USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=24 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 87 THR OG1 : rot 150:sc= -0.0199 USER MOD Set 1.2: A 89 LYS NZ :NH3+ -125:sc= 0.183 (180deg=-2.17) USER MOD Set 2.1: A 65 SER OG : rot 123:sc= -0.632 USER MOD Set 2.2: A 74 HIS : no HD1:sc= 1.19 K(o=0.56,f=-5.9!) USER MOD Set 3.1: A 26 HIS : no HE2:sc= -9.22! C(o=-9.3!,f=-11!) USER MOD Set 3.2: A 96 THR OG1 : rot -52:sc= -0.062 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -19:sc= 1.14 USER MOD Single : A 33 MET CE :methyl -169:sc= -0.375 (180deg=-0.895) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0842 X(o=-0.084,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 87:sc= 1.14 USER MOD Single : A 67 LYS NZ :NH3+ 173:sc= 0.45 (180deg=0.328) USER MOD Single : A 68 TYR OH : rot -109:sc= 0.644 USER MOD Single : A 69 ASN : amide:sc= 0.673 K(o=0.67,f=-0.91) USER MOD Single : A 73 LYS NZ :NH3+ 173:sc= -0.168 (180deg=-0.653) USER MOD Single : A 76 LYS NZ :NH3+ 144:sc= -1.14 (180deg=-1.44) USER MOD Single : A 78 MET CE :methyl 165:sc= 0 (180deg=-0.143) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 130:sc= -1.75 USER MOD Single : A 103 GLN : amide:sc= -0.78 K(o=-0.78,f=-3.3!) USER MOD Single : A 104 GLN : amide:sc= -0.654 X(o=-0.65,f=-0.19) USER MOD Single : A 105 ASN : amide:sc= -1.17! X(o=-1.2!,f=-1) 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 110 CYS SG : rot -34:sc= -1.35 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= -0.591 USER MOD Single : A 116 THR OG1 : rot 90:sc= 1.02 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=-4.7!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 296 N LEU A 23 3.442 -10.753 -9.115 1.00 0.00 N ATOM 297 CA LEU A 23 3.356 -9.487 -8.394 1.00 0.00 C ATOM 298 C LEU A 23 4.367 -8.482 -8.937 1.00 0.00 C ATOM 299 O LEU A 23 4.188 -7.271 -8.801 1.00 0.00 O ATOM 300 CB LEU A 23 3.596 -9.711 -6.900 1.00 0.00 C ATOM 301 CG LEU A 23 2.531 -10.525 -6.164 1.00 0.00 C ATOM 302 CD1 LEU A 23 2.946 -10.767 -4.721 1.00 0.00 C ATOM 303 CD2 LEU A 23 1.185 -9.817 -6.222 1.00 0.00 C ATOM 0 HA LEU A 23 2.354 -9.082 -8.538 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.556 -10.212 -6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.680 -8.738 -6.416 1.00 0.00 H new ATOM 0 HG LEU A 23 2.433 -11.491 -6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.176 -11.348 -4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.887 -11.316 -4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.073 -9.811 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.439 -10.410 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.269 -8.837 -5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.882 -9.696 -7.262 1.00 0.00 H new ATOM 315 N SER A 24 5.427 -8.991 -9.555 1.00 0.00 N ATOM 316 CA SER A 24 6.467 -8.138 -10.118 1.00 0.00 C ATOM 317 C SER A 24 5.884 -7.184 -11.157 1.00 0.00 C ATOM 318 O SER A 24 6.314 -6.037 -11.273 1.00 0.00 O ATOM 319 CB SER A 24 7.568 -8.990 -10.753 1.00 0.00 C ATOM 320 OG SER A 24 8.584 -8.177 -11.312 1.00 0.00 O ATOM 0 H SER A 24 5.589 -9.990 -9.679 1.00 0.00 H new ATOM 0 HA SER A 24 6.896 -7.548 -9.308 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.999 -9.651 -10.001 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.139 -9.625 -11.528 1.00 0.00 H new ATOM 0 HG SER A 24 9.276 -8.746 -11.710 1.00 0.00 H new ATOM 326 N VAL A 25 4.902 -7.668 -11.910 1.00 0.00 N ATOM 327 CA VAL A 25 4.258 -6.860 -12.938 1.00 0.00 C ATOM 328 C VAL A 25 3.743 -5.546 -12.363 1.00 0.00 C ATOM 329 O VAL A 25 3.714 -4.524 -13.049 1.00 0.00 O ATOM 330 CB VAL A 25 3.085 -7.615 -13.593 1.00 0.00 C ATOM 331 CG1 VAL A 25 3.550 -8.959 -14.132 1.00 0.00 C ATOM 332 CG2 VAL A 25 1.947 -7.794 -12.600 1.00 0.00 C ATOM 0 H VAL A 25 4.535 -8.616 -11.827 1.00 0.00 H new ATOM 0 HA VAL A 25 5.014 -6.651 -13.695 1.00 0.00 H new ATOM 0 HB VAL A 25 2.716 -7.023 -14.431 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.708 -9.478 -14.591 