USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 781 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 102 TYR OH : rot -49:sc= -0.616 USER MOD Set 1.2: A 110 CYS SG : rot 100:sc= -4.58! USER MOD Set 2.1: A 65 SER OG : rot 0:sc= 0.684 USER MOD Set 2.2: A 74 HIS : no HD1:sc= -1.74! C(o=-1.1!,f=-4.7!) USER MOD Set 3.1: A 26 HIS : no HD1:sc= -7.17! C(o=-8.5!,f=-10!) USER MOD Set 3.2: A 96 THR OG1 : rot -56:sc= -1.38! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -34:sc= 0.74 USER MOD Single : A 33 MET CE :methyl -161:sc= -2.07 (180deg=-3.82) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 84:sc= 0.54 USER MOD Single : A 67 LYS NZ :NH3+ -179:sc= 0.433 (180deg=0.432) USER MOD Single : A 68 TYR OH : rot -109:sc= 0.442 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 73 LYS NZ :NH3+ -127:sc= 0.841 (180deg=-0.241) USER MOD Single : A 76 LYS NZ :NH3+ -149:sc= -0.896 (180deg=-1.55) USER MOD Single : A 78 MET CE :methyl -124:sc= 0 (180deg=-1.09) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0016 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 151:sc= -0.641 (180deg=-1.61!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.832 K(o=-0.83,f=-3.3!) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= -9.59! C(o=-9.6!,f=-8.4!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 92:sc= 1.27 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -2.96! C(o=-3!,f=-4.8!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 296 N LEU A 23 3.360 -10.713 -9.211 1.00 0.00 N ATOM 297 CA LEU A 23 3.295 -9.413 -8.551 1.00 0.00 C ATOM 298 C LEU A 23 4.253 -8.422 -9.205 1.00 0.00 C ATOM 299 O LEU A 23 4.097 -7.209 -9.066 1.00 0.00 O ATOM 300 CB LEU A 23 3.627 -9.557 -7.065 1.00 0.00 C ATOM 301 CG LEU A 23 2.887 -10.665 -6.316 1.00 0.00 C ATOM 302 CD1 LEU A 23 3.432 -10.812 -4.904 1.00 0.00 C ATOM 303 CD2 LEU A 23 1.392 -10.382 -6.285 1.00 0.00 C ATOM 0 HA LEU A 23 2.280 -9.030 -8.655 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.698 -9.733 -6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.414 -8.608 -6.572 1.00 0.00 H new ATOM 0 HG LEU A 23 3.048 -11.604 -6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.893 -11.605 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.492 -11.062 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.302 -9.874 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.881 -11.181 -5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.212 -9.433 -5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.011 -10.329 -7.305 1.00 0.00 H new ATOM 315 N SER A 24 5.243 -8.948 -9.920 1.00 0.00 N ATOM 316 CA SER A 24 6.227 -8.109 -10.594 1.00 0.00 C ATOM 317 C SER A 24 5.549 -7.152 -11.569 1.00 0.00 C ATOM 318 O SER A 24 5.970 -6.006 -11.726 1.00 0.00 O ATOM 319 CB SER A 24 7.244 -8.977 -11.337 1.00 0.00 C ATOM 320 OG SER A 24 8.347 -9.296 -10.506 1.00 0.00 O ATOM 0 H SER A 24 5.385 -9.950 -10.047 1.00 0.00 H new ATOM 0 HA SER A 24 6.746 -7.521 -9.837 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.764 -9.894 -11.677 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.594 -8.452 -12.226 1.00 0.00 H new ATOM 0 HG SER A 24 8.981 -9.853 -11.004 1.00 0.00 H new ATOM 326 N VAL A 25 4.496 -7.632 -12.223 1.00 0.00 N ATOM 327 CA VAL A 25 3.757 -6.820 -13.183 1.00 0.00 C ATOM 328 C VAL A 25 3.254 -5.532 -12.541 1.00 0.00 C ATOM 329 O VAL A 25 2.881 -4.584 -13.234 1.00 0.00 O ATOM 330 CB VAL A 25 2.559 -7.592 -13.766 1.00 0.00 C ATOM 331 CG1 VAL A 25 3.012 -8.925 -14.342 1.00 0.00 C ATOM 332 CG2 VAL A 25 1.489 -7.796 -12.705 1.00 0.00 C ATOM 0 H VAL A 25 4.135 -8.579 -12.106 1.00 0.00 H new ATOM 0 HA VAL A 25 4.449 -6.575 -13.989 1.00 0.00 H new ATOM 0 HB VAL A 25 2.128 -7.002 -14.575 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.152 -9.456 -14.749 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.739 -8.750 -15.135 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.470 -9.525 -13.555 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.650 -8.343 -13.135 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.905 -8.364 -11.873 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.144 -6.827 -12.345 1.00 0.00 H new ATOM 342 N HIS A 26 3.246 -5.503 -11.212 1.00 0.00 N ATOM 343 CA HIS A 26 2.789 -4.330 -10.475 1.00 0.00 C ATOM 344 C HIS A 26 3.901 -3.291 -10.365 1.00 0.00 C ATOM 345 O HIS A 26 5.080 -3.609 -10.524 1.00 0.00 O ATOM 346 CB HIS A 26 2.311 -4.732 -9.080 1.00 0.00 C ATOM 347 CG HIS A 26 1.318 -5.854 -9.087 1.00 0.00 C ATOM 348 ND1 HIS A 26 0.246 -5.905 -9.952 1.00 0.00 N ATOM 349 CD2 HIS A 26 1.241 -6.973 -8.329 1.00 0.00 C ATOM 350 CE1 HIS A 26 -0.449 -7.005 -9.725 1.00 0.00 C ATOM 351 NE2 HIS A 26 0.134 -7.671 -8.745 1.00 0.00 N ATOM 0 H HIS A 26 3.551 -6.278 -10.623 1.00 0.00 H new ATOM 0 HA HIS A 26 1.956 -3.889 -11.023 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.173 -5.024 -8.480 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.864 -3.865 -8.594 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.923 -7.263 -7.543 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.342 -7.308 -10.251 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.186 -8.560 -8.360 1.00 0.00 H new ATOM 359 N LEU A 27 3.517 -2.049 -10.093 1.00 0.00 N ATOM 360 CA LEU A 27 4.481 -0.962 -9.963 1.00 0.00 C ATOM 361 C LEU A 27 4.995 -0.858 -8.530 1.00 0.00 C ATOM 362 O LEU A 27 6.160 -0.535 -8.300 1.00 0.00 O ATOM 363 CB LEU A 27 3.846 0.364 -10.386 1.00 0.00 C ATOM 364 CG LEU A 27 3.590 0.538 -11.883 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.801 1.811 -12.145 1.00 0.00 C ATOM 366 CD2 LEU A 27 4.904 0.556 -12.650 1.00 0.00 C ATOM 0 H LEU A 27 2.545 -1.769 -9.958 1.00 0.00 H new ATOM 0 HA LEU A 27 5.325 -1.179 -10.618 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.897 0.474 -9.860 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.491 1.176 -10.051 1.00 0.00 H new ATOM 0 HG LEU A 27 3.000 -0.309 -12.232 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.628 1.918 -13.216 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.844 1.759 -11.626 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.365 2.670 -11.781 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.703 0.681 -13.714 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.520 1.384 -12.298 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.433 -0.383 -12.488 1.00 0.00 H new ATOM 378 N TRP A 28 4.118 -1.137 -7.572 1.00 0.00 N ATOM 379 CA TRP A 28 4.484 -1.077 -6.161 1.00 0.00 C ATOM 380 C TRP A 28 5.183 -2.360 -5.725 1.00 0.00 C ATOM 381 O TRP A 28 5.254 -2.666 -4.535 1.00 0.00 O ATOM 382 CB TRP A 28 3.241 -0.842 -5.301 1.00 0.00 C ATOM 383 CG TRP A 28 2.028 -1.568 -5.798 1.00 0.00 C ATOM 384 CD1 TRP A 28 0.958 -1.026 -6.450 1.00 0.00 C ATOM 385 CD2 TRP A 28 1.761 -2.970 -5.680 1.00 0.00 C ATOM 386 NE1 TRP A 28 0.041 -2.006 -6.745 1.00 0.00 N ATOM 387 CE2 TRP A 28 0.511 -3.208 -6.284 1.00 0.00 C ATOM 388 CE3 TRP A 28 2.456 -4.047 -5.125 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -0.056 -4.478 -6.346 1.00 0.00 C ATOM 390 CZ3 TRP A 28 1.892 -5.307 -5.187 1.00 0.00 C ATOM 391 CH2 TRP A 28 0.647 -5.514 -5.795 1.00 0.00 C ATOM 0 H TRP A 28 3.150 -1.407 -7.746 1.00 0.00 H new ATOM 0 HA TRP A 28 5.175 -0.245 -6.025 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.451 -1.157 -4.279 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.028 0.226 -5.268 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.848 0.020 -6.698 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.846 -1.862 -7.229 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.417 -3.898 -4.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -1.017 -4.639 -6.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.420 -6.147 -4.759 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.234 -6.511 -5.829 1.00 0.00 H new ATOM 402 N TYR A 29 5.699 -3.106 -6.696 1.00 0.00 N ATOM 403 CA TYR A 29 6.391 -4.358 -6.411 1.00 0.00 C ATOM 404 C TYR A 29 7.876 -4.246 -6.742 1.00 0.00 C ATOM 405 O TYR A 29 8.284 -4.425 -7.889 1.00 0.00 O ATOM 406 CB TYR A 29 5.765 -5.504 -7.208 1.00 0.00 C ATOM 407 CG TYR A 29 6.053 -6.871 -6.631 1.00 0.00 C ATOM 408 CD1 TYR A 29 5.319 -7.362 -5.558 1.00 0.00 C ATOM 409 CD2 TYR A 29 7.060 -7.671 -7.157 1.00 0.00 C ATOM 410 CE1 TYR A 29 5.579 -8.611 -5.027 1.00 0.00 C ATOM 411 CE2 TYR A 29 7.326 -8.921 -6.632 1.00 0.00 C ATOM 412 CZ TYR A 29 6.583 -9.386 -5.568 1.00 0.00 C ATOM 413 OH TYR A 29 6.846 -10.631 -5.042 1.00 0.00 O ATOM 0 H TYR A 29 5.651 -2.866 -7.686 1.00 0.00 H new ATOM 0 HA TYR A 29 6.289 -4.566 -5.346 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.686 -5.358 -7.252 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.134 -5.466 -8.233 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.532 -6.757 -5.132 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.645 -7.310 -7.990 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.999 -8.978 -4.193 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.112 -9.531 -7.053 1.00 0.00 H new ATOM 0 HH TYR A 29 6.683 -10.619 -4.076 1.00 0.00 H new ATOM 423 N ALA A 30 8.681 -3.949 -5.726 1.00 0.00 N ATOM 424 CA ALA A 30 10.121 -3.815 -5.906 1.00 0.00 C ATOM 425 C ALA A 30 10.851 -5.070 -5.440 1.00 0.00 C ATOM 426 O ALA A 30 11.952 -4.994 -4.896 1.00 0.00 O ATOM 427 CB ALA A 30 10.635 -2.594 -5.158 1.00 0.00 C ATOM 0 H ALA A 30 8.360 -3.797 -4.770 1.00 0.00 H new ATOM 0 HA ALA A 30 10.319 -3.685 -6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.712 -2.506 -5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.144 -1.699 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.418 -2.700 -4.095 1.00 0.00 H new ATOM 433 N GLY A 31 10.230 -6.226 -5.656 1.00 0.00 N ATOM 434 CA GLY A 31 10.836 -7.481 -5.251 1.00 0.00 C ATOM 435 C GLY A 31 11.599 -7.362 -3.947 1.00 0.00 C ATOM 436 O GLY A 31 11.301 -6.517 -3.103 1.00 0.00 O ATOM 0 H GLY A 31 9.318 -6.316 -6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.059 -8.239 -5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.512 -7.824 -6.034 1.00 0.00 H new ATOM 440 N PRO A 32 12.610 -8.225 -3.767 1.00 0.00 N ATOM 441 CA PRO A 32 13.439 -8.233 -2.558 1.00 0.00 C ATOM 442 C PRO A 32 14.340 -7.007 -2.465 1.00 0.00 C ATOM 443 O PRO A 32 15.467 -7.014 -2.960 1.00 0.00 O ATOM 444 CB PRO A 32 14.279 -9.504 -2.713 1.00 0.00 C ATOM 445 CG PRO A 32 14.335 -9.744 -4.182 1.00 0.00 C ATOM 446 CD PRO A 32 13.022 -9.259 -4.732 1.00 0.00 C ATOM 0 HA PRO A 32 12.836 -8.212 -1.650 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.277 -9.372 -2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.823 -10.346 -2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.169 -9.207 -4.633 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.482 -10.802 -4.399 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.133 -8.850 -5.736 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.290 -10.065 -4.795 1.00 0.00 H new ATOM 454 N MET A 33 13.837 -5.956 -1.827 1.00 0.00 N ATOM 455 CA MET A 33 14.598 -4.722 -1.667 1.00 0.00 C ATOM 456 C MET A 33 14.810 -4.401 -0.191 1.00 0.00 C ATOM 457 O MET A 33 13.878 -4.480 0.610 1.00 0.00 O ATOM 458 CB MET A 33 13.879 -3.561 -2.356 1.00 0.00 C ATOM 459 CG MET A 33 14.650 -2.252 -2.304 1.00 0.00 C ATOM 460 SD MET A 33 14.199 -1.127 -3.639 1.00 0.00 S ATOM 461 CE MET A 33 12.504 -0.747 -3.204 1.00 0.00 C ATOM 0 H MET A 33 12.905 -5.934 -1.412 1.00 0.00 H new ATOM 0 HA MET A 33 15.573 -4.863 -2.133 1.00 0.00 H new ATOM 0 HB2 MET A 33 13.696 -3.824 -3.398 1.00 0.00 H new ATOM 0 HB3 MET A 33 12.905 -3.418 -1.888 1.00 0.00 H new ATOM 0 HG2 MET A 33 14.467 -1.765 -1.346 1.00 0.00 H new ATOM 0 HG3 MET A 33 15.718 -2.462 -2.356 1.00 0.00 H new ATOM 0 HE1 MET A 33 11.984 -0.352 -4.077 1.00 0.00 H new ATOM 0 HE2 MET A 33 12.004 -1.654 -2.863 1.00 0.00 H new ATOM 0 HE3 MET A 33 12.491 -0.004 -2.407 1.00 0.00 H new ATOM 471 N GLU A 34 16.039 -4.039 0.161 1.00 0.00 N ATOM 472 CA GLU A 34 16.371 -3.707 1.542 1.00 0.00 C ATOM 473 C GLU A 34 15.647 -2.440 1.986 1.00 0.00 C ATOM 474 O GLU A 34 15.002 -1.767 1.182 1.00 0.00 O ATOM 475 CB GLU A 34 17.883 -3.524 1.696 1.00 0.00 C ATOM 476 CG GLU A 34 18.633 -4.826 1.922 1.00 0.00 C ATOM 477 CD GLU A 34 20.052 -4.604 2.411 1.00 0.00 C ATOM 478 OE1 GLU A 34 20.247 -4.514 3.641 1.00 0.00 O ATOM 479 OE2 GLU A 34 20.965 -4.520 1.564 1.00 0.00 O ATOM 0 H GLU A 34 16.821 -3.968 -0.490 1.00 0.00 H new ATOM 0 HA GLU A 34 16.045 -4.532 2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.275 -3.039 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.076 -2.853 2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.092 -5.431 2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.658 -5.393 0.991 1.00 0.00 H new ATOM 486 N ARG A 35 15.757 -2.122 3.272 1.00 0.00 N ATOM 487 CA ARG A 35 15.112 -0.937 3.824 1.00 0.00 C ATOM 488 C ARG A 35 15.700 0.334 3.220 1.00 0.00 C ATOM 489 O ARG A 35 14.981 1.147 2.639 1.00 0.00 O ATOM 490 CB ARG A 35 15.265 -0.910 5.346 1.00 0.00 C ATOM 491 CG ARG A 35 14.549 0.256 6.009 1.00 0.00 C ATOM 492 CD ARG A 35 14.457 0.069 7.516 1.00 0.00 C ATOM 493 NE ARG A 35 15.735 0.319 8.177 1.00 0.00 N ATOM 494 CZ ARG A 35 15.845 0.673 9.453 1.00 0.00 C ATOM 495 NH1 ARG A 35 14.760 0.818 10.200 1.00 0.00 N ATOM 496 NH2 ARG A 35 17.043 0.883 9.983 1.00 0.00 N ATOM 0 H ARG A 35 16.287 -2.669 3.951 1.00 0.00 H new ATOM 0 HA ARG A 35 14.052 -0.981 3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.881 -1.843 5.758 1.00 0.00 H new ATOM 0 HB3 ARG A 35 16.325 -0.864 5.596 1.00 0.00 H new ATOM 0 HG2 ARG A 35 15.078 1.183 5.788 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.547 0.354 5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.702 0.744 7.920 1.00 0.00 H new ATOM 0 HD3 ARG A 35 14.128 -0.946 7.736 1.00 0.00 H new ATOM 0 HE ARG A 35 16.589 0.216 7.630 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.837 0.658 9.796 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.848 1.090 11.179 1.00 0.00 H new ATOM 0 HH21 ARG A 35 17.880 0.773 9.411 1.00 0.00 H new ATOM 0 HH22 ARG A 35 17.127 1.155 10.963 1.00 0.00 H new ATOM 510 N ALA A 36 17.011 0.499 3.362 1.00 0.00 N ATOM 511 CA ALA A 36 17.696 1.670 2.829 1.00 0.00 C ATOM 512 C ALA A 36 17.152 2.046 1.455 1.00 0.00 C ATOM 513 O ALA A 36 16.740 3.183 1.229 1.00 0.00 O ATOM 514 CB ALA A 36 19.194 1.417 2.755 1.00 0.00 C ATOM 0 H ALA A 36 17.620 -0.164 3.842 1.00 0.00 H new ATOM 0 HA ALA A 36 17.513 2.506 3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 36 19.693 2.300 2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 36 19.577 1.205 3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 36 19.387 0.565 2.103 1.00 0.00 H new ATOM 520 N GLY A 37 17.156 1.083 0.538 1.00 0.00 N ATOM 521 CA GLY A 37 16.661 1.333 -0.803 1.00 0.00 C ATOM 522 C GLY A 37 15.331 2.060 -0.804 1.00 0.00 C ATOM 523 O GLY A 37 15.217 3.158 -1.348 1.00 0.00 O ATOM 0 H GLY A 37 17.493 0.134 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 37 17.394 1.922 -1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.554 0.385 -1.330 1.00 0.00 H new ATOM 527 N ALA A 38 14.322 1.446 -0.195 1.00 0.00 N ATOM 528 CA ALA A 38 12.994 2.042 -0.128 1.00 0.00 C ATOM 529 C ALA A 38 13.041 3.416 0.533 1.00 0.00 C ATOM 530 O ALA A 38 12.323 4.332 0.134 1.00 0.00 O ATOM 531 CB ALA A 38 12.041 1.125 0.624 1.00 0.00 C ATOM 0 H ALA A 38 14.399 0.536 0.259 1.00 0.00 H new ATOM 0 HA ALA A 38 12.629 2.170 -1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.053 1.583 0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.975 0.167 0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.411 0.967 1.637 1.00 0.00 H new ATOM 537 N GLU A 39 13.891 3.551 1.547 1.00 0.00 N ATOM 538 CA GLU A 39 14.030 4.813 2.263 1.00 0.00 C ATOM 539 C GLU A 39 14.680 5.872 1.379 1.00 0.00 C ATOM 540 O GLU A 39 14.470 7.070 1.569 1.00 0.00 O ATOM 541 CB GLU A 39 14.858 4.615 3.534 1.00 0.00 C ATOM 542 CG GLU A 39 14.202 3.697 4.552 1.00 0.00 C ATOM 543 CD GLU A 39 14.792 3.849 5.940 1.00 0.00 C ATOM 544 OE1 GLU A 39 16.034 3.815 6.065 1.00 0.00 O ATOM 545 OE2 GLU A 39 14.011 4.001 6.903 1.00 0.00 O ATOM 0 H GLU A 39 14.493 2.802 1.890 1.00 0.00 H new ATOM 0 HA GLU A 39 13.033 5.157 2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.831 4.206 3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.037 5.586 3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.133 3.908 4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.311 2.663 4.226 1.00 0.00 H new ATOM 552 N SER A 40 15.473 5.422 0.411 1.00 0.00 N ATOM 553 CA SER A 40 16.158 6.330 -0.501 1.00 0.00 C ATOM 554 C SER A 40 15.338 6.550 -1.768 1.00 0.00 C ATOM 555 O SER A 40 15.461 7.581 -2.429 1.00 0.00 O ATOM 556 CB SER A 40 17.538 5.777 -0.863 1.00 0.00 C ATOM 557 OG SER A 40 18.092 6.472 -1.967 1.00 0.00 O ATOM 0 H SER A 40 15.657 4.434 0.239 1.00 0.00 H new ATOM 0 HA SER A 40 16.279 7.289 0.003 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.204 5.862 -0.004 1.00 0.00 H new ATOM 0 HB3 SER A 40 17.457 4.716 -1.100 1.00 0.00 H new ATOM 0 HG SER A 40 18.974 6.101 -2.178 1.00 0.00 H new ATOM 563 N ILE A 41 14.500 5.573 -2.099 1.00 0.00 N ATOM 564 CA ILE A 41 13.659 5.659 -3.286 1.00 0.00 C ATOM 565 C ILE A 41 12.516 6.647 -3.079 1.00 0.00 C ATOM 566 O ILE A 41 12.330 7.574 -3.869 1.00 0.00 O ATOM 567 CB ILE A 41 13.072 4.285 -3.662 1.00 0.00 C ATOM 568 CG1 ILE A 41 14.178 3.356 -4.167 1.00 0.00 C ATOM 569 CG2 ILE A 41 11.984 4.443 -4.713 1.00 0.00 C ATOM 570 CD1 ILE A 41 13.890 1.890 -3.931 1.00 0.00 C ATOM 0 H ILE A 41 14.386 4.713 -1.562 1.00 0.00 H new ATOM 0 HA ILE A 41 14.296 6.008 -4.099 1.00 0.00 H new ATOM 0 HB ILE A 41 12.627 3.840 -2.772 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.322 3.522 -5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.114 3.618 -3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.579 3.464 -4.968 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.187 5.074 -4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.405 4.905 -5.606 1.00 0.00 H new ATOM 0 HD11 ILE A 41 14.716 1.291 -4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.775 1.709 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.971 1.612 -4.447 1.00 0.00 H new ATOM 582 N LEU A 42 11.753 6.445 -2.010 1.00 0.00 N ATOM 583 CA LEU A 42 10.628 7.319 -1.696 1.00 0.00 C ATOM 584 C LEU A 42 11.114 8.646 -1.123 1.00 0.00 C ATOM 585 O LEU A 42 10.363 9.619 -1.062 1.00 0.00 O ATOM 586 CB LEU A 42 9.686 6.635 -0.703 1.00 0.00 C ATOM 587 CG LEU A 42 9.254 5.213 -1.060 1.00 0.00 C ATOM 588 CD1 LEU A 42 8.607 4.536 0.139 1.00 0.00 C ATOM 589 CD2 LEU A 42 8.300 5.227 -2.245 1.00 0.00 C ATOM 0 H LEU A 42 11.893 5.683 -1.346 1.00 0.00 H new ATOM 0 HA LEU A 42 10.086 7.520 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.173 6.612 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.792 7.250 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 42 10.140 4.643 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.306 3.524 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.321 4.493 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.730 5.105 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.003 4.206 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.416 5.813 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.797 5.672 -3.107 1.00 0.00 H new ATOM 601 N ALA A 43 12.375 8.679 -0.706 1.00 0.00 N ATOM 602 CA ALA A 43 12.962 9.887 -0.141 1.00 0.00 C ATOM 603 C ALA A 43 12.680 11.099 -1.024 1.00 0.00 C ATOM 604 O ALA A 43 12.250 12.144 -0.539 1.00 0.00 O ATOM 605 CB ALA A 43 14.461 9.707 0.048 1.00 0.00 C ATOM 0 H ALA A 43 13.010 7.882 -0.749 1.00 0.00 H new ATOM 0 HA ALA A 43 12.503 10.064 0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.886 10.617 0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.645 8.872 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.927 9.502 -0.916 1.00 0.00 H new ATOM 611 N ASN A 44 12.926 10.949 -2.321 1.00 0.00 N ATOM 612 CA ASN A 44 12.699 12.032 -3.271 1.00 0.00 C ATOM 613 C ASN A 44 11.252 12.037 -3.755 1.00 0.00 C ATOM 614 O ASN A 44 10.689 13.092 -4.052 1.00 0.00 O ATOM 615 CB ASN A 44 13.647 11.899 -4.465 1.00 0.00 C ATOM 616 CG ASN A 44 15.105 11.997 -4.059 1.00 0.00 C ATOM 617 OD1 ASN A 44 15.834 11.006 -4.077 1.00 0.00 O ATOM 618 ND2 ASN A 44 15.536 13.198 -3.689 1.00 0.00 N ATOM 0 H ASN A 44 13.282 10.089 -2.738 1.00 0.00 H new ATOM 0 HA ASN A 44 12.897 12.975 -2.762 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.474 10.943 -4.958 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.422 12.679 -5.193 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.507 13.326 -3.405 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.896 13.992 -3.689 1.00 0.00 H new ATOM 625 N ARG A 45 10.655 10.852 -3.832 1.00 0.00 N ATOM 626 CA ARG A 45 9.274 10.720 -4.280 1.00 0.00 C ATOM 627 C ARG A 45 8.379 11.747 -3.594 1.00 0.00 C ATOM 628 O ARG A 45 8.815 12.461 -2.691 1.00 0.00 O ATOM 629 CB ARG A 45 8.758 9.308 -3.998 1.00 0.00 C ATOM 630 CG ARG A 45 9.430 8.234 -4.839 1.00 0.00 C ATOM 631 CD ARG A 45 8.908 8.237 -6.267 1.00 0.00 C ATOM 632 NE ARG A 45 9.679 9.128 -7.129 1.00 0.00 N ATOM 633 CZ ARG A 45 9.198 9.674 -8.241 1.00 0.00 C ATOM 634 NH1 ARG A 45 7.954 9.421 -8.622 1.00 0.00 N ATOM 635 NH2 ARG A 45 9.962 10.475 -8.973 1.00 0.00 N ATOM 0 H ARG A 45 11.106 9.970 -3.590 1.00 0.00 H new ATOM 0 HA ARG A 45 9.248 10.902 -5.354 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.909 9.079 -2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.684 9.280 -4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.508 8.396 -4.844 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.257 7.256 -4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.943 7.224 -6.668 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.862 8.545 -6.270 1.00 0.00 H new ATOM 0 HE ARG A 45 10.640 9.343 -6.863 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.364 8.806 -8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.587 9.841 -9.476 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.920 10.672 -8.682 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.592 10.893 -9.826 1.00 0.00 H new ATOM 649 N SER A 46 7.125 11.817 -4.030 1.00 0.00 N ATOM 650 CA SER A 46 6.169 12.760 -3.461 1.00 0.00 C ATOM 651 C SER A 46 5.342 12.099 -2.363 1.00 0.00 C ATOM 652 O SER A 46 4.821 10.997 -2.541 1.00 0.00 O ATOM 653 CB SER A 46 5.246 13.304 -4.553 1.00 0.00 C ATOM 654 OG SER A 46 5.749 14.516 -5.088 1.00 0.00 O ATOM 0 H SER A 46 6.747 11.232 -4.775 1.00 0.00 H new ATOM 0 HA SER A 46 6.728 13.587 -3.023 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.144 12.566 -5.349 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.250 13.470 -4.143 1.00 0.00 H new ATOM 0 HG SER A 46 5.142 14.843 -5.785 1.00 0.00 H new ATOM 660 N ASP A 47 5.226 12.779 -1.228 1.00 0.00 N ATOM 661 CA ASP A 47 4.461 12.259 -0.100 1.00 0.00 C ATOM 662 C ASP A 47 3.255 11.460 -0.583 1.00 0.00 C ATOM 663 O ASP A 47 2.403 11.977 -1.304 1.00 0.00 O ATOM 664 CB ASP A 47 4.001 13.405 0.803 1.00 0.00 C ATOM 665 CG ASP A 47 5.129 13.965 1.648 1.00 0.00 C ATOM 666 OD1 ASP A 47 5.904 13.163 2.208 1.00 0.00 O ATOM 667 OD2 ASP A 47 5.234 15.205 1.750 1.00 0.00 O ATOM 0 H ASP A 47 5.652 13.691 -1.064 1.00 0.00 H new ATOM 0 HA ASP A 47 5.109 11.594 0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.581 14.202 0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.203 13.051 1.456 1.00 0.00 H new ATOM 672 N GLY A 48 3.191 10.194 -0.181 1.00 0.00 N ATOM 673 CA GLY A 48 2.086 9.343 -0.584 1.00 0.00 C ATOM 674 C GLY