4.342 1.00 0.00 C ATOM 1195 NZ LYS A 79 15.378 -12.569 -4.313 1.00 0.00 N ATOM 0 H LYS A 79 11.775 -10.096 -2.665 1.00 0.00 H new ATOM 0 HA LYS A 79 9.652 -11.421 -3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.262 -12.093 -1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.979 -13.130 -2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.834 -14.102 -3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.276 -13.053 -4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.967 -11.354 -3.776 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.490 -12.329 -2.417 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.070 -14.193 -4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.644 -13.134 -5.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.002 -13.110 -4.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.338 -11.580 -4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.751 -12.606 -3.343 1.00 0.00 H new ATOM 1209 N GLY A 80 7.743 -10.324 -2.750 1.00 0.00 N ATOM 1210 CA GLY A 80 6.423 -9.994 -2.148 1.00 0.00 C ATOM 1211 C GLY A 80 6.478 -9.028 -0.959 1.00 0.00 C ATOM 1212 O GLY A 80 5.749 -9.208 0.005 1.00 0.00 O ATOM 0 H GLY A 80 7.792 -10.115 -3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.786 -9.561 -2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.947 -10.919 -1.824 1.00 0.00 H new ATOM 1216 N GLU A 81 7.250 -7.952 -1.109 1.00 0.00 N ATOM 1217 CA GLU A 81 7.528 -6.929 -0.060 1.00 0.00 C ATOM 1218 C GLU A 81 8.069 -5.634 -0.675 1.00 0.00 C ATOM 1219 O GLU A 81 8.882 -5.684 -1.605 1.00 0.00 O ATOM 1220 CB GLU A 81 8.576 -7.422 0.955 1.00 0.00 C ATOM 1221 CG GLU A 81 8.064 -8.415 1.996 1.00 0.00 C ATOM 1222 CD GLU A 81 6.938 -7.829 2.857 1.00 0.00 C ATOM 1223 OE1 GLU A 81 7.259 -7.018 3.753 1.00 0.00 O ATOM 1224 OE2 GLU A 81 5.778 -8.242 2.641 1.00 0.00 O ATOM 0 H GLU A 81 7.723 -7.747 -1.989 1.00 0.00 H new ATOM 0 HA GLU A 81 6.577 -6.748 0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.397 -7.886 0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.988 -6.557 1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.704 -9.312 1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.889 -8.720 2.640 1.00 0.00 H new ATOM 1231 N LEU A 82 7.725 -4.509 -0.069 1.00 0.00 N ATOM 1232 CA LEU A 82 8.163 -3.171 -0.531 1.00 0.00 C ATOM 1233 C LEU A 82 9.082 -2.474 0.487 1.00 0.00 C ATOM 1234 O LEU A 82 8.645 -2.158 1.598 1.00 0.00 O ATOM 1235 CB LEU A 82 6.925 -2.309 -0.815 1.00 0.00 C ATOM 1236 CG LEU A 82 7.250 -0.947 -1.443 1.00 0.00 C ATOM 1237 CD1 LEU A 82 7.592 -1.074 -2.934 1.00 0.00 C ATOM 1238 CD2 LEU A 82 6.095 0.031 -1.222 1.00 0.00 C ATOM 0 H LEU A 82 7.133 -4.482 0.761 1.00 0.00 H new ATOM 0 HA LEU A 82 8.746 -3.300 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.258 -2.856 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.383 -2.149 0.117 1.00 0.00 H new ATOM 0 HG LEU A 82 8.136 -0.553 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.816 -0.088 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.460 -1.722 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.743 -1.502 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.341 0.992 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.190 -0.365 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.930 0.164 -0.153 1.00 0.00 H new ATOM 1250 N VAL A 83 10.353 -2.323 0.098 1.00 0.00 N ATOM 1251 CA VAL A 83 11.355 -1.542 0.853 1.00 0.00 C ATOM 1252 C VAL A 83 12.009 -0.421 0.013 1.00 0.00 C ATOM 1253 O VAL A 83 13.092 -0.563 -0.557 1.00 0.00 O ATOM 1254 CB VAL A 83 12.329 -2.475 1.609 1.00 0.00 