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.330 -8.802 -14.877 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.946 -9.562 -13.315 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.127 -8.329 -13.079 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.300 -8.365 -11.741 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.597 -6.817 -12.267 1.00 0.00 H new ATOM 342 N HIS A 26 3.338 -5.578 -11.097 1.00 0.00 N ATOM 343 CA HIS A 26 2.826 -4.389 -10.427 1.00 0.00 C ATOM 344 C HIS A 26 3.909 -3.321 -10.312 1.00 0.00 C ATOM 345 O HIS A 26 5.096 -3.604 -10.481 1.00 0.00 O ATOM 346 CB HIS A 26 2.297 -4.748 -9.038 1.00 0.00 C ATOM 347 CG HIS A 26 1.384 -5.934 -9.033 1.00 0.00 C ATOM 348 ND1 HIS A 26 0.380 -6.116 -9.961 1.00 0.00 N ATOM 349 CD2 HIS A 26 1.327 -7.005 -8.206 1.00 0.00 C ATOM 350 CE1 HIS A 26 -0.255 -7.245 -9.704 1.00 0.00 C ATOM 351 NE2 HIS A 26 0.301 -7.804 -8.645 1.00 0.00 N ATOM 0 H HIS A 26 3.355 -6.415 -10.515 1.00 0.00 H new ATOM 0 HA HIS A 26 2.008 -3.989 -11.026 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.141 -4.947 -8.377 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.766 -3.889 -8.627 1.00 0.00 H new ATOM 0 HD1 HIS A 26 0.162 -5.478 -10.726 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.969 -7.195 -7.359 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.088 -7.643 -10.265 1.00 0.00 H new ATOM 359 N LEU A 27 3.494 -2.092 -10.023 1.00 0.00 N ATOM 360 CA LEU A 27 4.429 -0.981 -9.886 1.00 0.00 C ATOM 361 C LEU A 27 4.915 -0.853 -8.446 1.00 0.00 C ATOM 362 O LEU A 27 6.061 -0.478 -8.199 1.00 0.00 O ATOM 363 CB LEU A 27 3.768 0.325 -10.331 1.00 0.00 C ATOM 364 CG LEU A 27 3.507 0.468 -11.831 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.727 1.742 -12.118 1.00 0.00 C ATOM 366 CD2 LEU A 27 4.818 0.459 -12.603 1.00 0.00 C ATOM 0 H LEU A 27 2.516 -1.840 -9.879 1.00 0.00 H new ATOM 0 HA LEU A 27 5.290 -1.182 -10.524 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.818 0.425 -9.806 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.398 1.155 -10.011 1.00 0.00 H new ATOM 0 HG LEU A 27 2.909 -0.382 -12.159 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.551 1.827 -13.190 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.771 1.709 -11.595 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.299 2.604 -11.775 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.613 0.562 -13.669 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.441 1.290 -12.271 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.340 -0.481 -12.423 1.00 0.00 H new ATOM 378 N TRP A 28 4.037 -1.169 -7.501 1.00 0.00 N ATOM 379 CA TRP A 28 4.378 -1.092 -6.085 1.00 0.00 C ATOM 380 C TRP A 28 5.121 -2.345 -5.634 1.00 0.00 C ATOM 381 O TRP A 28 5.185 -2.645 -4.442 1.00 0.00 O ATOM 382 CB TRP A 28 3.115 -0.903 -5.244 1.00 0.00 C ATOM 383 CG TRP A 28 1.938 -1.675 -5.759 1.00 0.00 C ATOM 384 CD1 TRP A 28 0.854 -1.173 -6.421 1.00 0.00 C ATOM 385 CD2 TRP A 28 1.727 -3.087 -5.653 1.00 0.00 C ATOM 386 NE1 TRP A 28 -0.019 -2.187 -6.733 1.00 0.00 N ATOM 387 CE2 TRP A 28 0.494 -3.372 -6.273 1.00 0.00 C ATOM 388 CE3 TRP A 28 2.459 -4.139 -5.097 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -0.019 -4.664 -6.350 1.00 0.00 C ATOM 390 CZ3 TRP A 28 1.948 -5.421 -5.174 1.00 0.00 C ATOM 391 CH2 TRP A 28 0.719 -5.674 -5.797 1.00 0.00 C ATOM 0 H TRP A 28 3.084 -1.481 -7.689 1.00 0.00 H new ATOM 0 HA TRP A 28 5.033 -0.233 -5.942 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.321 -1.209 -4.218 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.861 0.157 -5.215 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.705 -0.131 -6.664 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.905 -2.076 -7.227 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.408 -3.954 -4.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.966 -4.862 -6.