A 48 2.538 8.164 -1.421 1.00 0.00 C ATOM 675 O GLY A 48 1.827 7.165 -1.536 1.00 0.00 O ATOM 0 H GLY A 48 3.884 9.743 0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.570 8.978 0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.366 9.932 -1.151 1.00 0.00 H new ATOM 679 N THR A 49 3.724 8.278 -2.010 1.00 0.00 N ATOM 680 CA THR A 49 4.270 7.214 -2.844 1.00 0.00 C ATOM 681 C THR A 49 4.547 5.960 -2.023 1.00 0.00 C ATOM 682 O THR A 49 5.459 5.935 -1.197 1.00 0.00 O ATOM 683 CB THR A 49 5.571 7.656 -3.540 1.00 0.00 C ATOM 684 OG1 THR A 49 5.420 8.980 -4.065 1.00 0.00 O ATOM 685 CG2 THR A 49 5.936 6.698 -4.663 1.00 0.00 C ATOM 0 H THR A 49 4.326 9.097 -1.925 1.00 0.00 H new ATOM 0 HA THR A 49 3.520 6.991 -3.602 1.00 0.00 H new ATOM 0 HB THR A 49 6.373 7.648 -2.802 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.591 9.635 -3.356 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.858 7.031 -5.140 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.079 5.697 -4.255 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.133 6.679 -5.400 1.00 0.00 H new ATOM 693 N PHE A 50 3.754 4.919 -2.257 1.00 0.00 N ATOM 694 CA PHE A 50 3.915 3.660 -1.538 1.00 0.00 C ATOM 695 C PHE A 50 4.691 2.649 -2.377 1.00 0.00 C ATOM 696 O PHE A 50 4.651 2.687 -3.608 1.00 0.00 O ATOM 697 CB PHE A 50 2.547 3.085 -1.162 1.00 0.00 C ATOM 698 CG PHE A 50 1.790 2.526 -2.333 1.00 0.00 C ATOM 699 CD1 PHE A 50 1.087 3.363 -3.184 1.00 0.00 C ATOM 700 CD2 PHE A 50 1.782 1.163 -2.583 1.00 0.00 C ATOM 701 CE1 PHE A 50 0.389 2.851 -4.262 1.00 0.00 C ATOM 702 CE2 PHE A 50 1.086 0.645 -3.659 1.00 0.00 C ATOM 703 CZ PHE A 50 0.390 1.491 -4.500 1.00 0.00 C ATOM 0 H PHE A 50 2.995 4.922 -2.938 1.00 0.00 H new ATOM 0 HA PHE A 50 4.481 3.860 -0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.684 2.299 -0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.950 3.867 -0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.084 4.428 -3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.326 0.497 -1.929 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.156 3.514 -4.917 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.086 -0.419 -3.842 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.153 1.089 -5.343 1.00 0.00 H new ATOM 713 N LEU A 51 5.397 1.748 -1.704 1.00 0.00 N ATOM 714 CA LEU A 51 6.183 0.726 -2.386 1.00 0.00 C ATOM 715 C LEU A 51 6.271 -0.544 -1.547 1.00 0.00 C ATOM 716 O LEU A 51 6.603 -0.497 -0.363 1.00 0.00 O ATOM 717 CB LEU A 51 7.588 1.252 -2.686 1.00 0.00 C ATOM 718 CG LEU A 51 8.658 0.943 -1.637 1.00 0.00 C ATOM 719 CD1 LEU A 51 9.214 -0.458 -1.839 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.774 1.975 -1.694 1.00 0.00 C ATOM 0 H LEU A 51 5.441 1.704 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 51 5.684 0.484 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.913 0.838 -3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.531 2.333 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 51 8.197 0.990 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.974 -0.660 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.408 -1.186 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.659 -0.533 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.526 1.740 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.233 1.960 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.364 2.966 -1.499 1.00 0.00 H new ATOM 732 N VAL A 52 5.974 -1.681 -2.170 1.00 0.00 N ATOM 733 CA VAL A 52 6.023 -2.965 -1.482 1.00 0.00 C ATOM 734 C VAL A 52 7.365 -3.655 -1.700 1.00 0.00 C ATOM 735 O VAL A 52 7.768 -3.907 -2.835 1.00 0.00 O ATOM 736 CB VAL A 52 4.895 -3.900 -1.958 1.00 0.00 C ATOM 737 CG1 VAL A 52 4.831 -5.146 -1.089 1.00 0.00 C ATOM 738 CG2 VAL A 52 3.560 -3.169 -1.954 1.00 0.00 C ATOM 0 H VAL A 52 5.697 -1.738 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 52 5.892 -2.760 -0.420 1.00 0.00 H new ATOM 0 HB VAL A 52 5.111 -4.210 -2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.028 -5.794 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.780 -5.679 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.639 -4.859 -0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.774 -3.844 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.335 -2.828 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.614 -2.310 -2.623 1.00 0.00 H new ATOM 748 N ARG A 53 8.052 -3.958 -0.604 1.00 0.00 N ATOM 749 CA ARG A 53 9.350 -4.618 -0.675 1.00 0.00 C ATOM 750 C ARG A 53 9.375 -5.865 0.205 1.00 0.00 C ATOM 751 O ARG A 53 8.670 -5.939 1.211 1.00 0.00 O ATOM 752 CB ARG A 53 10.460 -3.656 -0.245 1.00 0.00 C ATOM 753 CG ARG A 53 10.497 -3.399 1.252 1.00 0.00 C ATOM 754 CD ARG A 53 11.406 -2.229 1.594 1.00 0.00 C ATOM 755 NE ARG A 53 11.291 -1.837 2.997 1.00 0.00 N ATOM 756 CZ ARG A 53 11.761 -2.565 4.004 1.00 0.00 C ATOM 757 NH1 ARG A 53 12.376 -3.715 3.764 1.00 0.00 N ATOM 758 NH2 ARG A 53 11.618 -2.142 5.253 1.00 0.00 N ATOM 0 H ARG A 53 7.732 -3.757 0.343 1.00 0.00 H new ATOM 0 HA ARG A 53 9.520 -4.920 -1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.422 -4.061 -0.559 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.328 -2.707 -0.765 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.489 -3.195 1.612 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.845 -4.294 1.767 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.440 -2.498 1.376 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.157 -1.379 0.959 1.00 0.00 H new ATOM 0 HE ARG A 53 10.824 -0.957 3.215 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.489 -4.042 2.805 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.736 -4.272 4.539 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.147 -1.257 5.441 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.979 -2.702 6.025 1.00 0.00 H new ATOM 898 N PHE A 62 6.607 -9.661 3.112 1.00 0.00 N ATOM 899 CA PHE A 62 6.521 -8.410 2.366 1.00 0.00 C ATOM 900 C PHE A 62 6.347 -7.225 3.312 1.00 0.00 C ATOM 901 O PHE A 62 6.111 -7.399 4.506 1.00 0.00 O ATOM 902 CB PHE A 62 5.356 -8.462 1.375 1.00 0.00 C ATOM 903 CG PHE A 62 5.601 -9.376 0.210 1.00 0.00 C ATOM 904 CD1 PHE A 62 5.392 -10.741 0.327 1.00 0.00 C ATOM 905 CD2 PHE A 62 6.041 -8.871 -1.004 1.00 0.00 C ATOM 906 CE1 PHE A 62 5.617 -11.585 -0.744 1.00 0.00 C ATOM 907 CE2 PHE A 62 6.267 -9.710 -2.079 1.00 0.00 C ATOM 908 CZ PHE A 62 6.054 -11.069 -1.949 1.00 0.00 C ATOM 0 HA PHE A 62 7.452 -8.279 1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.458 -8.788 1.899 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.161 -7.456 1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.049 -11.150 1.266 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.209 -7.810 -1.111 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.451 -12.647 -0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.610 -9.304 -3.019 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.229 -11.727 -2.788 1.00 0.00 H new ATOM 918 N ALA A 63 6.467 -6.019 2.766 1.00 0.00 N ATOM 919 CA ALA A 63 6.322 -4.804 3.559 1.00 0.00 C ATOM 920 C ALA A 63 5.964 -3.613 2.678 1.00 0.00 C ATOM 921 O ALA A 63 6.609 -3.367 1.658 1.00 0.00 O ATOM 922 CB ALA A 63 7.602 -4.524 4.334 1.00 0.00 C ATOM 0 H ALA A 63 6.664 -5.857 1.778 1.00 0.00 H new ATOM 0 HA ALA A 63 5.507 -4.957 4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.480 -3.614 4.922 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.814 -5.360 5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.429 -4.397 3.636 1.00 0.00 H new ATOM 928 N ILE A 64 4.932 -2.877 3.077 1.00 0.00 N ATOM 929 CA ILE A 64 4.488 -1.711 2.322 1.00 0.00 C ATOM 930 C ILE A 64 5.058 -0.426 2.912 1.00 0.00 C ATOM 931 O ILE A 64 4.613 0.039 3.962 1.00 0.00 O ATOM 932 CB ILE A 64 2.952 -1.612 2.292 1.00 0.00 C ATOM 933 CG1 ILE A 64 2.370 -2.664 1.346 1.00 0.00 C ATOM 934 CG2 ILE A 64 2.520 -0.215 1.869 1.00 0.00 C ATOM 935 CD1 ILE A 64 1.046 -3.230 1.812 1.00 0.00 C ATOM 0 H ILE A 64 4.388 -3.067 3.918 1.00 0.00 H new ATOM 0 HA ILE A 64 4.856 -1.835 1.303 1.00 0.00 H new ATOM 0 HB ILE A 64 2.570 -1.802 3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.239 -2.221 0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.086 -3.479 1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.432 -0.160 1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.909 0.516 2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.909 0.001 0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.693 -3.969 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.175 -3.703 2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.315 -2.426 1.894 1.00 0.00 H new ATOM 947 N SER A 65 6.045 0.146 2.229 1.00 0.00 N ATOM 948 CA SER A 65 6.677 1.378 2.686 1.00 0.00 C ATOM 949 C SER A 65 6.318 2.545 1.772 1.00 0.00 C ATOM 950 O SER A 65 6.435 2.449 0.550 1.00 0.00 O ATOM 951 CB SER A 65 8.196 1.207 2.740 1.00 0.00 C ATOM 952 OG SER A 65 8.805 2.271 3.450 1.00 0.00 O ATOM 0 H SER A 65 6.424 -0.224 1.357 1.00 0.00 H new ATOM 0 HA SER A 65 6.307 1.597 3.688 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.441 0.259 3.219 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.596 1.166 1.727 1.00 0.00 H new ATOM 0 HG SER A 65 8.115 2.893 3.762 1.00 0.00 H new ATOM 958 N ILE A 66 5.879 3.646 2.373 1.00 0.00 N ATOM 959 CA ILE A 66 5.504 4.832 1.614 1.00 0.00 C ATOM 960 C ILE A 66 6.080 6.095 2.246 1.00 0.00 C ATOM 961 O ILE A 66 6.582 6.067 3.370 1.00 0.00 O ATOM 962 CB ILE A 66 3.973 4.975 1.513 1.00 0.00 C ATOM 963 CG1 ILE A 66 3.451 5.893 2.619 1.00 0.00 C ATOM 964 CG2 ILE A 66 3.308 3.609 1.593 1.00 0.00 C ATOM 965 CD1 ILE A 66 3.856 5.456 4.010 1.00 0.00 C ATOM 0 H ILE A 66 5.774 3.741 3.383 1.00 0.00 H new ATOM 0 HA ILE A 66 5.917 4.709 0.613 1.00 0.00 H new ATOM 0 HB ILE A 66 3.727 5.422 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.818 6.904 2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.363 5.934 2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.227 3.726 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.661 2.984 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.559 3.137 2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.451 6.154 4.743 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.466 4.457 4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.943 5.442 4.085 1.00 0.00 H new ATOM 977 N LYS A 67 6.002 7.203 1.517 1.00 0.00 N ATOM 978 CA LYS A 67 6.512 8.478 2.006 1.00 0.00 C ATOM 979 C LYS A 67 5.421 9.258 2.734 1.00 0.00 C ATOM 980 O LYS A 67 4.443 9.692 2.125 1.00 0.00 O ATOM 981 CB LYS A 67 7.060 9.311 0.845 1.00 0.00 C ATOM 982 CG LYS A 67 7.690 10.622 1.281 1.00 0.00 C ATOM 983 CD LYS A 67 9.057 10.403 1.907 1.00 0.00 C ATOM 984 CE LYS A 67 9.683 11.716 2.353 1.00 0.00 C ATOM 985 NZ LYS A 67 10.393 12.399 1.236 1.00 0.00 N ATOM 0 H LYS A 67 5.590 7.244 0.585 1.00 0.00 H new ATOM 0 HA LYS A 67 7.318 8.272 2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.802 8.723 0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.251 9.521 0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.785 11.285 0.421 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.037 11.120 1.997 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.964 9.734 2.763 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.713 9.912 1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.907 12.373 2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.383 11.527 3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.820 13.281 1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.139 11.776 0.