C ATOM 1255 CG1 VAL A 83 13.172 -3.383 0.712 1.00 0.00 C ATOM 1256 CG2 VAL A 83 13.219 -1.707 2.595 1.00 0.00 C ATOM 0 H VAL A 83 10.724 -2.740 -0.756 1.00 0.00 H new ATOM 0 HA VAL A 83 10.838 -0.981 1.632 1.00 0.00 H new ATOM 0 HB VAL A 83 11.675 -3.140 2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.824 -4.001 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.516 -4.024 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 83 13.778 -2.772 0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.886 -2.404 3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.810 -0.969 2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.594 -1.202 3.332 1.00 0.00 H new ATOM 1266 N ILE A 84 11.372 0.756 0.039 1.00 0.00 N ATOM 1267 CA ILE A 84 11.820 1.903 -0.779 1.00 0.00 C ATOM 1268 C ILE A 84 12.282 3.090 0.099 1.00 0.00 C ATOM 1269 O ILE A 84 11.625 3.439 1.074 1.00 0.00 O ATOM 1270 CB ILE A 84 10.732 2.202 -1.833 1.00 0.00 C ATOM 1271 CG1 ILE A 84 11.390 2.851 -3.063 1.00 0.00 C ATOM 1272 CG2 ILE A 84 9.561 3.058 -1.321 1.00 0.00 C ATOM 1273 CD1 ILE A 84 10.597 2.652 -4.358 1.00 0.00 C ATOM 0 H ILE A 84 10.549 0.944 0.612 1.00 0.00 H new ATOM 0 HA ILE A 84 12.725 1.667 -1.338 1.00 0.00 H new ATOM 0 HB ILE A 84 10.280 1.246 -2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.509 3.919 -2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 84 12.390 2.436 -3.191 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.846 3.217 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 84 9.068 2.544 -0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.938 4.021 -0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.120 3.136 -5.183 1.00 0.00 H new ATOM 0 HD12 ILE A 84 10.500 1.586 -4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 84 9.606 3.092 -4.249 1.00 0.00 H new ATOM 1285 N GLN A 85 13.375 3.736 -0.306 1.00 0.00 N ATOM 1286 CA GLN A 85 14.100 4.710 0.535 1.00 0.00 C ATOM 1287 C GLN A 85 14.006 6.151 -0.002 1.00 0.00 C ATOM 1288 O GLN A 85 14.451 6.440 -1.110 1.00 0.00 O ATOM 1289 CB GLN A 85 15.555 4.254 0.630 1.00 0.00 C ATOM 1290 CG GLN A 85 16.413 5.100 1.590 1.00 0.00 C ATOM 1291 CD GLN A 85 17.892 4.681 1.574 1.00 0.00 C ATOM 1292 OE1 GLN A 85 18.472 4.294 0.570 1.00 0.00 O ATOM 1293 NE2 GLN A 85 18.553 4.841 2.701 1.00 0.00 N ATOM 0 H GLN A 85 13.790 3.604 -1.228 1.00 0.00 H new ATOM 0 HA GLN A 85 13.638 4.736 1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 85 15.579 3.215 0.957 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.001 4.286 -0.364 1.00 0.00 H new ATOM 0 HG2 GLN A 85 16.333 6.152 1.315 1.00 0.00 H new ATOM 0 HG3 GLN A 85 16.022 5.005 2.603 1.00 0.00 H new ATOM 0 HE21 GLN A 85 18.066 5.164 3.537 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.553 4.642 2.739 1.00 0.00 H new ATOM 1302 N GLY A 86 13.664 7.056 0.905 1.00 0.00 N ATOM 1303 CA GLY A 86 13.471 8.497 0.637 1.00 0.00 C ATOM 1304 C GLY A 86 12.789 9.197 1.824 1.00 0.00 C ATOM 1305 O GLY A 86 13.126 8.970 2.981 1.00 0.00 O ATOM 0 H GLY A 86 13.505 6.812 1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.435 8.965 0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.866 8.625 -0.261 1.00 0.00 H new ATOM 1309 N LYS A 87 11.764 9.975 1.491 1.00 0.00 N ATOM 1310 CA LYS A 87 10.877 10.641 2.466 1.00 0.00 C ATOM 1311 C LYS A 87 9.572 9.831 2.626 1.00 0.00 C ATOM 1312 O LYS A 87 8.479 10.354 2.838 1.00 0.00 O ATOM 1313 CB LYS A 87 10.564 12.071 2.002 1.00 0.00 C ATOM 1314 CG LYS A 87 11.772 13.007 1.937 1.00 0.00 C ATOM 1315 CD LYS A 87 12.344 13.317 3.326 1.00 0.00 C ATOM 1316 CE LYS A 87 13.435 14.396 