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.506 -6.241 -4.747 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.347 -6.687 -5.841 1.00 0.00 H new ATOM 402 N TYR A 29 5.680 -3.073 -6.594 1.00 0.00 N ATOM 403 CA TYR A 29 6.417 -4.295 -6.295 1.00 0.00 C ATOM 404 C TYR A 29 7.890 -4.146 -6.661 1.00 0.00 C ATOM 405 O TYR A 29 8.283 -4.369 -7.805 1.00 0.00 O ATOM 406 CB TYR A 29 5.810 -5.479 -7.051 1.00 0.00 C ATOM 407 CG TYR A 29 6.099 -6.818 -6.411 1.00 0.00 C ATOM 408 CD1 TYR A 29 5.283 -7.319 -5.404 1.00 0.00 C ATOM 409 CD2 TYR A 29 7.187 -7.582 -6.813 1.00 0.00 C ATOM 410 CE1 TYR A 29 5.543 -8.542 -4.816 1.00 0.00 C ATOM 411 CE2 TYR A 29 7.454 -8.806 -6.231 1.00 0.00 C ATOM 412 CZ TYR A 29 6.630 -9.282 -5.233 1.00 0.00 C ATOM 413 OH TYR A 29 6.893 -10.500 -4.651 1.00 0.00 O ATOM 0 H TYR A 29 5.637 -2.838 -7.586 1.00 0.00 H new ATOM 0 HA TYR A 29 6.344 -4.480 -5.223 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.731 -5.343 -7.117 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.193 -5.483 -8.071 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.431 -6.743 -5.075 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.835 -7.213 -7.594 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.899 -8.917 -4.034 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.304 -9.387 -6.556 1.00 0.00 H new ATOM 0 HH TYR A 29 6.430 -10.558 -3.789 1.00 0.00 H new ATOM 423 N ALA A 30 8.702 -3.769 -5.678 1.00 0.00 N ATOM 424 CA ALA A 30 10.132 -3.593 -5.893 1.00 0.00 C ATOM 425 C ALA A 30 10.897 -4.875 -5.581 1.00 0.00 C ATOM 426 O ALA A 30 12.075 -4.837 -5.231 1.00 0.00 O ATOM 427 CB ALA A 30 10.656 -2.444 -5.045 1.00 0.00 C ATOM 0 H ALA A 30 8.393 -3.580 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 30 10.289 -3.355 -6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.726 -2.324 -5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.139 -1.524 -5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.479 -2.659 -3.991 1.00 0.00 H new ATOM 433 N GLY A 31 10.217 -6.010 -5.711 1.00 0.00 N ATOM 434 CA GLY A 31 10.848 -7.288 -5.438 1.00 0.00 C ATOM 435 C GLY A 31 11.758 -7.238 -4.226 1.00 0.00 C ATOM 436 O GLY A 31 11.488 -6.540 -3.249 1.00 0.00 O ATOM 0 H GLY A 31 9.241 -6.067 -6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.078 -8.043 -5.280 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.425 -7.598 -6.309 1.00 0.00 H new ATOM 440 N PRO A 32 12.864 -7.995 -4.281 1.00 0.00 N ATOM 441 CA PRO A 32 13.839 -8.052 -3.187 1.00 0.00 C ATOM 442 C PRO A 32 14.618 -6.750 -3.037 1.00 0.00 C ATOM 443 O PRO A 32 15.633 -6.543 -3.701 1.00 0.00 O ATOM 444 CB PRO A 32 14.774 -9.190 -3.605 1.00 0.00 C ATOM 445 CG PRO A 32 14.663 -9.245 -5.089 1.00 0.00 C ATOM 446 CD PRO A 32 13.249 -8.852 -5.415 1.00 0.00 C ATOM 0 HA PRO A 32 13.360 -8.209 -2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.800 -8.995 -3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.476 -10.135 -3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.375 -8.566 -5.559 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.885 -10.246 -5.460 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.189 -8.316 -6.362 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.599 -9.723 -5.500 1.00 0.00 H new ATOM 454 N MET A 33 14.137 -5.876 -2.159 1.00 0.00 N ATOM 455 CA MET A 33 14.791 -4.594 -1.921 1.00 0.00 C ATOM 456 C MET A 33 15.026 -4.373 -0.430 1.00 0.00 C ATOM 457 O MET A 33 14.176 -4.701 0.396 1.00 0.00 O ATOM 458 CB MET A 33 13.946 -3.453 -2.491 1.00 0.00 C ATOM 459 CG MET A 33 14.669 -2.116 -2.516 1.00 0.00 C ATOM 460 SD MET A 33 13.964 -0.968 -3.714 1.00 0.00 S ATOM 461 CE MET A 33 12.427 -0.534 -2.904 1.00 0.00 C ATOM 0 H MET A 33 13.298 -6.032 -1.601 1.00 0.00 H new ATOM 0 HA MET A 33 15.757 -4.607 -2.425 1.00 0.00 H new ATOM 0 HB2 MET A 33 13.639 -3.710 -3.505 1.00 0.00 H new ATOM 0 HB3 MET A 33 13.037 -3.354 -1.898 1.00 0.00 H new ATOM 0 HG2 MET A 33 14.631 -1.668 -1.523 1.00 0.00 H new ATOM 0 HG3 MET A 33 15.721 -2.280 -2.751 1.00 0.00 H new ATOM 0 HE1 MET A 33 11.790 0.012 -3.600 1.00 0.00 H new ATOM 0 HE2 MET A 33 11.917 -1.442 -2.581 