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.717 12.618 0.477 1.00 0.00 H new ATOM 999 N TYR A 68 5.597 9.434 4.039 1.00 0.00 N ATOM 1000 CA TYR A 68 4.627 10.161 4.849 1.00 0.00 C ATOM 1001 C TYR A 68 5.324 10.978 5.932 1.00 0.00 C ATOM 1002 O TYR A 68 6.352 10.567 6.469 1.00 0.00 O ATOM 1003 CB TYR A 68 3.634 9.188 5.488 1.00 0.00 C ATOM 1004 CG TYR A 68 2.340 9.841 5.921 1.00 0.00 C ATOM 1005 CD1 TYR A 68 2.217 10.415 7.181 1.00 0.00 C ATOM 1006 CD2 TYR A 68 1.242 9.882 5.072 1.00 0.00 C ATOM 1007 CE1 TYR A 68 1.037 11.012 7.581 1.00 0.00 C ATOM 1008 CE2 TYR A 68 0.058 10.478 5.463 1.00 0.00 C ATOM 1009 CZ TYR A 68 -0.039 11.041 6.718 1.00 0.00 C ATOM 1010 OH TYR A 68 -1.217 11.634 7.112 1.00 0.00 O ATOM 0 H TYR A 68 6.402 9.083 4.558 1.00 0.00 H new ATOM 0 HA TYR A 68 4.086 10.845 4.195 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.410 8.392 4.778 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.103 8.720 6.354 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.058 10.394 7.859 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.315 9.440 4.089 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.957 11.453 8.563 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.786 10.503 4.790 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.897 10.944 7.260 1.00 0.00 H new ATOM 1020 N ASN A 69 4.757 12.137 6.248 1.00 0.00 N ATOM 1021 CA ASN A 69 5.323 13.013 7.267 1.00 0.00 C ATOM 1022 C ASN A 69 6.805 13.267 7.004 1.00 0.00 C ATOM 1023 O ASN A 69 7.592 13.432 7.935 1.00 0.00 O ATOM 1024 CB ASN A 69 5.138 12.400 8.656 1.00 0.00 C ATOM 1025 CG ASN A 69 4.976 13.453 9.736 1.00 0.00 C ATOM 1026 OD1 ASN A 69 5.698 14.450 9.760 1.00 0.00 O ATOM 1027 ND2 ASN A 69 4.025 13.235 10.636 1.00 0.00 N ATOM 0 H ASN A 69 3.905 12.492 5.813 1.00 0.00 H new ATOM 0 HA ASN A 69 4.796 13.966 7.225 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.262 11.752 8.650 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.998 11.772 8.891 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.869 13.908 11.386 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.450 12.394 10.577 1.00 0.00 H new ATOM 1034 N VAL A 70 7.177 13.298 5.728 1.00 0.00 N ATOM 1035 CA VAL A 70 8.563 13.533 5.341 1.00 0.00 C ATOM 1036 C VAL A 70 9.466 12.403 5.821 1.00 0.00 C ATOM 1037 O VAL A 70 10.667 12.594 6.013 1.00 0.00 O ATOM 1038 CB VAL A 70 9.084 14.867 5.907 1.00 0.00 C ATOM 1039 CG1 VAL A 70 7.941 15.853 6.090 1.00 0.00 C ATOM 1040 CG2 VAL A 70 9.818 14.639 7.220 1.00 0.00 C ATOM 0 H VAL A 70 6.538 13.163 4.945 1.00 0.00 H new ATOM 0 HA VAL A 70 8.586 13.575 4.252 1.00 0.00 H new ATOM 0 HB VAL A 70 9.789 15.293 5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.329 16.789 6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.464 16.040 5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.209 15.437 6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.179 15.593 7.605 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.138 14.189 7.944 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.663 13.972 7.053 1.00 0.00 H new ATOM 1050 N GLU A 71 8.881 11.224 6.011 1.00 0.00 N ATOM 1051 CA GLU A 71 9.634 10.063 6.469 1.00 0.00 C ATOM 1052 C GLU A 71 9.124 8.787 5.804 1.00 0.00 C ATOM 1053 O GLU A 71 7.918 8.592 5.653 1.00 0.00 O ATOM 1054 CB GLU A 71 9.539 9.932 7.990 1.00 0.00 C ATOM 1055 CG GLU A 71 8.181 10.323 8.551 1.00 0.00 C ATOM 1056 CD GLU A 71 8.166 10.365 10.066 1.00 0.00 C ATOM 1057 OE1 GLU A 71 9.258 10.353 10.672 1.00 0.00 O ATOM 1058 OE2 GLU A 71 7.061 10.411 10.647 1.00 0.00 O ATOM 0 H GLU A 71 7.888 11.048 5.855 1.00 0.00 H new ATOM 0 HA GLU A 71 10.678 10.206 6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.756 8.902 8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.306 10.556 8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.899 11.301 8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.430 9.613 8.204 1.00 0.00 H new ATOM 1065 N VAL A 72 10.052 7.921 5.409 1.00 0.00 N ATOM 1066 CA VAL A 72 9.698 6.664 4.762 1.00 0.00 C ATOM 1067 C VAL A 72 9.267 5.620 5.786 1.00 0.00 C ATOM 1068 O VAL A 72 10.102 4.952 6.397 1.00 0.00 O ATOM 1069 CB VAL A 72 10.874 6.105 3.939 1.00 0.00 C ATOM 1070 CG1 VAL A 72 10.484 4.796 3.270 1.00 0.00 C ATOM 1071 CG2 VAL A 72 11.333 7.124 2.907 1.00 0.00 C ATOM 0 H VAL A 72 11.055 8.067 5.526 1.00 0.00 H new ATOM 0 HA VAL A 72 8.865 6.877 4.093 1.00 0.00 H new ATOM 0 HB VAL A 72 11.705 5.906 4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.328 4.417 2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.208 4.067 4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.637 4.965 2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.164 6.713 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.508 7.356 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.656 8.034 3.413 1.00 0.00 H new ATOM 1081 N LYS A 73 7.959 5.484 5.970 1.00 0.00 N ATOM 1082 CA LYS A 73 7.415 4.520 6.919 1.00 0.00 C ATOM 1083 C LYS A 73 7.335 3.129 6.297 1.00 0.00 C ATOM 1084 O LYS A 73 7.161 3.022 5.084 1.00 0.00 O ATOM 1085 CB LYS A 73 6.027 4.961 7.387 1.00 0.00 C ATOM 1086 CG LYS A 73 5.927 6.449 7.678 1.00 0.00 C ATOM 1087 CD LYS A 73 6.359 6.769 9.099 1.00 0.00 C ATOM 1088 CE LYS A 73 5.558 7.926 9.677 1.00 0.00 C ATOM 1089 NZ LYS A 73 5.704 8.018 11.156 1.00 0.00 N ATOM 0 H LYS A 73 7.255 6.030 5.474 1.00 0.00 H new ATOM 0 HA LYS A 73 8.085 4.477 7.778 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.295 4.699 6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.762 4.405 8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.550 7.001 6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.901 6.783 7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.231 5.887 9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.420 7.018 9.111 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.888 8.859 9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.505 7.801 9.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.762 8.036 11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.234 7.194 11.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.217 8.889 11.401 1.00 0.00 H new ATOM 1103 N HIS A 74 7.460 2.107 7.131 1.00 0.00 N ATOM 1104 CA HIS A 74 7.398 0.737 6.649 1.00 0.00 C ATOM 1105 C HIS A 74 6.167 0.043 7.234 1.00 0.00 C ATOM 1106 O HIS A 74 5.774 0.267 8.380 1.00 0.00 O ATOM 1107 CB HIS A 74 8.700 -0.006 6.957 1.00 0.00 C ATOM 1108 CG HIS A 74 9.947 0.794 6.665 1.00 0.00 C ATOM 1109 ND1 HIS A 74 10.513 0.866 5.404 1.00 0.00 N ATOM 1110 CD2 HIS A 74 10.730 1.555 7.482 1.00 0.00 C ATOM 1111 CE1 HIS A 74 11.588 1.637 5.472 1.00 0.00 C ATOM 1112 NE2 HIS A 74 11.721 2.063 6.761 1.00 0.00 N ATOM 0 H HIS A 74 7.604 2.200 8.137 1.00 0.00 H new ATOM 0 HA HIS A 74 7.293 0.733 5.564 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.703 -0.293 8.009 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.727 -0.927 6.375 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.570 1.717 8.538 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.244 1.885 4.651 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.460 2.672 7.112 1.00 0.00 H new ATOM 1120 N ILE A 75 5.562 -0.812 6.416 1.00 0.00 N ATOM 1121 CA ILE A 75 4.376 -1.553 6.826 1.00 0.00 C ATOM 1122 C ILE A 75 4.598 -3.057 6.703 1.00 0.00 C ATOM 1123 O ILE A 75 4.425 -3.635 5.630 1.00 0.00 O ATOM 1124 CB ILE A 75 3.147 -1.156 5.988 1.00 0.00 C ATOM 1125 CG1 ILE A 75 2.905 0.352 6.080 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.919 -1.924 6.454 1.00 0.00 C ATOM 1127 CD1 ILE A 75 2.457 0.810 7.450 1.00 0.00 C ATOM 0 H ILE A 75 5.874 -1.009 5.465 1.00 0.00 H new ATOM 0 HA ILE A 75 4.190 -1.300 7.870 1.00 0.00 H new ATOM 0 HB ILE A 75 3.338 -1.411 4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.823 0.876 5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.151 0.636 5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.058 -1.633 5.852 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.095 -2.994 6.342 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.723 -1.696 7.502 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.305 1.889 7.441 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.523 0.314 7.712 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.221 0.557 8.186 1.00 0.00 H new ATOM 1139 N LYS A 76 4.981 -3.685 7.809 1.00 0.00 N ATOM 1140 CA LYS A 76 5.223 -5.123 7.828 1.00 0.00 C ATOM 1141 C LYS A 76 3.995 -5.888 7.346 1.00 0.00 C ATOM 1142 O LYS A 76 2.865 -5.555 7.703 1.00 0.00 O ATOM 1143 CB LYS A 76 5.600 -5.579 9.239 1.00 0.00 C ATOM 1144 CG LYS A 76 4.413 -6.043 10.066 1.00 0.00 C ATOM 1145 CD LYS A 76 4.725 -6.018 11.553 1.00 0.00 C ATOM 1146 CE LYS A 76 3.469 -5.796 12.381 1.00 0.00 C ATOM 1147 NZ LYS A 76 2.816 -4.496 12.064 1.00 0.00 N ATOM 0 H LYS A 76 5.131 -3.221 8.705 1.00 0.00 H new ATOM 0 HA LYS A 76 6.050 -5.336 7.151 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.323 -6.392 9.168 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.094 -4.757 9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.554 -5.403 9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.134 -7.054 9.769 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.193 -6.959 11.844 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.445 -5.226 11.762 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.766 -6.609 12.199 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.723 -5.826 13.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.340 -4.131 12.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.535 -3.814 11.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.116 -4.634 11.307 1.00 0.00 H new ATOM 1161 N ILE A 77 4.225 -6.915 6.535 1.00 0.00 N ATOM 1162 CA ILE A 77 3.137 -7.729 6.006 1.00 0.00 C ATOM 1163 C ILE A 77 3.239 -9.169 6.497 1.00 0.00 C ATOM 1164 O ILE A 77 4.325 -9.746 6.536 1.00 0.00 O ATOM 1165 CB ILE A 77 3.125 -7.723 4.466 1.00 0.00 C ATOM 1166 CG1 ILE A 77 2.965 -6.294 3.942 1.00 0.00 C ATOM 1167 CG2 ILE A 77 2.009 -8.614 3.941 1.00 0.00 C ATOM 1168 CD1 ILE A 77 3.222 -6.164 2.457 1.00 0.00 C ATOM 0 H ILE A 77 5.155 -7.203 6.230 1.00 0.00 H new ATOM 0 HA ILE A 77 2.209 -7.288 6.369 1.00 0.00 H new ATOM 0 HB ILE A 77 4.076 -8.117 4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.955 -5.946 4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.650 -5.639 4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.014 -8.599 2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.163 -9.635 4.291 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.049 -8.247 4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.091 -5.125 2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.241 -6.481 2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.519 -6.793 1.910 1.00 0.00 H new ATOM 1180 N MET A 78 2.100 -9.744 6.869 1.00 0.00 N ATOM 1181 CA MET A 78 2.061 -11.119 7.354 1.00 0.00 C ATOM 1182 C MET A 78 1.275 -12.011 6.398 1.00 0.00 C ATOM 1183 O MET A 78 0.242 -11.607 5.863 1.00 0.00 O ATOM 1184 CB MET A 78 1.436 -11.172 8.750 1.00 0.00 C ATOM 1185 CG MET A 78 1.943 -10.085 9.684 1.00 0.00 C ATOM 1186 SD MET A 78 1.619 -10.454 11.419 1.00 0.00 S ATOM 1187 CE MET A 78 -0.127 -10.071 11.526 1.00 0.00 C ATOM 0 H MET A 78 1.192 -9.280 6.844 1.00 0.00 H new ATOM 0 HA MET A 78 3.085 -11.488 7.408 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.353 -11.085 8.658 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.641 -12.146 9.194 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.016 -9.957 9.538 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.470 -9.138 9.424 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.290 -9.332 12.310 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.471 -9.670 10.573 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.685 -10.978 11.760 1.00 0.00 H new ATOM 1197 N THR A 79 1.770 -13.226 6.187 1.00 0.00 N ATOM 1198 CA THR A 79 1.115 -14.174 5.295 1.00 0.00 C ATOM 1199 C THR A 79 0.543 -15.355 6.072 1.00 0.00 C ATOM 1200 O THR A 