3.261 1.00 0.00 C ATOM 1317 NZ LYS A 87 12.877 15.717 2.906 1.00 0.00 N ATOM 0 H LYS A 87 11.514 10.170 0.522 1.00 0.00 H new ATOM 0 HA LYS A 87 11.381 10.691 3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 87 10.105 12.024 1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.825 12.502 2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.548 12.553 1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.482 13.938 1.450 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.542 13.650 3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.757 12.407 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.940 14.461 4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.187 14.109 2.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.589 16.454 3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.616 15.724 1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.033 15.904 3.484 1.00 0.00 H new ATOM 1331 N PHE A 88 9.743 8.512 2.599 1.00 0.00 N ATOM 1332 CA PHE A 88 8.640 7.539 2.538 1.00 0.00 C ATOM 1333 C PHE A 88 8.556 6.672 3.804 1.00 0.00 C ATOM 1334 O PHE A 88 9.576 6.388 4.421 1.00 0.00 O ATOM 1335 CB PHE A 88 8.834 6.673 1.285 1.00 0.00 C ATOM 1336 CG PHE A 88 7.802 6.943 0.180 1.00 0.00 C ATOM 1337 CD1 PHE A 88 7.481 8.254 -0.232 1.00 0.00 C ATOM 1338 CD2 PHE A 88 7.175 5.857 -0.434 1.00 0.00 C ATOM 1339 CE1 PHE A 88 6.521 8.449 -1.230 1.00 0.00 C ATOM 1340 CE2 PHE A 88 6.215 6.051 -1.431 1.00 0.00 C ATOM 1341 CZ PHE A 88 5.879 7.354 -1.825 1.00 0.00 C ATOM 0 H PHE A 88 10.665 8.075 2.619 1.00 0.00 H new ATOM 0 HA PHE A 88 7.694 8.077 2.481 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.834 6.846 0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.782 5.622 1.569 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.974 9.102 0.221 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.436 4.853 -0.134 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.272 9.452 -1.545 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.735 5.202 -1.895 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.128 7.514 -2.585 1.00 0.00 H new ATOM 1351 N SER A 89 7.300 6.435 4.171 1.00 0.00 N ATOM 1352 CA SER A 89 6.740 5.663 5.321 1.00 0.00 C ATOM 1353 C SER A 89 5.836 6.543 6.186 1.00 0.00 C ATOM 1354 O SER A 89 6.005 7.766 6.212 1.00 0.00 O ATOM 1355 CB SER A 89 7.715 4.939 6.255 1.00 0.00 C ATOM 1356 OG SER A 89 8.612 5.860 6.894 1.00 0.00 O ATOM 0 H SER A 89 6.540 6.820 3.610 1.00 0.00 H new ATOM 0 HA SER A 89 6.202 4.870 4.802 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.155 4.390 7.012 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.288 4.206 5.687 1.00 0.00 H new ATOM 0 HG SER A 89 9.181 6.284 6.218 1.00 0.00 H new ATOM 1362 N SER A 90 4.867 5.898 6.832 1.00 0.00 N ATOM 1363 CA SER A 90 3.784 6.484 7.667 1.00 0.00 C ATOM 1364 C SER A 90 2.830 7.481 6.976 1.00 0.00 C ATOM 1365 O SER A 90 1.625 7.431 7.189 1.00 0.00 O ATOM 1366 CB SER A 90 4.374 7.052 8.964 1.00 0.00 C ATOM 1367 OG SER A 90 3.357 7.404 9.908 1.00 0.00 O ATOM 0 H SER A 90 4.800 4.881 6.793 1.00 0.00 H new ATOM 0 HA SER A 90 3.120 5.648 7.887 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.043 6.316 9.410 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.975 7.932 8.734 1.00 0.00 H new ATOM 0 HG SER A 90 3.774 7.760 10.720 1.00 0.00 H new ATOM 1373 N GLN A 91 3.387 8.339 6.129 1.00 0.00 N ATOM 1374 CA GLN A 91 2.665 9.380 5.351 1.00 0.00 C ATOM 1375 C GLN A 91 2.599 9.053 3.843 1.00 0.00 C ATOM 1376 O GLN A 91 2.627 7.885 3.441 1.00 0.00 O ATOM 1377 CB GLN A 91 3.360 10.727 5.606 1.00 0.00 C ATOM 1378 