1.00 0.00 H new ATOM 0 HE3 MET A 33 12.637 0.092 -2.037 1.00 0.00 H new ATOM 471 N GLU A 34 16.185 -3.815 -0.095 1.00 0.00 N ATOM 472 CA GLU A 34 16.531 -3.551 1.297 1.00 0.00 C ATOM 473 C GLU A 34 15.865 -2.270 1.790 1.00 0.00 C ATOM 474 O GLU A 34 15.333 -1.490 1.000 1.00 0.00 O ATOM 475 CB GLU A 34 18.049 -3.444 1.457 1.00 0.00 C ATOM 476 CG GLU A 34 18.798 -4.687 1.006 1.00 0.00 C ATOM 477 CD GLU A 34 20.302 -4.497 1.017 1.00 0.00 C ATOM 478 OE1 GLU A 34 20.763 -3.379 0.706 1.00 0.00 O ATOM 479 OE2 GLU A 34 21.019 -5.468 1.339 1.00 0.00 O ATOM 0 H GLU A 34 16.900 -3.537 -0.768 1.00 0.00 H new ATOM 0 HA GLU A 34 16.167 -4.384 1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.407 -2.587 0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.283 -3.249 2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.536 -5.521 1.657 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.477 -4.955 -0.000 1.00 0.00 H new ATOM 486 N ARG A 35 15.896 -2.061 3.102 1.00 0.00 N ATOM 487 CA ARG A 35 15.294 -0.876 3.702 1.00 0.00 C ATOM 488 C ARG A 35 15.834 0.395 3.054 1.00 0.00 C ATOM 489 O ARG A 35 15.072 1.213 2.539 1.00 0.00 O ATOM 490 CB ARG A 35 15.564 -0.848 5.208 1.00 0.00 C ATOM 491 CG ARG A 35 14.824 0.261 5.938 1.00 0.00 C ATOM 492 CD ARG A 35 15.227 0.329 7.403 1.00 0.00 C ATOM 493 NE ARG A 35 16.468 1.073 7.596 1.00 0.00 N ATOM 494 CZ ARG A 35 17.673 0.516 7.557 1.00 0.00 C ATOM 495 NH1 ARG A 35 17.798 -0.785 7.333 1.00 0.00 N ATOM 496 NH2 ARG A 35 18.756 1.260 7.742 1.00 0.00 N ATOM 0 H ARG A 35 16.332 -2.697 3.770 1.00 0.00 H new ATOM 0 HA ARG A 35 14.218 -0.920 3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 35 15.278 -1.808 5.638 1.00 0.00 H new ATOM 0 HB3 ARG A 35 16.635 -0.730 5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 35 15.033 1.217 5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.750 0.094 5.862 1.00 0.00 H new ATOM 0 HD2 ARG A 35 14.429 0.800 7.977 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.346 -0.682 7.793 1.00 0.00 H new ATOM 0 HE ARG A 35 16.406 2.076 7.770 1.00 0.00 H new ATOM 0 HH11 ARG A 35 16.968 -1.360 7.190 1.00 0.00 H new ATOM 0 HH12 ARG A 35 18.724 -1.211 7.303 1.00 0.00 H new ATOM 0 HH21 ARG A 35 18.664 2.261 7.914 1.00 0.00 H new ATOM 0 HH22 ARG A 35 19.681 0.831 7.712 1.00 0.00 H new ATOM 510 N ALA A 36 17.153 0.554 3.083 1.00 0.00 N ATOM 511 CA ALA A 36 17.795 1.725 2.498 1.00 0.00 C ATOM 512 C ALA A 36 17.138 2.107 1.176 1.00 0.00 C ATOM 513 O ALA A 36 16.526 3.168 1.059 1.00 0.00 O ATOM 514 CB ALA A 36 19.281 1.466 2.296 1.00 0.00 C ATOM 0 H ALA A 36 17.798 -0.114 3.506 1.00 0.00 H new ATOM 0 HA ALA A 36 17.674 2.559 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 36 19.748 2.348 1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 36 19.746 1.248 3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 36 19.415 0.616 1.627 1.00 0.00 H new ATOM 520 N GLY A 37 17.270 1.235 0.180 1.00 0.00 N ATOM 521 CA GLY A 37 16.685 1.500 -1.121 1.00 0.00 C ATOM 522 C GLY A 37 15.341 2.194 -1.021 1.00 0.00 C ATOM 523 O GLY A 37 15.120 3.227 -1.653 1.00 0.00 O ATOM 0 H GLY A 37 17.772 0.350 0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 37 17.368 2.119 -1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.566 0.561 -1.661 1.00 0.00 H new ATOM 527 N ALA A 38 14.440 1.626 -0.227 1.00 0.00 N ATOM 528 CA ALA A 38 13.111 2.197 -0.047 1.00 0.00 C ATOM 529 C ALA A 38 13.191 3.591 0.567 1.00 0.00 C ATOM 530 O ALA A 38 12.482 4.505 0.147 1.00 0.00 O ATOM 531 CB ALA A 38 12.257 1.285 0.821 1.00 0.00 C ATOM 0 H ALA A 38 14.606 0.770 0.302 1.00 0.00 H new ATOM 0 HA ALA A 38 12.646 2.286 -1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.267 1.724 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.163 0.310 0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.728 1.166 1.797 1.00 0.00 H new ATOM 537 N GLU A 39 14.059 3.745 1.562 1.00 0.00 N ATOM 538 CA GLU A 39 14.230 5.028 2.234 1.00 0.00 C ATOM 539 C GLU A 39 14.893 6.044 1.307 1.00 0.00 C