79 1.202 -15.912 6.948 1.00 0.00 O ATOM 1201 CB THR A 79 2.088 -14.703 4.224 1.00 0.00 C ATOM 1202 OG1 THR A 79 3.405 -14.822 4.775 1.00 0.00 O ATOM 1203 CG2 THR A 79 2.120 -13.777 3.018 1.00 0.00 C ATOM 0 H THR A 79 2.623 -13.577 6.622 1.00 0.00 H new ATOM 0 HA THR A 79 0.303 -13.637 4.805 1.00 0.00 H new ATOM 0 HB THR A 79 1.740 -15.684 3.900 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.017 -15.160 4.089 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.814 -14.171 2.275 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.122 -13.711 2.584 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.447 -12.785 3.330 1.00 0.00 H new ATOM 1211 N ALA A 80 -0.689 -15.731 5.744 1.00 0.00 N ATOM 1212 CA ALA A 80 -1.349 -16.847 6.409 1.00 0.00 C ATOM 1213 C ALA A 80 -2.420 -17.464 5.515 1.00 0.00 C ATOM 1214 O ALA A 80 -3.282 -16.760 4.989 1.00 0.00 O ATOM 1215 CB ALA A 80 -1.958 -16.391 7.727 1.00 0.00 C ATOM 0 H ALA A 80 -1.250 -15.279 5.022 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.599 -17.611 6.613 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.448 -17.235 8.213 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.172 -16.004 8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.691 -15.607 7.537 1.00 0.00 H new ATOM 1221 N GLU A 81 -2.358 -18.781 5.347 1.00 0.00 N ATOM 1222 CA GLU A 81 -3.322 -19.491 4.515 1.00 0.00 C ATOM 1223 C GLU A 81 -3.192 -19.072 3.053 1.00 0.00 C ATOM 1224 O GLU A 81 -4.144 -19.170 2.280 1.00 0.00 O ATOM 1225 CB GLU A 81 -4.746 -19.226 5.007 1.00 0.00 C ATOM 1226 CG GLU A 81 -4.873 -19.205 6.521 1.00 0.00 C ATOM 1227 CD GLU A 81 -4.659 -20.571 7.143 1.00 0.00 C ATOM 1228 OE1 GLU A 81 -3.587 -21.168 6.909 1.00 0.00 O ATOM 1229 OE2 GLU A 81 -5.562 -21.043 7.865 1.00 0.00 O ATOM 0 H GLU A 81 -1.651 -19.378 5.776 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.111 -20.558 4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.087 -18.270 4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.409 -19.993 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.147 -18.504 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.862 -18.836 6.794 1.00 0.00 H new ATOM 1236 N GLY A 82 -2.004 -18.603 2.681 1.00 0.00 N ATOM 1237 CA GLY A 82 -1.770 -18.175 1.315 1.00 0.00 C ATOM 1238 C GLY A 82 -2.272 -16.769 1.053 1.00 0.00 C ATOM 1239 O GLY A 82 -2.405 -16.353 -0.098 1.00 0.00 O ATOM 0 H GLY A 82 -1.200 -18.512 3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.702 -18.222 1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.263 -18.866 0.632 1.00 0.00 H new ATOM 1243 N LEU A 83 -2.553 -16.034 2.124 1.00 0.00 N ATOM 1244 CA LEU A 83 -3.045 -14.666 2.005 1.00 0.00 C ATOM 1245 C LEU A 83 -1.988 -13.666 2.461 1.00 0.00 C ATOM 1246 O LEU A 83 -0.983 -14.041 3.066 1.00 0.00 O ATOM 1247 CB LEU A 83 -4.321 -14.489 2.831 1.00 0.00 C ATOM 1248 CG LEU A 83 -5.413 -15.536 2.611 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.220 -15.741 3.884 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -6.322 -15.126 1.462 1.00 0.00 C ATOM 0 H LEU A 83 -2.449 -16.363 3.084 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.269 -14.476 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.050 -14.492 3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.738 -13.506 2.612 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.936 -16.481 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.993 -16.490 3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.560 -16.081 4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.686 -14.800 4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.093 -15.883 1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.791 -14.169 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.734 -15.031 0.549 1.00 0.00 H new ATOM 1262 N TYR A 84 -2.222 -12.391 2.169 1.00 0.00 N ATOM 1263 CA TYR A 84 -1.290 -11.336 2.549 1.00 0.00 C ATOM 1264 C TYR A 84 -2.007 -10.220 3.302 1.00 0.00 C ATOM 1265 O TYR A 84 -2.924 -9.590 2.774 1.00 0.00 O ATOM 1266 CB TYR A 84 -0.598 -10.768 1.309 1.00 0.00 C ATOM 1267 CG TYR A 84 0.238 -11.783 0.562 1.00 0.00 C ATOM 1268 CD1 TYR A 84 -0.350 -12.683 -0.318 1.00 0.00 C ATOM 1269 CD2 TYR A 84 1.614 -11.843 0.738 1.00 0.00 C ATOM 1270 CE1 TYR A 84 0.409 -13.613 -1.002 1.00 0.00 C ATOM 1271 CE2 TYR A 84 2.382 -12.768 0.057 1.00 0.00 C ATOM 1272 CZ TYR A 84 1.774 -13.651 -0.811 1.00 0.00 C ATOM 1273 OH TYR A 84 2.535 -14.575 -1.490 1.00 0.00 O ATOM 0 H TYR A 84 -3.049 -12.063 1.670 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.539 -11.770 3.209 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.354 -10.365 0.634 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.039 -9.935 1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.419 -12.655 -0.470 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.092 -11.155 1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.064 -14.306 -1.682 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.452 -12.799 0.203 1.00 0.00 H new ATOM 0 HH TYR A 84 3.477 -14.467 -1.243 1.00 0.00 H new ATOM 1283 N ARG A 85 -1.582 -9.981 4.538 1.00 0.00 N ATOM 1284 CA ARG A 85 -2.183 -8.942 5.365 1.00 0.00 C ATOM 1285 C ARG A 85 -1.264 -8.570 6.525 1.00 0.00 C ATOM 1286 O ARG A 85 -0.661 -9.440 7.155 1.00 0.00 O ATOM 1287 CB ARG A 85 -3.537 -9.408 5.903 1.00 0.00 C ATOM 1288 CG ARG A 85 -3.533 -10.844 6.401 1.00 0.00 C ATOM 1289 CD ARG A 85 -4.777 -11.152 7.220 1.00 0.00 C ATOM 1290 NE ARG A 85 -4.950 -12.587 7.433 1.00 0.00 N ATOM 1291 CZ ARG A 85 -6.067 -13.131 7.903 1.00 0.00 C ATOM 1292 NH1 ARG A 85 -7.105 -12.364 8.207 1.00 0.00 N ATOM 1293 NH2 ARG A 85 -6.148 -14.445 8.069 1.00 0.00 N ATOM 0 H ARG A 85 -0.824 -10.493 4.989 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.331 -8.059 4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.840 -8.751 6.718 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.285 -9.307 5.117 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.477 -11.525 5.552 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.644 -11.018 7.008 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.711 -10.648 8.184 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.654 -10.753 6.711 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.170 -13.205 7.208 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.047 -11.354 8.080 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.961 -12.784 8.568 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.352 -15.039 7.836 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -7.006 -14.861 8.430 1.00 0.00 H new ATOM 1307 N ILE A 86 -1.161 -7.274 6.800 1.00 0.00 N ATOM 1308 CA ILE A 86 -0.316 -6.788 7.883 1.00 0.00 C ATOM 1309 C ILE A 86 -0.981 -7.005 9.238 1.00 0.00 C ATOM 1310 O ILE A 86 -0.313 -7.038 10.273 1.00 0.00 O ATOM 1311 CB ILE A 86 0.008 -5.292 7.717 1.00 0.00 C ATOM 1312 CG1 ILE A 86 -1.170 -4.437 8.186 1.00 0.00 C ATOM 1313 CG2 ILE A 86 0.350 -4.982 6.267 1.00 0.00 C ATOM 1314 CD1 ILE A 86 -0.905 -2.949 8.111 1.00 0.00 C ATOM 0 H ILE A 86 -1.652 -6.542 6.287 1.00 0.00 H new ATOM 0 HA ILE A 86 0.612 -7.359 7.840 1.00 0.00 H new ATOM 0 HB ILE A 86 0.874 -5.053 8.334 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.044 -4.673 7.579 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.415 -4.703 9.214 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.577 -3.921 6.166 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.217 -5.569 5.964 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.499 -5.234 5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.783 -2.405 8.459 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.051 -2.699 8.740 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.690 -2.669 7.080 1.00 0.00 H new ATOM 1326 N THR A 87 -2.302 -7.154 9.226 1.00 0.00 N ATOM 1327 CA THR A 87 -3.058 -7.368 10.453 1.00 0.00 C ATOM 1328 C THR A 87 -4.049 -8.516 10.296 1.00 0.00 C ATOM 1329 O THR A 87 -4.573 -8.750 9.207 1.00 0.00 O ATOM 1330 CB THR A 87 -3.824 -6.098 10.870 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.628 -6.368 12.024 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.707 -5.602 9.736 1.00 0.00 C ATOM 0 H THR A 87 -2.870 -7.130 8.379 1.00 0.00 H new ATOM 0 HA THR A 87 -2.335 -7.619 11.229 1.00 0.00 H new ATOM 0 HB THR A 87 -3.096 -5.323 11.108 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.110 -5.556 12.284 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.238 -4.705 10.054 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.089 -5.370 8.869 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.428 -6.375 9.471 1.00 0.00 H new ATOM 1340 N GLU A 88 -4.301 -9.229 11.389 1.00 0.00 N ATOM 1341 CA GLU A 88 -5.229 -10.353 11.370 1.00 0.00 C ATOM 1342 C GLU A 88 -6.674 -9.867 11.441 1.00 0.00 C ATOM 1343 O GLU A 88 -7.493 -10.424 12.172 1.00 0.00 O ATOM 1344 CB GLU A 88 -4.940 -11.301 12.536 1.00 0.00 C ATOM 1345 CG GLU A 88 -5.189 -10.680 13.901 1.00 0.00 C ATOM 1346 CD GLU A 88 -4.077 -9.741 14.325 1.00 0.00 C ATOM 1347 OE1 GLU A 88 -3.031 -10.233 14.798 1.00 0.00 O ATOM 1348 OE2 GLU A 88 -4.253 -8.512 14.185 1.00 0.00 O ATOM 0 H GLU A 88 -3.876 -9.048 12.298 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.090 -10.890 10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.561 -12.191 12.432 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.902 -11.628 12.479 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.133 -10.135 13.881 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.294 -11.472 14.643 1.00 0.00 H new ATOM 1355 N LYS A 89 -6.979 -8.824 10.677 1.00 0.00 N ATOM 1356 CA LYS A 89 -8.324 -8.261 10.651 1.00 0.00 C ATOM 1357 C LYS A 89 -9.018 -8.573 9.329 1.00 0.00 C ATOM 1358 O LYS A 89 -10.209 -8.886 9.300 1.00 0.00 O ATOM 1359 CB LYS A 89 -8.270 -6.747 10.866 1.00 0.00 C ATOM 1360 CG LYS A 89 -8.078 -6.346 12.318 1.00 0.00 C ATOM 1361 CD LYS A 89 -9.410 -6.157 13.025 1.00 0.00 C ATOM 1362 CE LYS A 89 -9.940 -4.742 12.848 1.00 0.00 C ATOM 1363 NZ LYS A 89 -10.573 -4.550 11.514 1.00 0.00 N ATOM 0 H LYS A 89 -6.312 -8.351 10.067 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.897 -8.716 11.459 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.455 -6.333 10.273 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.193 -6.302 10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.497 -7.110 12.834 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.504 -5.421 12.368 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.135 -6.870 12.633 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.293 -6.373 14.087 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.668 -4.526 13.630 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.123 -4.030 12.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.315 -3.825 11.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.853 -4.244 10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.994 -5.447 11.197 1.00 0.00 H new ATOM 1377 N LYS A 90 -8.267 -8.488 8.237 1.00 0.00 N ATOM 1378 CA LYS A 90 -8.809 -8.763 6.912 1.00 0.00 C ATOM 1379 C LYS A 90 -7.703 -9.180 5.947 1.00 0.00 C ATOM 1380 O LYS A 90 -6.831 -8.381 5.606 1.00 0.00 O ATOM 1381 CB LYS A 90 -9.536 -7.531 6.369 1.00 0.00 C ATOM 1382 CG LYS A 90 -10.785 -7.863 5.571 1.00 0.00 C ATOM 1383 CD LYS A 90 -10.475 -8.029 4.093 1.00 0.00 C ATOM 1384 CE LYS A 90 -11.719 -7.841 3.238 1.00 0.00 C ATOM 1385 NZ LYS A 90 -12.438 -9.127 3.016 1.00 0.00 N ATOM 0 H LYS A 90 -7.280 -8.231 8.243 1.00 0.00 H new ATOM 0 HA LYS A 90 -9.519 -9.586 7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.809 -6.884 7.203 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.851 -6.965 5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.230 -8.781 5.956 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.523 -7.071 5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.715 -7.306 3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.058 -9.020 3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.388 -7.129 3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.438 -7.411 2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.280 -8.957 2.