CG GLN A 91 3.023 11.395 6.946 1.00 0.00 C ATOM 1379 CD GLN A 91 3.465 10.577 8.158 1.00 0.00 C ATOM 1380 OE1 GLN A 91 4.644 10.403 8.444 1.00 0.00 O ATOM 1381 NE2 GLN A 91 2.519 9.958 8.819 1.00 0.00 N ATOM 0 H GLN A 91 4.391 8.342 5.947 1.00 0.00 H new ATOM 0 HA GLN A 91 1.628 9.421 5.684 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.438 10.576 5.555 1.00 0.00 H new ATOM 0 HB3 GLN A 91 3.095 11.412 4.801 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.499 12.375 6.985 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.947 11.560 7.001 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.541 10.110 8.572 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.760 9.324 9.580 1.00 0.00 H new ATOM 1390 N VAL A 92 2.273 10.077 3.051 1.00 0.00 N ATOM 1391 CA VAL A 92 2.198 10.107 1.564 1.00 0.00 C ATOM 1392 C VAL A 92 1.098 9.153 1.067 1.00 0.00 C ATOM 1393 O VAL A 92 -0.081 9.492 1.169 1.00 0.00 O ATOM 1394 CB VAL A 92 3.576 9.885 0.887 1.00 0.00 C ATOM 1395 CG1 VAL A 92 3.481 10.104 -0.632 1.00 0.00 C ATOM 1396 CG2 VAL A 92 4.671 10.808 1.434 1.00 0.00 C ATOM 0 H VAL A 92 2.033 10.984 3.451 1.00 0.00 H new ATOM 0 HA VAL A 92 1.911 11.113 1.257 1.00 0.00 H new ATOM 0 HB VAL A 92 3.850 8.854 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.459 9.943 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.764 9.401 -1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.152 11.124 -0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.610 10.603 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.387 11.847 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.796 10.631 2.502 1.00 0.00 H new ATOM 1406 N ILE A 93 1.480 7.916 0.751 1.00 0.00 N ATOM 1407 CA ILE A 93 0.543 6.848 0.324 1.00 0.00 C ATOM 1408 C ILE A 93 -0.513 6.634 1.412 1.00 0.00 C ATOM 1409 O ILE A 93 -1.706 6.848 1.185 1.00 0.00 O ATOM 1410 CB ILE A 93 1.226 5.491 0.030 1.00 0.00 C ATOM 1411 CG1 ILE A 93 2.621 5.610 -0.611 1.00 0.00 C ATOM 1412 CG2 ILE A 93 0.306 4.692 -0.904 1.00 0.00 C ATOM 1413 CD1 ILE A 93 3.439 4.331 -0.441 1.00 0.00 C ATOM 0 H ILE A 93 2.453 7.613 0.781 1.00 0.00 H new ATOM 0 HA ILE A 93 0.100 7.191 -0.611 1.00 0.00 H new ATOM 0 HB ILE A 93 1.380 4.993 0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.515 5.834 -1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.157 6.446 -0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.764 3.729 -1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.656 4.532 -0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.157 5.247 -1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.416 4.459 -0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.569 4.121 0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.917 3.500 -0.914 1.00 0.00 H new ATOM 1425 N ASN A 94 -0.017 6.506 2.651 1.00 0.00 N ATOM 1426 CA ASN A 94 -0.854 6.306 3.838 1.00 0.00 C ATOM 1427 C ASN A 94 -1.711 7.528 4.209 1.00 0.00 C ATOM 1428 O ASN A 94 -2.830 7.350 4.661 1.00 0.00 O ATOM 1429 CB ASN A 94 0.013 5.909 5.033 1.00 0.00 C ATOM 1430 CG ASN A 94 -0.779 5.150 6.094 1.00 0.00 C ATOM 1431 OD1 ASN A 94 -1.497 4.204 5.818 1.00 0.00 O ATOM 1432 ND2 ASN A 94 -0.535 5.471 7.347 1.00 0.00 N ATOM 0 H ASN A 94 0.982 6.539 2.857 1.00 0.00 H new ATOM 0 HA ASN A 94 -1.547 5.504 3.583 1.00 0.00 H new ATOM 0 HB2 ASN A 94 0.841 5.290 4.689 1.00 0.00 H new ATOM 0 HB3 ASN A 94 0.447 6.804 5.478 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -0.949 4.925 8.103 1.00 0.00 H new ATOM 0 HD22 ASN A 94 0.068 6.265 7.562 1.00 0.00 H new ATOM 1439 N THR A 95 -1.212 8.741 3.938 1.00 0.00 N ATOM 1440 CA