ATOM 540 O GLU A 39 14.758 7.252 1.496 1.00 0.00 O ATOM 541 CB GLU A 39 15.066 4.857 3.503 1.00 0.00 C ATOM 542 CG GLU A 39 14.352 4.092 4.605 1.00 0.00 C ATOM 543 CD GLU A 39 14.828 4.484 5.990 1.00 0.00 C ATOM 544 OE1 GLU A 39 15.350 5.608 6.142 1.00 0.00 O ATOM 545 OE2 GLU A 39 14.679 3.666 6.922 1.00 0.00 O ATOM 0 H GLU A 39 14.654 2.998 1.920 1.00 0.00 H new ATOM 0 HA GLU A 39 13.243 5.401 2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.990 4.337 3.251 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.346 5.841 3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.279 4.270 4.530 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.508 3.023 4.460 1.00 0.00 H new ATOM 552 N SER A 40 15.610 5.543 0.307 1.00 0.00 N ATOM 553 CA SER A 40 16.298 6.405 -0.647 1.00 0.00 C ATOM 554 C SER A 40 15.449 6.620 -1.896 1.00 0.00 C ATOM 555 O SER A 40 15.605 7.618 -2.601 1.00 0.00 O ATOM 556 CB SER A 40 17.649 5.798 -1.033 1.00 0.00 C ATOM 557 OG SER A 40 18.283 6.565 -2.042 1.00 0.00 O ATOM 0 H SER A 40 15.730 4.545 0.136 1.00 0.00 H new ATOM 0 HA SER A 40 16.464 7.372 -0.171 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.292 5.745 -0.154 1.00 0.00 H new ATOM 0 HB3 SER A 40 17.505 4.776 -1.385 1.00 0.00 H new ATOM 0 HG SER A 40 19.145 6.157 -2.270 1.00 0.00 H new ATOM 563 N ILE A 41 14.551 5.678 -2.163 1.00 0.00 N ATOM 564 CA ILE A 41 13.676 5.764 -3.325 1.00 0.00 C ATOM 565 C ILE A 41 12.511 6.713 -3.067 1.00 0.00 C ATOM 566 O ILE A 41 12.297 7.669 -3.814 1.00 0.00 O ATOM 567 CB ILE A 41 13.121 4.382 -3.716 1.00 0.00 C ATOM 568 CG1 ILE A 41 14.241 3.495 -4.264 1.00 0.00 C ATOM 569 CG2 ILE A 41 12.006 4.529 -4.740 1.00 0.00 C ATOM 570 CD1 ILE A 41 14.018 2.019 -4.017 1.00 0.00 C ATOM 0 H ILE A 41 14.410 4.846 -1.590 1.00 0.00 H new ATOM 0 HA ILE A 41 14.280 6.149 -4.147 1.00 0.00 H new ATOM 0 HB ILE A 41 12.709 3.907 -2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.337 3.665 -5.336 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.185 3.793 -3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.624 3.543 -5.006 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.200 5.128 -4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.394 5.021 -5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 41 14.851 1.451 -4.432 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.952 1.835 -2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.090 1.706 -4.496 1.00 0.00 H new ATOM 582 N LEU A 42 11.761 6.445 -2.004 1.00 0.00 N ATOM 583 CA LEU A 42 10.617 7.276 -1.645 1.00 0.00 C ATOM 584 C LEU A 42 11.074 8.584 -1.006 1.00 0.00 C ATOM 585 O LEU A 42 10.308 9.543 -0.918 1.00 0.00 O ATOM 586 CB LEU A 42 9.695 6.521 -0.686 1.00 0.00 C ATOM 587 CG LEU A 42 9.293 5.109 -1.113 1.00 0.00 C ATOM 588 CD1 LEU A 42 8.619 4.375 0.036 1.00 0.00 C ATOM 589 CD2 LEU A 42 8.375 5.160 -2.326 1.00 0.00 C ATOM 0 H LEU A 42 11.924 5.659 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 42 10.068 7.511 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.186 6.459 0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.788 7.109 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 42 10.195 4.562 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.340 3.372 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.308 4.307 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.725 4.920 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.099 4.146 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.476 5.724 -2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.892 5.646 -3.153 1.00 0.00 H new ATOM 601 N ALA A 43 12.327 8.614 -0.564 1.00 0.00 N ATOM 602 CA ALA A 43 12.887 9.805 0.063 1.00 0.00 C ATOM 603 C ALA A 43 12.654 11.041 -0.800 1.00 0.00 C ATOM 604 O ALA A 43 12.222 12.082 -0.307 1.00 0.00 O ATOM 605 CB ALA A 43 14.373 9.615 0.324 1.00 0.00 C ATOM 0 H ALA A 43 12.973 7.828 -0.628 1.00 0.00 H new ATOM 0 HA ALA A 43 12.378 9.957 1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.778 10.512 