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.808 -9.798 2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.729 -9.525 3.932 1.00 0.00 H new ATOM 1399 N ALA A 91 -7.745 -10.434 5.511 1.00 0.00 N ATOM 1400 CA ALA A 91 -6.749 -10.955 4.584 1.00 0.00 C ATOM 1401 C ALA A 91 -7.236 -10.856 3.142 1.00 0.00 C ATOM 1402 O ALA A 91 -8.439 -10.830 2.883 1.00 0.00 O ATOM 1403 CB ALA A 91 -6.408 -12.397 4.930 1.00 0.00 C ATOM 0 H ALA A 91 -8.459 -11.109 5.785 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.849 -10.348 4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.663 -12.773 4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.009 -12.443 5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.308 -13.009 4.866 1.00 0.00 H new ATOM 1409 N PHE A 92 -6.294 -10.800 2.206 1.00 0.00 N ATOM 1410 CA PHE A 92 -6.628 -10.702 0.790 1.00 0.00 C ATOM 1411 C PHE A 92 -5.873 -11.752 -0.020 1.00 0.00 C ATOM 1412 O PHE A 92 -4.735 -12.097 0.298 1.00 0.00 O ATOM 1413 CB PHE A 92 -6.302 -9.303 0.263 1.00 0.00 C ATOM 1414 CG PHE A 92 -6.969 -8.201 1.036 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -6.619 -7.950 2.353 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -7.946 -7.416 0.445 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -7.232 -6.937 3.066 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -8.563 -6.402 1.153 1.00 0.00 C ATOM 1419 CZ PHE A 92 -8.204 -6.162 2.465 1.00 0.00 C ATOM 0 H PHE A 92 -5.293 -10.821 2.403 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.697 -10.883 0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.223 -9.155 0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.604 -9.237 -0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.859 -8.553 2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.229 -7.599 -0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.951 -6.752 4.092 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.324 -5.798 0.681 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.683 -5.369 3.020 1.00 0.00 H new ATOM 1429 N ARG A 93 -6.515 -12.255 -1.069 1.00 0.00 N ATOM 1430 CA ARG A 93 -5.906 -13.266 -1.925 1.00 0.00 C ATOM 1431 C ARG A 93 -4.438 -12.942 -2.190 1.00 0.00 C ATOM 1432 O ARG A 93 -3.575 -13.815 -2.108 1.00 0.00 O ATOM 1433 CB ARG A 93 -6.664 -13.368 -3.250 1.00 0.00 C ATOM 1434 CG ARG A 93 -8.144 -13.669 -3.083 1.00 0.00 C ATOM 1435 CD ARG A 93 -8.411 -15.166 -3.080 1.00 0.00 C ATOM 1436 NE ARG A 93 -9.831 -15.469 -2.922 1.00 0.00 N ATOM 1437 CZ ARG A 93 -10.340 -16.690 -3.041 1.00 0.00 C ATOM 1438 NH1 ARG A 93 -9.548 -17.717 -3.318 1.00 0.00 N ATOM 1439 NH2 ARG A 93 -11.643 -16.885 -2.884 1.00 0.00 N ATOM 0 H ARG A 93 -7.457 -11.979 -1.347 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.961 -14.224 -1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.552 -12.431 -3.796 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.210 -14.149 -3.860 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.502 -13.233 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.705 -13.200 -3.891 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.049 -15.600 -4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.849 -15.633 -2.271 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.467 -14.701 -2.708 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.546 -17.570 -3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.941 -18.654 -3.409 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -12.255 -16.097 -2.672 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.033 -17.823 -2.976 1.00 0.00 H new ATOM 1453 N GLY A 94 -4.164 -11.680 -2.507 1.00 0.00 N ATOM 1454 CA GLY A 94 -2.801 -11.264 -2.779 1.00 0.00 C ATOM 1455 C GLY A 94 -2.572 -9.796 -2.479 1.00 0.00 C ATOM 1456 O GLY A 94 -3.500 -9.080 -2.099 1.00 0.00 O ATOM 0 H GLY A 94 -4.861 -10.939 -2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.115 -11.865 -2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.567 -11.459 -3.826 1.00 0.00 H new ATOM 1460 N LEU A 95 -1.334 -9.345 -2.646 1.00 0.00 N ATOM 1461 CA LEU A 95 -0.985 -7.952 -2.389 1.00 0.00 C ATOM 1462 C LEU A 95 -1.943 -7.009 -3.110 1.00 0.00 C ATOM 1463 O LEU A 95 -2.685 -6.256 -2.477 1.00 0.00 O ATOM 1464 CB LEU A 95 0.452 -7.675 -2.833 1.00 0.00 C ATOM 1465 CG LEU A 95 1.542 -7.973 -1.803 1.00 0.00 C ATOM 1466 CD1 LEU A 95 1.687 -6.814 -0.828 1.00 0.00 C ATOM 1467 CD2 LEU A 95 1.233 -9.263 -1.057 1.00 0.00 C ATOM 0 H LEU A 95 -0.554 -9.924 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.068 -7.774 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.655 -8.264 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.527 -6.626 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 95 2.488 -8.099 -2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.467 -7.044 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.955 -5.910 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.743 -6.656 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.019 -9.459 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.277 -9.166 -0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.181 -10.090 -1.766 1.00 0.00 H new ATOM 1479 N THR A 96 -1.924 -7.056 -4.438 1.00 0.00 N ATOM 1480 CA THR A 96 -2.791 -6.206 -5.245 1.00 0.00 C ATOM 1481 C THR A 96 -4.118 -5.948 -4.541 1.00 0.00 C ATOM 1482 O THR A 96 -4.637 -4.833 -4.567 1.00 0.00 O ATOM 1483 CB THR A 96 -3.068 -6.836 -6.624 1.00 0.00 C ATOM 1484 OG1 THR A 96 -1.849 -7.326 -7.193 1.00 0.00 O ATOM 1485 CG2 THR A 96 -3.701 -5.822 -7.564 1.00 0.00 C ATOM 0 H THR A 96 -1.318 -7.674 -4.978 1.00 0.00 H new ATOM 0 HA THR A 96 -2.267 -5.260 -5.384 1.00 0.00 H new ATOM 0 HB THR A 96 -3.763 -7.665 -6.487 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.194 -6.599 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.887 -6.289 -8.531 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.643 -5.473 -7.142 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.026 -4.976 -7.694 1.00 0.00 H new ATOM 1493 N GLU A 97 -4.661 -6.985 -3.911 1.00 0.00 N ATOM 1494 CA GLU A 97 -5.928 -6.868 -3.200 1.00 0.00 C ATOM 1495 C GLU A 97 -5.736 -6.165 -1.859 1.00 0.00 C ATOM 1496 O GLU A 97 -6.341 -5.124 -1.599 1.00 0.00 O ATOM 1497 CB GLU A 97 -6.544 -8.252 -2.980 1.00 0.00 C ATOM 1498 CG GLU A 97 -7.071 -8.893 -4.252 1.00 0.00 C ATOM 1499 CD GLU A 97 -8.388 -8.295 -4.705 1.00 0.00 C ATOM 1500 OE1 GLU A 97 -9.409 -8.523 -4.022 1.00 0.00 O ATOM 1501 OE2 GLU A 97 -8.399 -7.599 -5.742 1.00 0.00 O ATOM 0 H GLU A 97 -4.243 -7.915 -3.879 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.605 -6.270 -3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.795 -8.908 -2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.359 -8.167 -2.261 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.332 -8.778 -5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.199 -9.963 -4.089 1.00 0.00 H new ATOM 1508 N LEU A 98 -4.892 -6.742 -1.011 1.00 0.00 N ATOM 1509 CA LEU A 98 -4.620 -6.172 0.304 1.00 0.00 C ATOM 1510 C LEU A 98 -4.342 -4.676 0.202 1.00 0.00 C ATOM 1511 O LEU A 98 -4.718 -3.902 1.083 1.00 0.00 O ATOM 1512 CB LEU A 98 -3.429 -6.881 0.952 1.00 0.00 C ATOM 1513 CG LEU A 98 -2.918 -6.275 2.260 1.00 0.00 C ATOM 1514 CD1 LEU A 98 -2.055 -5.054 1.981 1.00 0.00 C ATOM 1515 CD2 LEU A 98 -4.082 -5.910 3.170 1.00 0.00 C ATOM 0 H LEU A 98 -4.384 -7.604 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.504 -6.317 0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.707 -7.918 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.607 -6.896 0.236 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.305 -7.020 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.700 -4.636 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.201 -5.344 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.644 -4.306 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.699 -5.480 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.721 -5.183 2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.661 -6.805 3.398 1.00 0.00 H new ATOM 1527 N VAL A 99 -3.683 -4.274 -0.880 1.00 0.00 N ATOM 1528 CA VAL A 99 -3.357 -2.870 -1.099 1.00 0.00 C ATOM 1529 C VAL A 99 -4.583 -2.086 -1.555 1.00 0.00 C ATOM 1530 O VAL A 99 -4.784 -0.941 -1.154 1.00 0.00 O ATOM 1531 CB VAL A 99 -2.240 -2.709 -2.147 1.00 0.00 C ATOM 1532 CG1 VAL A 99 -1.885 -1.241 -2.329 1.00 0.00 C ATOM 1533 CG2 VAL A 99 -1.014 -3.516 -1.746 1.00 0.00 C ATOM 0 H VAL A 99 -3.364 -4.901 -1.619 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.009 -2.474 -0.145 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.603 -3.091 -3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.094 -1.147 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.765 -0.693 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.541 -0.830 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.234 -3.391 -2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.647 -3.166 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.281 -4.570 -1.672 1.00 0.00 H new ATOM 1543 N GLU A 100 -5.399 -2.713 -2.397 1.00 0.00 N ATOM 1544 CA GLU A 100 -6.606 -2.073 -2.908 1.00 0.00 C ATOM 1545 C GLU A 100 -7.469 -1.547 -1.765 1.00 0.00 C ATOM 1546 O GLU A 100 -8.075 -0.481 -1.870 1.00 0.00 O ATOM 1547 CB GLU A 100 -7.411 -3.058 -3.758 1.00 0.00 C ATOM 1548 CG GLU A 100 -7.071 -3.005 -5.238 1.00 0.00 C ATOM 1549 CD GLU A 100 -8.260 -3.329 -6.122 1.00 0.00 C ATOM 1550 OE1 GLU A 100 -8.497 -4.528 -6.379 1.00 0.00 O ATOM 1551 OE2 GLU A 100 -8.952 -2.386 -6.557 1.00 0.00 O ATOM 0 H GLU A 100 -5.247 -3.662 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.304 -1.230 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.237 -4.069 -3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.474 -2.851 -3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.699 -2.011 -5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.265 -3.708 -5.447 1.00 0.00 H new ATOM 1558 N PHE A 101 -7.520 -2.303 -0.673 1.00 0.00 N ATOM 1559 CA PHE A 101 -8.309 -1.915 0.490 1.00 0.00 C ATOM 1560 C PHE A 101 -7.721 -0.675 1.157 1.00 0.00 C ATOM 1561 O PHE A 101 -8.390 0.351 1.284 1.00 0.00 O ATOM 1562 CB PHE A 101 -8.375 -3.067 1.495 1.00 0.00 C ATOM 1563 CG PHE A 101 -9.469 -2.912 2.512 1.00 0.00 C ATOM 1564 CD1 PHE A 101 -10.777 -3.246 2.199 1.00 0.00 C ATOM 1565 CD2 PHE A 101 -9.190 -2.433 3.782 1.00 0.00 C ATOM 1566 CE1 PHE A 101 -11.786 -3.106 3.132 1.00 0.00 C ATOM 1567 CE2 PHE A 101 -10.196 -2.291 4.720 1.00 0.00 C ATOM 1568 CZ PHE A 101 -11.495 -2.626 4.394 1.00 0.00 C ATOM 0 H PHE A 101 -7.024 -3.188 -0.569 1.00 0.00 H new ATOM 0 HA PHE A 101 -9.318 -1.679 0.152 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.522 -4.002 0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.418 -3.144 2.011 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -11.010 -3.620 1.213 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.176 -2.168 4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.801 -3.371 2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -9.966 -1.918 5.707 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.282 -2.513 5.125 1.00 0.00 H new ATOM 1578 N TYR A 102 -6.467 -0.778 1.582 1.00 0.00 N ATOM 1579 CA TYR A 102 -5.789 0.333 2.239 1.00 0.00 C ATOM 1580 C TYR A 102 -5.812 1.581 1.362 1.00 0.00 C ATOM 1581 O TYR A 102 -5.631 2.697 1.847 1.00 0.00 O ATOM 1582 CB TYR A 102 -4.345 -0.046 2.568 1.00 0.00 C ATOM 1583 CG TYR A 102 -4.226 -1.105 3.641 1.00 0.00 C