THR A 95 -1.968 9.996 4.149 1.00 0.00 C ATOM 1441 C THR A 95 -3.283 9.982 3.347 1.00 0.00 C ATOM 1442 O THR A 95 -4.352 9.924 3.945 1.00 0.00 O ATOM 1443 CB THR A 95 -1.098 11.226 3.795 1.00 0.00 C ATOM 1444 OG1 THR A 95 0.087 11.193 4.581 1.00 0.00 O ATOM 1445 CG2 THR A 95 -1.811 12.556 4.038 1.00 0.00 C ATOM 0 H THR A 95 -0.273 8.887 3.566 1.00 0.00 H new ATOM 0 HA THR A 95 -2.228 10.070 5.205 1.00 0.00 H new ATOM 0 HB THR A 95 -0.876 11.167 2.729 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.568 12.041 4.483 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.148 13.379 3.770 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.712 12.603 3.426 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.082 12.636 5.091 1.00 0.00 H new ATOM 1453 N LEU A 96 -3.152 9.846 2.030 1.00 0.00 N ATOM 1454 CA LEU A 96 -4.319 9.776 1.131 1.00 0.00 C ATOM 1455 C LEU A 96 -5.169 8.520 1.444 1.00 0.00 C ATOM 1456 O LEU A 96 -6.357 8.668 1.713 1.00 0.00 O ATOM 1457 CB LEU A 96 -3.880 9.786 -0.336 1.00 0.00 C ATOM 1458 CG LEU A 96 -4.842 10.525 -1.282 1.00 0.00 C ATOM 1459 CD1 LEU A 96 -4.189 10.683 -2.660 1.00 0.00 C ATOM 1460 CD2 LEU A 96 -6.198 9.814 -1.453 1.00 0.00 C ATOM 0 H LEU A 96 -2.252 9.781 1.554 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.936 10.658 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.895 10.248 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.773 8.756 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.040 11.495 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.872 11.207 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.267 11.256 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.963 9.699 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.827 10.389 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.037 8.817 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.691 9.732 -0.484 1.00 0.00 H new ATOM 1472 N MET A 97 -4.498 7.385 1.646 1.00 0.00 N ATOM 1473 CA MET A 97 -5.181 6.127 2.001 1.00 0.00 C ATOM 1474 C MET A 97 -6.038 6.232 3.278 1.00 0.00 C ATOM 1475 O MET A 97 -7.202 5.846 3.238 1.00 0.00 O ATOM 1476 CB MET A 97 -4.160 4.989 2.133 1.00 0.00 C ATOM 1477 CG MET A 97 -4.864 3.635 2.154 1.00 0.00 C ATOM 1478 SD MET A 97 -3.746 2.193 2.217 1.00 0.00 S ATOM 1479 CE MET A 97 -3.730 1.931 3.968 1.00 0.00 C ATOM 0 H MET A 97 -3.484 7.305 1.571 1.00 0.00 H new ATOM 0 HA MET A 97 -5.873 5.910 1.187 1.00 0.00 H new ATOM 0 HB2 MET A 97 -3.456 5.026 1.301 1.00 0.00 H new ATOM 0 HB3 MET A 97 -3.580 5.118 3.047 1.00 0.00 H new ATOM 0 HG2 MET A 97 -5.529 3.600 3.017 1.00 0.00 H new ATOM 0 HG3 MET A 97 -5.491 3.553 1.266 1.00 0.00 H new ATOM 0 HE1 MET A 97 -3.406 0.912 4.181 1.00 0.00 H new ATOM 0 HE2 MET A 97 -3.042 2.636 4.435 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.732 2.083 4.368 1.00 0.00 H new ATOM 1489 N GLU A 98 -5.510 6.850 4.327 1.00 0.00 N ATOM 1490 CA GLU A 98 -6.222 7.070 5.612 1.00 0.00 C ATOM 1491 C GLU A 98 -7.537 7.857 5.422 1.00 0.00 C ATOM 1492 O GLU A 98 -8.614 7.339 5.723 1.00 0.00 O ATOM 1493 CB GLU A 98 -5.259 7.789 6.564 1.00 0.00 C ATOM 1494 CG GLU A 98 -5.785 7.955 7.993 1.00 0.00 C ATOM 1495 CD GLU A 98 -4.728 8.633 8.863 1.00 0.00 C ATOM 1496 OE1 GLU A 98 -3.895 7.891 9.424 1.00 0.00 O ATOM 1497 OE2 GLU A 98 -4.715 9.886 8.870 1.00 0.00 O ATOM 0 H GLU A 98 -4.561 7.224 4.325 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.518 6.110 6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.321 7.236 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.033 8.774 6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.698 