0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.520 8.762 0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.888 9.434 -0.620 1.00 0.00 H new ATOM 611 N ASN A 44 12.943 10.918 -2.092 1.00 0.00 N ATOM 612 CA ASN A 44 12.766 12.026 -3.023 1.00 0.00 C ATOM 613 C ASN A 44 11.340 12.060 -3.563 1.00 0.00 C ATOM 614 O ASN A 44 10.797 13.129 -3.843 1.00 0.00 O ATOM 615 CB ASN A 44 13.759 11.909 -4.182 1.00 0.00 C ATOM 616 CG ASN A 44 15.145 12.398 -3.807 1.00 0.00 C ATOM 617 OD1 ASN A 44 15.619 13.410 -4.324 1.00 0.00 O ATOM 618 ND2 ASN A 44 15.802 11.678 -2.905 1.00 0.00 N ATOM 0 H ASN A 44 13.300 10.063 -2.517 1.00 0.00 H new ATOM 0 HA ASN A 44 12.954 12.955 -2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.818 10.869 -4.503 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.391 12.484 -5.032 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.739 11.957 -2.614 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.370 10.846 -2.503 1.00 0.00 H new ATOM 625 N ARG A 45 10.738 10.884 -3.705 1.00 0.00 N ATOM 626 CA ARG A 45 9.375 10.779 -4.212 1.00 0.00 C ATOM 627 C ARG A 45 8.455 11.769 -3.505 1.00 0.00 C ATOM 628 O ARG A 45 8.869 12.461 -2.574 1.00 0.00 O ATOM 629 CB ARG A 45 8.848 9.355 -4.026 1.00 0.00 C ATOM 630 CG ARG A 45 9.564 8.324 -4.883 1.00 0.00 C ATOM 631 CD ARG A 45 9.024 8.308 -6.304 1.00 0.00 C ATOM 632 NE ARG A 45 9.244 9.579 -6.988 1.00 0.00 N ATOM 633 CZ ARG A 45 10.441 10.010 -7.371 1.00 0.00 C ATOM 634 NH1 ARG A 45 11.519 9.274 -7.139 1.00 0.00 N ATOM 635 NH2 ARG A 45 10.561 11.178 -7.988 1.00 0.00 N ATOM 0 H ARG A 45 11.173 9.990 -3.476 1.00 0.00 H new ATOM 0 HA ARG A 45 9.390 11.018 -5.275 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.946 9.074 -2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.784 9.336 -4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.632 8.543 -4.901 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.448 7.336 -4.438 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.504 7.507 -6.865 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.957 8.087 -6.284 1.00 0.00 H new ATOM 0 HE ARG A 45 8.434 10.168 -7.182 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.430 8.375 -6.666 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.437 9.607 -7.434 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.734 11.747 -8.169 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.481 11.508 -8.281 1.00 0.00 H new ATOM 649 N SER A 46 7.205 11.832 -3.953 1.00 0.00 N ATOM 650 CA SER A 46 6.227 12.741 -3.366 1.00 0.00 C ATOM 651 C SER A 46 5.410 12.037 -2.287 1.00 0.00 C ATOM 652 O SER A 46 4.983 10.896 -2.462 1.00 0.00 O ATOM 653 CB SER A 46 5.296 13.290 -4.449 1.00 0.00 C ATOM 654 OG SER A 46 5.764 14.534 -4.941 1.00 0.00 O ATOM 0 H SER A 46 6.846 11.264 -4.721 1.00 0.00 H new ATOM 0 HA SER A 46 6.767 13.569 -2.906 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.225 12.575 -5.268 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.292 13.411 -4.043 1.00 0.00 H new ATOM 0 HG SER A 46 5.153 14.863 -5.633 1.00 0.00 H new ATOM 660 N ASP A 47 5.198 12.726 -1.171 1.00 0.00 N ATOM 661 CA ASP A 47 4.432 12.169 -0.063 1.00 0.00 C ATOM 662 C ASP A 47 3.245 11.360 -0.575 1.00 0.00 C ATOM 663 O ASP A 47 2.446 11.848 -1.373 1.00 0.00 O ATOM 664 CB ASP A 47 3.943 13.287 0.860 1.00 0.00 C ATOM 665 CG ASP A 47 2.773 14.052 0.273 1.00 0.00 C ATOM 666 OD1 ASP A 47 3.013 14.969 -0.540 1.00 0.00 O ATOM 667 OD2 ASP A 47 1.618 13.734 0.626 1.00 0.00 O ATOM 0 H ASP A 47 5.546 13.671 -1.010 1.00 0.00 H new ATOM 0 HA ASP A 47 5.086 11.503 0.500 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.650 12.860 1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.763 13.977 1.056 1.00 0.00 H new ATOM 672 N GLY A 48 3.136 10.118 -0.110 1.00 0.00 N ATOM 673 CA GLY A 48 2.045 9.261 -0.533 1.00 0.00 C ATOM 674 C GLY A 48 2.518 8.093 -1.377 1.00 0.00 C ATOM 675 O GLY A 48 1.824 7.083 -1.498 1.00 0.00 O ATOM 0 H GLY A 48 3.784 9.691 