ATOM 1584 CD1 TYR A 102 -5.024 -1.064 4.777 1.00 0.00 C ATOM 1585 CD2 TYR A 102 -3.316 -2.148 3.518 1.00 0.00 C ATOM 1586 CE1 TYR A 102 -4.918 -2.029 5.760 1.00 0.00 C ATOM 1587 CE2 TYR A 102 -3.204 -3.118 4.495 1.00 0.00 C ATOM 1588 CZ TYR A 102 -4.007 -3.054 5.614 1.00 0.00 C ATOM 1589 OH TYR A 102 -3.900 -4.018 6.590 1.00 0.00 O ATOM 0 H TYR A 102 -5.899 -1.620 1.483 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.320 0.552 3.165 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.856 -0.403 1.661 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.808 0.847 2.889 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.740 -0.264 4.894 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.685 -2.201 2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.545 -1.981 6.638 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.492 -3.922 4.383 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.825 -3.588 7.467 1.00 0.00 H new ATOM 1599 N GLN A 103 -6.037 1.382 0.067 1.00 0.00 N ATOM 1600 CA GLN A 103 -6.084 2.490 -0.879 1.00 0.00 C ATOM 1601 C GLN A 103 -7.335 3.336 -0.665 1.00 0.00 C ATOM 1602 O GLN A 103 -7.427 4.459 -1.160 1.00 0.00 O ATOM 1603 CB GLN A 103 -6.048 1.965 -2.315 1.00 0.00 C ATOM 1604 CG GLN A 103 -4.641 1.764 -2.855 1.00 0.00 C ATOM 1605 CD GLN A 103 -4.630 1.250 -4.281 1.00 0.00 C ATOM 1606 OE1 GLN A 103 -5.548 0.549 -4.707 1.00 0.00 O ATOM 1607 NE2 GLN A 103 -3.589 1.597 -5.028 1.00 0.00 N ATOM 0 H GLN A 103 -6.190 0.464 -0.351 1.00 0.00 H new ATOM 0 HA GLN A 103 -5.210 3.118 -0.708 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.584 1.017 -2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.580 2.663 -2.962 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.100 2.709 -2.810 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.108 1.061 -2.215 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.850 2.180 -4.634 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.528 1.281 -5.996 1.00 0.00 H new ATOM 1616 N GLN A 104 -8.295 2.788 0.073 1.00 0.00 N ATOM 1617 CA GLN A 104 -9.541 3.492 0.350 1.00 0.00 C ATOM 1618 C GLN A 104 -9.695 3.759 1.844 1.00 0.00 C ATOM 1619 O GLN A 104 -10.563 4.524 2.261 1.00 0.00 O ATOM 1620 CB GLN A 104 -10.734 2.682 -0.160 1.00 0.00 C ATOM 1621 CG GLN A 104 -10.464 1.188 -0.242 1.00 0.00 C ATOM 1622 CD GLN A 104 -11.462 0.463 -1.124 1.00 0.00 C ATOM 1623 OE1 GLN A 104 -11.467 0.632 -2.344 1.00 0.00 O ATOM 1624 NE2 GLN A 104 -12.312 -0.351 -0.511 1.00 0.00 N ATOM 0 H GLN A 104 -8.234 1.859 0.490 1.00 0.00 H new ATOM 0 HA GLN A 104 -9.511 4.449 -0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -11.587 2.853 0.497 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -11.015 3.047 -1.148 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -9.458 1.025 -0.628 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -10.494 0.762 0.761 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -12.272 -0.461 0.502 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -13.005 -0.867 -1.053 1.00 0.00 H new ATOM 1633 N ASN A 105 -8.845 3.123 2.644 1.00 0.00 N ATOM 1634 CA ASN A 105 -8.888 3.291 4.092 1.00 0.00 C ATOM 1635 C ASN A 105 -7.490 3.534 4.653 1.00 0.00 C ATOM 1636 O ASN A 105 -6.524 2.890 4.241 1.00 0.00 O ATOM 1637 CB ASN A 105 -9.507 2.057 4.752 1.00 0.00 C ATOM 1638 CG ASN A 105 -9.300 0.798 3.933 1.00 0.00 C ATOM 1639 OD1 ASN A 105 -8.400 0.004 4.210 1.00 0.00 O ATOM 1640 ND2 ASN A 105 -10.134 0.610 2.916 1.00 0.00 N ATOM 0 H ASN A 105 -8.119 2.487 2.314 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.506 4.161 4.313 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.070 1.920 5.741 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -10.575 2.222 4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -10.043 -0.219 2.328 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -10.865 1.294 2.723 1.00 0.00 H new ATOM 1647 N SER A 106 -7.389 4.466 5.595 1.00 0.00 N ATOM 1648 CA SER A 106 -6.109 4.797 6.210 1.00 0.00 C ATOM 1649 C SER A 106 -5.565 3.612 7.002 1.00 0.00 C ATOM 1650 O SER A 106 -6.309 2.924 7.702 1.00 0.00 O ATOM 1651 CB SER A 106 -6.258 6.012 7.126 1.00 0.00 C ATOM 1652 OG SER A 106 -6.421 7.202 6.374 1.00 0.00 O ATOM 0 H SER A 106 -8.179 5.006 5.949 1.00 0.00 H new ATOM 0 HA SER A 106 -5.403 5.036 5.415 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.117 5.873 7.783 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.379 6.099 7.765 1.00 0.00 H new ATOM 0 HG SER A 106 -6.516 7.964 6.983 1.00 0.00 H new ATOM 1658 N LEU A 107 -4.263 3.379 6.886 1.00 0.00 N ATOM 1659 CA LEU A 107 -3.617 2.277 7.591 1.00 0.00 C ATOM 1660 C LEU A 107 -3.676 2.487 9.101 1.00 0.00 C ATOM 1661 O LEU A 107 -3.268 1.622 9.876 1.00 0.00 O ATOM 1662 CB LEU A 107 -2.161 2.141 7.140 1.00 0.00 C ATOM 1663 CG LEU A 107 -1.941 1.517 5.762 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -2.275 2.517 4.665 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -0.508 1.026 5.621 1.00 0.00 C ATOM 0 H LEU A 107 -3.633 3.938 6.311 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.153 1.359 7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.706 3.131 7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.628 1.541 7.878 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.608 0.661 5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.113 2.056 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.318 2.820 4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.634 3.393 4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -0.370 0.585 4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.178 1.865 5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.303 0.276 6.385 1.00 0.00 H new ATOM 1677 N LYS A 108 -4.187 3.643 9.512 1.00 0.00 N ATOM 1678 CA LYS A 108 -4.304 3.967 10.929 1.00 0.00 C ATOM 1679 C LYS A 108 -4.774 2.755 11.728 1.00 0.00 C ATOM 1680 O LYS A 108 -4.225 2.445 12.785 1.00 0.00 O ATOM 1681 CB LYS A 108 -5.277 5.131 11.129 1.00 0.00 C ATOM 1682 CG LYS A 108 -6.702 4.811 10.712 1.00 0.00 C ATOM 1683 CD LYS A 108 -7.643 5.967 11.011 1.00 0.00 C ATOM 1684 CE LYS A 108 -8.923 5.868 10.196 1.00 0.00 C ATOM 1685 NZ LYS A 108 -10.031 6.655 10.805 1.00 0.00 N ATOM 0 H LYS A 108 -4.527 4.371 8.884 1.00 0.00 H new ATOM 0 HA LYS A 108 -3.318 4.259 11.291 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.271 5.422 12.179 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.925 5.990 10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.728 4.586 9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -7.043 3.918 11.235 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.886 5.974 12.073 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -7.143 6.911 10.792 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.737 6.226 9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.222 4.823 10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.886 6.562 10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.226 6.297 11.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.756 7.657 10.859 1.00 0.00 H new ATOM 1699 N ASP A 109 -5.793 2.074 11.215 1.00 0.00 N ATOM 1700 CA ASP A 109 -6.335 0.894 11.879 1.00 0.00 C ATOM 1701 C ASP A 109 -5.215 0.011 12.419 1.00 0.00 C ATOM 1702 O ASP A 109 -5.252 -0.421 13.572 1.00 0.00 O ATOM 1703 CB ASP A 109 -7.210 0.095 10.912 1.00 0.00 C ATOM 1704 CG ASP A 109 -8.376 0.906 10.380 1.00 0.00 C ATOM 1705 OD1 ASP A 109 -9.360 1.088 11.126 1.00 0.00 O ATOM 1706 OD2 ASP A 109 -8.303 1.359 9.218 1.00 0.00 O ATOM 0 H ASP A 109 -6.260 2.319 10.342 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.946 1.228 12.718 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -6.601 -0.251 10.077 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -7.590 -0.792 11.419 1.00 0.00 H new ATOM 1711 N CYS A 110 -4.221 -0.254 11.579 1.00 0.00 N ATOM 1712 CA CYS A 110 -3.090 -1.088 11.971 1.00 0.00 C ATOM 1713 C CYS A 110 -2.045 -0.269 12.722 1.00 0.00 C ATOM 1714 O CYS A 110 -1.384 -0.771 13.631 1.00 0.00 O ATOM 1715 CB CYS A 110 -2.457 -1.737 10.740 1.00 0.00 C ATOM 1716 SG CYS A 110 -3.654 -2.355 9.533 1.00 0.00 S ATOM 0 H CYS A 110 -4.175 0.096 10.622 1.00 0.00 H new ATOM 0 HA CYS A 110 -3.460 -1.869 12.635 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -1.808 -1.010 10.252 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.824 -2.563 11.063 1.00 0.00 H new ATOM 0 HG CYS A 110 -3.772 -1.499 8.562 1.00 0.00 H new ATOM 1722 N PHE A 111 -1.901 0.994 12.335 1.00 0.00 N ATOM 1723 CA PHE A 111 -0.935 1.883 12.971 1.00 0.00 C ATOM 1724 C PHE A 111 -1.558 3.245 13.261 1.00 0.00 C ATOM 1725 O PHE A 111 -1.392 4.193 12.493 1.00 0.00 O ATOM 1726 CB PHE A 111 0.297 2.053 12.079 1.00 0.00 C ATOM 1727 CG PHE A 111 0.950 0.753 11.706 1.00 0.00 C ATOM 1728 CD1 PHE A 111 1.722 0.061 12.626 1.00 0.00 C ATOM 1729 CD2 PHE A 111 0.793 0.222 10.436 1.00 0.00 C ATOM 1730 CE1 PHE A 111 2.325 -1.134 12.285 1.00 0.00 C ATOM 1731 CE2 PHE A 111 1.393 -0.974 10.089 1.00 0.00 C ATOM 1732 CZ PHE A 111 2.160 -1.653 11.015 1.00 0.00 C ATOM 0 H PHE A 111 -2.441 1.425 11.584 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.632 1.433 13.916 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.007 2.579 11.169 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.024 2.681 12.593 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.854 0.461 13.621 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.194 0.749 9.708 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.925 -1.663 13.011 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.262 -1.377 9.095 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.630 -2.588 10.747 1.00 0.00 H new ATOM 1742 N LYS A 112 -2.276 3.335 14.375 1.00 0.00 N ATOM 1743 CA LYS A 112 -2.924 4.580 14.770 1.00 0.00 C ATOM 1744 C LYS A 112 -1.993 5.770 14.558 1.00 0.00 C ATOM 1745 O LYS A 112 -2.438 6.864 14.212 1.00 0.00 O ATOM 1746 CB LYS A 112 -3.355 4.512 16.237 1.00 0.00 C ATOM 1747 CG LYS A 112 -4.199 5.695 16.679 1.00 0.00 C ATOM 1748 CD LYS A 112 -5.611 5.611 16.122 1.00 0.00 C ATOM 1749 CE LYS A 112 -6.354 6.927 16.289 1.00 0.00 C ATOM 1750 NZ LYS A 112 -7.668 6.914 15.588 1.00 0.00 N ATOM 0 H LYS A 112 -2.424 2.560 15.021 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.806 4.715 14.144 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.919 3.593 16.399 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.466 4.455 16.866 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.238 5.729 17.768 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -3.730 6.622 16.347 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.572 5.346 15.066 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.157 4.816 16.630 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.510 7.124 17.350 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -5.743 7.741 15.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.144 7.828 15.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.518 6.751 14.