8.550 7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.042 6.981 8.410 1.00 0.00 H new ATOM 1504 N ARG A 99 -7.422 9.046 4.816 1.00 0.00 N ATOM 1505 CA ARG A 99 -8.592 9.910 4.518 1.00 0.00 C ATOM 1506 C ARG A 99 -9.584 9.294 3.514 1.00 0.00 C ATOM 1507 O ARG A 99 -10.783 9.535 3.622 1.00 0.00 O ATOM 1508 CB ARG A 99 -8.152 11.326 4.129 1.00 0.00 C ATOM 1509 CG ARG A 99 -7.256 11.396 2.880 1.00 0.00 C ATOM 1510 CD ARG A 99 -6.717 12.803 2.649 1.00 0.00 C ATOM 1511 NE ARG A 99 -5.852 12.792 1.462 1.00 0.00 N ATOM 1512 CZ ARG A 99 -5.146 13.817 0.967 1.00 0.00 C ATOM 1513 NH1 ARG A 99 -5.254 15.046 1.466 1.00 0.00 N ATOM 1514 NH2 ARG A 99 -4.400 13.653 -0.108 1.00 0.00 N ATOM 0 H ARG A 99 -6.530 9.441 4.518 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.159 9.987 5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.040 11.934 3.958 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.618 11.770 4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.423 10.701 2.990 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.824 11.076 2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -7.540 13.504 2.509 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.156 13.140 3.521 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.781 11.907 0.960 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.887 15.226 2.245 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -4.704 15.808 1.069 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -4.359 12.743 -0.566 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.864 14.437 -0.481 1.00 0.00 H new ATOM 1528 N PHE A 100 -9.077 8.496 2.572 1.00 0.00 N ATOM 1529 CA PHE A 100 -9.861 7.644 1.656 1.00 0.00 C ATOM 1530 C PHE A 100 -10.638 6.533 2.405 1.00 0.00 C ATOM 1531 O PHE A 100 -11.840 6.648 2.624 1.00 0.00 O ATOM 1532 CB PHE A 100 -8.864 7.121 0.608 1.00 0.00 C ATOM 1533 CG PHE A 100 -9.324 5.923 -0.239 1.00 0.00 C ATOM 1534 CD1 PHE A 100 -10.074 6.110 -1.407 1.00 0.00 C ATOM 1535 CD2 PHE A 100 -8.966 4.626 0.160 1.00 0.00 C ATOM 1536 CE1 PHE A 100 -10.469 5.008 -2.170 1.00 0.00 C ATOM 1537 CE2 PHE A 100 -9.369 3.518 -0.601 1.00 0.00 C ATOM 1538 CZ PHE A 100 -10.119 3.706 -1.769 1.00 0.00 C ATOM 0 H PHE A 100 -8.072 8.418 2.415 1.00 0.00 H new ATOM 0 HA PHE A 100 -10.654 8.206 1.162 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.617 7.941 -0.067 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.944 6.842 1.122 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.347 7.107 -1.718 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.379 4.480 1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.045 5.157 -3.071 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -9.101 2.520 -0.286 1.00 0.00 H new ATOM 0 HZ PHE A 100 -10.427 2.855 -2.359 1.00 0.00 H new ATOM 1548 N LEU A 101 -9.881 5.623 3.005 1.00 0.00 N ATOM 1549 CA LEU A 101 -10.355 4.388 3.668 1.00 0.00 C ATOM 1550 C LEU A 101 -11.353 4.664 4.805 1.00 0.00 C ATOM 1551 O LEU A 101 -12.327 3.925 4.977 1.00 0.00 O ATOM 1552 CB LEU A 101 -9.103 3.685 4.210 1.00 0.00 C ATOM 1553 CG LEU A 101 -9.188 2.164 4.296 1.00 0.00 C ATOM 1554 CD1 LEU A 101 -7.778 1.612 4.123 1.00 0.00 C ATOM 1555 CD2 LEU A 101 -9.746 1.699 5.642 1.00 0.00 C ATOM 0 H LEU A 101 -8.867 5.720 3.052 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.896 3.770 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.257 3.949 3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -8.890 4.076 5.205 1.00 0.00 H new ATOM 0 HG LEU A 101 -9.862 1.802 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.804 0.524 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -7.385 1.916 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.135 2.001 4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -9.790 0.610 5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -9.098 2.050 6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.748 2.105 5.780 1.00 0.00 H new ATOM 1567 N LYS A 102 -11.095 5.733 5.565 1.00 0.00 N ATOM 1568 CA LYS A 102 -11.967 6.160 6.676 1.00 0.00 C ATOM 1569 C LYS A 102 -12.610 7.542 6.449 1.00 0.00 C ATOM 1570 O LYS A 102 -12.922 8.266 7.400 1.00 0.00 O ATOM 1571 CB LYS A 102 -11.171 6.097 7.983 1.00 0.00 C ATOM 1572 CG LYS A 102 -10.895 4.666 8.443 1.00 0.00 C ATOM 1573 CD LYS A 102 -10.005 4.660 9.687 1.00 0.00 C ATOM 1574 CE LYS A 102 -9.815 3.254 10.266 1.00 0.00 C ATOM 1575 NZ LYS A 102 -9.092 2.341 9.360 1.00 0.00 N ATOM 0 H LYS A 102 -10.278 6.329 5.432 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.810 5.472 6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.224 6.620 7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.720 6.624 8.763 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.836 4.161 8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -10.412 4.108 7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -9.031 5.080 9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.444 5.306 10.447 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.270 3.327 11.207 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.792 2.828 10.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -8.878 1.454 9.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.683 2.136 8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.205 2.788 9.052 1.00 0.00 H new ATOM 1589 N ALA A 103 -12.974 7.815 5.191 1.00 0.00 N ATOM 1590 CA ALA A 103 -13.534 9.107 4.741 1.00 0.00 C ATOM 1591 C ALA A 103 -14.668 9.687 5.604 1.00 0.00 C ATOM 1592 O ALA A 103 -14.543 10.799 6.102 1.00 0.00 O ATOM 1593 CB ALA A 103 -14.013 8.989 3.292 1.00 0.00 C ATOM 0 H ALA A 103 -12.888 7.134 4.437 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.709 9.813 4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -14.425 9.944 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -13.173 8.718 2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -14.783 8.220 3.225 1.00 0.00 H new ATOM 1599 N TYR A 104 -15.643 8.839 5.948 1.00 0.00 N ATOM 1600 CA TYR A 104 -16.806 9.240 6.760 1.00 0.00 C ATOM 1601 C TYR A 104 -16.478 9.847 8.133 1.00 0.00 C ATOM 1602 O TYR A 104 -17.134 10.807 8.540 1.00 0.00 O ATOM 1603 CB TYR A 104 -17.781 8.057 6.877 1.00 0.00 C ATOM 1604 CG TYR A 104 -18.698 7.852 5.668 1.00 0.00 C ATOM 1605 CD1 TYR A 104 -18.345 8.235 4.357 1.00 0.00 C ATOM 1606 CD2 TYR A 104 -19.968 7.288 5.887 1.00 0.00 C ATOM 1607 CE1 TYR A 104 -19.251 8.063 3.292 1.00 0.00 C ATOM 1608 CE2 TYR A 104 -20.870 7.112 4.830 1.00 0.00 C ATOM 1609 CZ TYR A 104 -20.507 7.502 3.532 1.00 0.00 C ATOM 1610 OH TYR A 104 -21.386 7.320 2.509 1.00 0.00 O ATOM 0 H TYR A 104 -15.652 7.857 5.674 1.00 0.00 H new ATOM 0 HA TYR A 104 -17.276 10.065 6.225 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -17.205 7.145 7.036 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -18.400 8.202 7.763 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -17.372 8.664 4.168 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -20.252 6.986 6.884 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -18.975 8.364 2.292 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -21.842 6.678 5.013 1.00 0.00 H new ATOM 0 HH TYR A 104 -22.210 6.917 2.854 1.00 0.00 H new