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.261 6.153 15.977 1.00 0.00 H new ATOM 1764 N SER A 113 -0.699 5.547 14.764 1.00 0.00 N ATOM 1765 CA SER A 113 0.294 6.601 14.597 1.00 0.00 C ATOM 1766 C SER A 113 0.445 6.977 13.126 1.00 0.00 C ATOM 1767 O SER A 113 0.649 8.144 12.789 1.00 0.00 O ATOM 1768 CB SER A 113 1.643 6.154 15.163 1.00 0.00 C ATOM 1769 OG SER A 113 2.601 7.196 15.082 1.00 0.00 O ATOM 0 H SER A 113 -0.314 4.646 15.047 1.00 0.00 H new ATOM 0 HA SER A 113 -0.048 7.479 15.145 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.521 5.848 16.202 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.001 5.283 14.614 1.00 0.00 H new ATOM 0 HG SER A 113 3.454 6.886 15.451 1.00 0.00 H new ATOM 1775 N LEU A 114 0.344 5.980 12.254 1.00 0.00 N ATOM 1776 CA LEU A 114 0.469 6.204 10.818 1.00 0.00 C ATOM 1777 C LEU A 114 -0.901 6.220 10.148 1.00 0.00 C ATOM 1778 O LEU A 114 -1.454 5.171 9.819 1.00 0.00 O ATOM 1779 CB LEU A 114 1.345 5.120 10.188 1.00 0.00 C ATOM 1780 CG LEU A 114 1.550 5.218 8.676 1.00 0.00 C ATOM 1781 CD1 LEU A 114 2.033 6.608 8.292 1.00 0.00 C ATOM 1782 CD2 LEU A 114 2.535 4.159 8.201 1.00 0.00 C ATOM 0 H LEU A 114 0.176 5.009 12.516 1.00 0.00 H new ATOM 0 HA LEU A 114 0.938 7.176 10.666 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.323 5.146 10.669 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.904 4.149 10.413 1.00 0.00 H new ATOM 0 HG LEU A 114 0.592 5.040 8.187 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.173 6.659 7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.293 7.348 8.597 1.00 0.00 H new ATOM 0 HD13 LEU A 114 2.980 6.815 8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.669 4.244 7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.494 4.305 8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.149 3.169 8.442 1.00 0.00 H new ATOM 1794 N ASP A 115 -1.441 7.417 9.948 1.00 0.00 N ATOM 1795 CA ASP A 115 -2.746 7.571 9.314 1.00 0.00 C ATOM 1796 C ASP A 115 -2.595 7.998 7.857 1.00 0.00 C ATOM 1797 O ASP A 115 -2.835 9.154 7.509 1.00 0.00 O ATOM 1798 CB ASP A 115 -3.589 8.596 10.074 1.00 0.00 C ATOM 1799 CG ASP A 115 -3.939 8.133 11.475 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -3.259 7.218 11.985 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -4.892 8.686 12.061 1.00 0.00 O ATOM 0 H ASP A 115 -0.996 8.295 10.215 1.00 0.00 H new ATOM 0 HA ASP A 115 -3.251 6.606 9.341 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.045 9.539 10.131 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.507 8.791 9.519 1.00 0.00 H new ATOM 1806 N THR A 116 -2.194 7.056 7.008 1.00 0.00 N ATOM 1807 CA THR A 116 -2.008 7.335 5.590 1.00 0.00 C ATOM 1808 C THR A 116 -2.659 6.259 4.728 1.00 0.00 C ATOM 1809 O THR A 116 -3.251 5.310 5.243 1.00 0.00 O ATOM 1810 CB THR A 116 -0.515 7.433 5.227 1.00 0.00 C ATOM 1811 OG1 THR A 116 -0.365 7.956 3.903 1.00 0.00 O ATOM 1812 CG2 THR A 116 0.155 6.070 5.318 1.00 0.00 C ATOM 0 H THR A 116 -1.992 6.094 7.279 1.00 0.00 H new ATOM 0 HA THR A 116 -2.486 8.294 5.392 1.00 0.00 H new ATOM 0 HB THR A 116 -0.035 8.105 5.939 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.280 8.931 3.944 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.209 6.165 5.057 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.066 5.688 6.335 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.329 5.380 4.627 1.00 0.00 H new ATOM 1820 N THR A 117 -2.546 6.412 3.412 1.00 0.00 N ATOM 1821 CA THR A 117 -3.124 5.454 2.479 1.00 0.00 C ATOM 1822 C THR A 117 -2.233 5.272 1.256 1.00 0.00 C ATOM 1823 O THR A 117 -1.378 6.111 0.967 1.00 0.00 O ATOM 1824 CB THR A 117 -4.526 5.894 2.018 1.00 0.00 C ATOM 1825 OG1 THR A 117 -4.509 7.278 1.650 1.00 0.00 O ATOM 1826 CG2 THR A 117 -5.553 5.669 3.117 1.00 0.00 C ATOM 0 H THR A 117 -2.059 7.191 2.969 1.00 0.00 H new ATOM 0 HA THR A 117 -3.206 4.506 3.010 1.00 0.00 H new ATOM 0 HB THR A 117 -4.805 5.292 1.153 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.404 7.549 1.356 1.00 0.00 H new ATOM 0 HG21 THR A 117 -6.535 5.987 2.768 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.585 4.610 3.374 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.276 6.248 3.998 1.00 0.00 H new ATOM 1834 N LEU A 118 -2.438 4.172 0.539 1.00 0.00 N ATOM 1835 CA LEU A 118 -1.653 3.881 -0.655 1.00 0.00 C ATOM 1836 C LEU A 118 -2.016 4.831 -1.792 1.00 0.00 C ATOM 1837 O LEU A 118 -2.941 4.570 -2.560 1.00 0.00 O ATOM 1838 CB LEU A 118 -1.876 2.433 -1.096 1.00 0.00 C ATOM 1839 CG LEU A 118 -1.466 1.355 -0.091 1.00 0.00 C ATOM 1840 CD1 LEU A 118 0.013 1.473 0.244 1.00 0.00 C ATOM 1841 CD2 LEU A 118 -2.310 1.453 1.171 1.00 0.00 C ATOM 0 H LEU A 118 -3.141 3.468 0.764 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.600 4.023 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.933 2.303 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.325 2.267 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.638 0.379 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.287 0.698 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.603 1.352 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.211 2.454 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -2.004 0.678 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -2.170 2.433 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.361 1.318 0.917 1.00 0.00 H new ATOM 1853 N GLN A 119 -1.280 5.933 -1.892 1.00 0.00 N ATOM 1854 CA GLN A 119 -1.524 6.922 -2.936 1.00 0.00 C ATOM 1855 C GLN A 119 -1.105 6.386 -4.302 1.00 0.00 C ATOM 1856 O GLN A 119 -1.948 6.031 -5.126 1.00 0.00 O ATOM 1857 CB GLN A 119 -0.769 8.216 -2.629 1.00 0.00 C ATOM 1858 CG GLN A 119 -0.941 8.696 -1.197 1.00 0.00 C ATOM 1859 CD GLN A 119 -0.922 10.207 -1.082 1.00 0.00 C ATOM 1860 OE1 GLN A 119 -0.566 10.909 -2.029 1.00 0.00 O ATOM 1861 NE2 GLN A 119 -1.305 10.717 0.083 1.00 0.00 N ATOM 0 H GLN A 119 -0.510 6.164 -1.264 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.593 7.131 -2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 119 0.292 8.064 -2.827 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.111 8.996 -3.309 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.883 8.317 -0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -0.146 8.278 -0.580 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -1.592 10.098 0.841 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -1.312 11.728 0.220 1.00 0.00 H new ATOM 1870 N PHE A 120 0.202 6.332 -4.535 1.00 0.00 N ATOM 1871 CA PHE A 120 0.733 5.841 -5.801 1.00 0.00 C ATOM 1872 C PHE A 120 2.003 5.026 -5.579 1.00 0.00 C ATOM 1873 O PHE A 120 2.729 5.215 -4.603 1.00 0.00 O ATOM 1874 CB PHE A 120 1.022 7.010 -6.745 1.00 0.00 C ATOM 1875 CG PHE A 120 0.140 8.203 -6.509 1.00 0.00 C ATOM 1876 CD1 PHE A 120 -1.185 8.193 -6.913 1.00 0.00 C ATOM 1877 CD2 PHE A 120 0.637 9.335 -5.883 1.00 0.00 C ATOM 1878 CE1 PHE A 120 -1.999 9.289 -6.697 1.00 0.00 C ATOM 1879 CE2 PHE A 120 -0.173 10.434 -5.663 1.00 0.00 C ATOM 1880 CZ PHE A 120 -1.492 10.411 -6.072 1.00 0.00 C ATOM 0 H PHE A 120 0.913 6.622 -3.864 1.00 0.00 H new ATOM 0 HA PHE A 120 -0.018 5.194 -6.254 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.064 7.310 -6.631 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.898 6.674 -7.775 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.587 7.318 -7.403 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.668 9.359 -5.563 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.030 9.268 -7.017 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.225 11.309 -5.172 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.126 11.269 -5.903 1.00 0.00 H new ATOM 1890 N PRO A 121 2.279 4.096 -6.506 1.00 0.00 N ATOM 1891 CA PRO A 121 3.461 3.233 -6.434 1.00 0.00 C ATOM 1892 C PRO A 121 4.755 4.001 -6.679 1.00 0.00 C ATOM 1893 O PRO A 121 4.742 5.099 -7.237 1.00 0.00 O ATOM 1894 CB PRO A 121 3.225 2.214 -7.551 1.00 0.00 C ATOM 1895 CG PRO A 121 2.332 2.912 -8.518 1.00 0.00 C ATOM 1896 CD PRO A 121 1.457 3.816 -7.695 1.00 0.00 C ATOM 0 HA PRO A 121 3.579 2.785 -5.447 1.00 0.00 H new ATOM 0 HB2 PRO A 121 4.163 1.918 -8.021 1.00 0.00 H new ATOM 0 HB3 PRO A 121 2.760 1.306 -7.167 1.00 0.00 H new ATOM 0 HG2 PRO A 121 2.912 3.484 -9.242 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.733 2.197 -9.082 1.00 0.00 H new ATOM 0 HD2 PRO A 121 1.204 4.730 -8.233 1.00 0.00 H new ATOM 0 HD3 PRO A 121 0.517 3.332 -7.429 1.00 0.00 H new ATOM 1904 N PHE A 122 5.873 3.418 -6.258 1.00 0.00 N ATOM 1905 CA PHE A 122 7.177 4.048 -6.432 1.00 0.00 C ATOM 1906 C PHE A 122 7.631 3.967 -7.886 1.00 0.00 C ATOM 1907 O PHE A 122 8.269 4.885 -8.402 1.00 0.00 O ATOM 1908 CB PHE A 122 8.213 3.384 -5.524 1.00 0.00 C ATOM 1909 CG PHE A 122 8.817 2.141 -6.113 1.00 0.00 C ATOM 1910 CD1 PHE A 122 8.161 0.925 -6.020 1.00 0.00 C ATOM 1911 CD2 PHE A 122 10.041 2.190 -6.759 1.00 0.00 C ATOM 1912 CE1 PHE A 122 8.715 -0.220 -6.560 1.00 0.00 C ATOM 1913 CE2 PHE A 122 10.601 1.048 -7.302 1.00 0.00 C ATOM 1914 CZ PHE A 122 9.936 -0.158 -7.203 1.00 0.00 C ATOM 0 H PHE A 122 5.902 2.510 -5.794 1.00 0.00 H new ATOM 0 HA PHE A 122 7.084 5.099 -6.157 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.008 4.098 -5.310 1.00 0.00 H new ATOM 0 HB3 PHE A 122 7.744 3.135 -4.572 1.00 0.00 H new ATOM 0 HD1 PHE A 122 7.205 0.871 -5.520 1.00 0.00 H new ATOM 0 HD2 PHE A 122 10.564 3.131 -6.840 1.00 0.00 H new ATOM 0 HE1 PHE A 122 8.194 -1.162 -6.479 1.00 0.00 H new ATOM 0 HE2 PHE A 122 11.557 1.099 -7.803 1.00 0.00 H new ATOM 0 HZ PHE A 122 10.370 -1.051 -7.628 1.00 0.00 H new ATOM 1924 N LYS A 123 7.299 2.860 -8.542 1.00 0.00 N ATOM 1925 CA LYS A 123 7.671 2.656 -9.937 1.00 0.00 C ATOM 1926 C LYS A 123 6.893 3.598 -10.851 1.00 0.00 C ATOM 1927 O LYS A 123 7.345 3.925 -11.948 1.00 0.00 O ATOM 1928 CB LYS A 123 7.415 1.204 -10.348 1.00 0.00 C ATOM 1929 CG LYS A 123 8.490 0.241 -9.876 1.00 0.00 C ATOM 1930 CD LYS A 123 8.533 -1.011 -10.736 1.00 0.00 C ATOM 1931 CE LYS A 123 9.245 -2.152 -10.025 1.00 0.00 C ATOM 1932 NZ LYS A 123 10.713 -2.134 -10.279 1.00 0.00 N ATOM 0 H LYS A 123 6.773 2.090 -8.129 1.00 0.00 H new ATOM 0 HA LYS A 123 8.734 2.874 -10.039 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.452 0.886 -9.947 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.342 1.150 -11.434 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.461 0.736 -9.903 1.00 0.00 H new ATOM 0 HG3 LYS A 123 8.302 -0.035 -8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.517 -1.316 -10.988 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.042 -0.792 -11.674 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.061 -2.083 -8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.830 -3.103 -10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 11.162 -2.927 -9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 10.890 -2.225 -11.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 11.113 -1.237 -9.937 1.00 0.00 H new ATOM 1946 N GLU A 124 5.724 4.032 -10.390 1.00 0.00 N ATOM 1947 CA GLU A 124 4.886 4.937 -11.167 1.00 0.00 C ATOM 1948 C GLU A 124 5.739 5.877 -12.014 1.00 0.00 C ATOM 1949 O GLU A 124 6.703 6.478 -11.539 1.00 0.00 O ATOM 1950 CB GLU A 124 3.979 5.750 -10.241 1.00 0.00 C ATOM 1951 CG GLU A 124 2.586 5.980 -10.801 1.00 0.00 C ATOM 1952 CD GLU A 124 2.491 7.251 -11.623 1.00 0.00 C ATOM 1953 OE1 GLU A 124 3.119 8.258 -11.235 1.00 0.00 O ATOM 1954 OE2 GLU A 124 1.788 7.238 -12.655 1.00 0.00 O ATOM 0 H GLU A 124 5.336 3.772 -9.483 1.00 0.00 H new ATOM 0 HA GLU A 124 4.268 4.335 -11.833 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.896 5.235 -9.284 1.00 0.00 H new ATOM 0 HB3 GLU A 124 4.446 6.715 -10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.302 5.129 -11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.871 6.029 -9.979 1.00 0.00 H new ATOM 1961 N PRO A 125 5.378 6.006 -13.299 1.00 0.00 N ATOM 1962 CA PRO A 125 6.097 6.871 -14.240 1.00 0.00 C ATOM 1963 C PRO A 125 5.900 8.351 -13.934 1.00 0.00 C ATOM 1964 O PRO A 125 4.875 8.748 -13.379 1.00 0.00 O ATOM 1965 CB PRO A 125 5.474 6.517 -15.593 1.00 0.00 C ATOM 1966 CG PRO A 125 4.113 6.010 -15.263 1.00 0.00 C ATOM 1967 CD PRO A 125 4.240 5.319 -13.933 1.00 0.00 C ATOM 0 HA PRO A 125 7.175 6.713 -14.197 1.00 0.00 H new ATOM 0 HB2 PRO A 125 5.424 7.388 -16.246 1.00 0.00 H new ATOM 0 HB3 PRO A 125 6.062 5.762 -16.114 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.394 6.828 -15.211 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.757 5.321 -16.029 1.00 0.00 H new ATOM 0 HD2 PRO A 125 3.330 5.417 -13.341 1.00 0.00 H new ATOM 0 HD3 PRO A 125 4.430 4.252 -14.051 1.00 0.00 H new