0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.523 8.882 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.325 9.849 -1.103 1.00 0.00 H new ATOM 679 N THR A 49 3.703 8.231 -1.963 1.00 0.00 N ATOM 680 CA THR A 49 4.267 7.181 -2.801 1.00 0.00 C ATOM 681 C THR A 49 4.570 5.929 -1.986 1.00 0.00 C ATOM 682 O THR A 49 5.511 5.905 -1.192 1.00 0.00 O ATOM 683 CB THR A 49 5.559 7.651 -3.497 1.00 0.00 C ATOM 684 OG1 THR A 49 5.355 8.938 -4.091 1.00 0.00 O ATOM 685 CG2 THR A 49 5.991 6.657 -4.565 1.00 0.00 C ATOM 0 H THR A 49 4.291 9.060 -1.872 1.00 0.00 H new ATOM 0 HA THR A 49 3.519 6.946 -3.558 1.00 0.00 H new ATOM 0 HB THR A 49 6.346 7.718 -2.746 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.539 9.637 -3.429 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.905 7.010 -5.042 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.174 5.686 -4.105 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.204 6.562 -5.313 1.00 0.00 H new ATOM 693 N PHE A 50 3.767 4.889 -2.187 1.00 0.00 N ATOM 694 CA PHE A 50 3.948 3.633 -1.470 1.00 0.00 C ATOM 695 C PHE A 50 4.730 2.632 -2.315 1.00 0.00 C ATOM 696 O PHE A 50 4.704 2.687 -3.546 1.00 0.00 O ATOM 697 CB PHE A 50 2.591 3.041 -1.083 1.00 0.00 C ATOM 698 CG PHE A 50 1.828 2.480 -2.248 1.00 0.00 C ATOM 699 CD1 PHE A 50 1.197 3.323 -3.150 1.00 0.00 C ATOM 700 CD2 PHE A 50 1.741 1.111 -2.443 1.00 0.00 C ATOM 701 CE1 PHE A 50 0.493 2.809 -4.223 1.00 0.00 C ATOM 702 CE2 PHE A 50 1.039 0.592 -3.515 1.00 0.00 C ATOM 703 CZ PHE A 50 0.415 1.442 -4.406 1.00 0.00 C ATOM 0 H PHE A 50 2.984 4.892 -2.841 1.00 0.00 H new ATOM 0 HA PHE A 50 4.517 3.840 -0.564 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.744 2.253 -0.346 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.990 3.814 -0.603 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.256 4.393 -3.013 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.227 0.441 -1.749 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.004 3.476 -4.918 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.979 -0.477 -3.655 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.133 1.039 -5.245 1.00 0.00 H new ATOM 713 N LEU A 51 5.426 1.718 -1.647 1.00 0.00 N ATOM 714 CA LEU A 51 6.216 0.704 -2.336 1.00 0.00 C ATOM 715 C LEU A 51 6.319 -0.567 -1.500 1.00 0.00 C ATOM 716 O LEU A 51 6.689 -0.523 -0.326 1.00 0.00 O ATOM 717 CB LEU A 51 7.616 1.241 -2.642 1.00 0.00 C ATOM 718 CG LEU A 51 8.680 0.987 -1.574 1.00 0.00 C ATOM 719 CD1 LEU A 51 9.062 -0.484 -1.540 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.906 1.853 -1.826 1.00 0.00 C ATOM 0 H LEU A 51 5.459 1.659 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 51 5.713 0.461 -3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.957 0.799 -3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.543 2.316 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 51 8.264 1.255 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.820 -0.645 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.181 -1.083 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.459 -0.779 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.653 1.659 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.324 1.616 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.621 2.905 -1.798 1.00 0.00 H new ATOM 732 N VAL A 52 5.990 -1.700 -2.112 1.00 0.00 N ATOM 733 CA VAL A 52 6.048 -2.985 -1.426 1.00 0.00 C ATOM 734 C VAL A 52 7.375 -3.688 -1.686 1.00 0.00 C ATOM 735 O VAL A 52 7.733 -3.956 -2.833 1.00 0.00 O ATOM 736 CB VAL A 52 4.896 -3.909 -1.864 1.00 0.00 C ATOM 737 CG1 VAL A 52 4.872 -5.172 -1.017 1.00 0.00 C ATOM 738 CG2 VAL A 52 3.565 -3.176 -1.781 1.00 0.00 C ATOM 0 H VAL A 52 5.680 -1.754 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 52 5.952 -2.778 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 52 5.061 -4.200 -2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.051 -5.812 -1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.816 -5.705 -1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.732 -4.905 0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.762 -3.843 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.390 -2.854 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.588 -2.304 -2.435 1.00 0.00 H new ATOM 748 N ARG A 53 8.102 -3.986 -0.614 1.00 0.00 N ATOM 749 CA ARG A 53 9.391 -4.658 -0.726 1.00 0.00 C ATOM 750 C ARG A 53 9.400 -5.955 0.077 1.00 0.00 C ATOM 751 O ARG A 53 8.565 -6.155 0.959 1.00 0.00 O ATOM 752 CB ARG A 53 10.513 -3.738 -0.243 1.00 0.00 C ATOM 753 CG ARG A 53 10.350 -3.283 1.199 1.00 0.00 C ATOM 754 CD ARG A 53 11.106 -1.991 1.464 1.00 0.00 C ATOM 755 NE ARG A 53 10.906 -1.511 2.829 1.00 0.00 N ATOM 756 CZ ARG A 53 11.413 -2.110 3.900 1.00 0.00 C ATOM 757 NH1 ARG A 53 12.147 -3.207 3.766 1.00 0.00 N ATOM 758 NH2 ARG A 53 11.188 -1.613 5.110 1.00 0.00 N ATOM 0 H ARG A 53 7.820 -3.772 0.343 1.00 0.00 H new ATOM 0 HA ARG A 53 9.556 -4.901 -1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.466 -4.257 -0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.556 -2.861 -0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.292 -3.139 1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.712 -4.062 1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.170 -2.151 1.288 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.777 -1.227 0.759 1.00 0.00 H new ATOM 0 HE ARG A 53 10.346 -0.670 2.967 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.323 -3.593 2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.535 -3.665 4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.625 -0.770 5.218 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.578 -2.075 5.932 1.00 0.00 H new ATOM 898 N PHE A 62 6.904 -9.688 3.459 1.00 0.00 N ATOM 899 CA PHE A 62 6.694 -8.485 2.663 1.00 0.00 C ATOM 900 C PHE A 62 6.471 -7.271 3.560 1.00 0.00 C ATOM 901 O PHE A 62 6.189 -7.408 4.750 1.00 0.00 O ATOM 902 CB PHE A 62 5.496 -8.669 1.728 1.00 0.00 C ATOM 903 CG PHE A 62 5.790 -9.544 0.543 1.00 0.00 C ATOM 904 CD1 PHE A 62 5.878 -10.920 0.687 1.00 0.00 C ATOM 905 CD2 PHE A 62 5.977 -8.992 -0.713 1.00 0.00 C ATOM 906 CE1 PHE A 62 6.149 -11.727 -0.402 1.00 0.00 C ATOM 907 CE2 PHE A 62 6.247 -9.795 -1.806 1.00 0.00 C ATOM 908 CZ PHE A 62 6.333 -11.164 -1.650 1.00 0.00 C ATOM 0 HA PHE A 62 7.590 -8.314 2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.668 -9.100 2.291 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.167 -7.692 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.733 -11.366 1.660 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.911 -7.922 -0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.217 -12.798 -0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.390 -9.352 -2.780 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.544 -11.794 -2.502 1.00 0.00 H new ATOM 918 N ALA A 63 6.600 -6.082 2.979 1.00 0.00 N ATOM 919 CA ALA A 63 6.411 -4.844 3.725 1.00 0.00 C ATOM 920 C ALA A 63 6.065 -3.689 2.791 1.00 0.00 C ATOM 921 O ALA A 63 6.668 -3.535 1.729 1.00 0.00 O ATOM 922 CB ALA A 63 7.660 -4.518 4.531 1.00 0.00 C ATOM 0 H ALA A 63 6.834 -5.950 1.995 1.00 0.00 H new ATOM 0 HA ALA A 63 5.576 -4.985 4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.505 -3.591 5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.863 -5.328 5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.508 -4.401 3.856 1.00 0.00 H new ATOM 928 N ILE A 64 5.091 -2.880 3.195 1.00 0.00 N ATOM 929 CA ILE A 64 4.666 -1.739 2.394 1.00 0.00 C ATOM 930 C ILE A 64 5.216 -0.434 2.960 1.00 0.00 C ATOM 931 O ILE A 64 4.754 0.050 3.994 1.00 0.00 O ATOM 932 CB ILE A 64 3.130 -1.645 2.318 1.00 0.00 C ATOM 933 CG1 ILE A 64 2.577 -2.729 1.390 1.00 0.00 C ATOM 934 CG2 ILE A 64 2.707 -0.264 1.840 1.00 0.00 C ATOM 935 CD1 ILE A 64 1.203 -3.221 1.788 1.00 0.00 C ATOM 0 H ILE A 64 4.582 -2.994 4.072 1.00 0.00 H new ATOM 0 HA ILE A 64 5.063 -1.893 1.391 1.00 0.00 H new ATOM 0 HB ILE A 64 2.721 -1.803 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.534 -2.338 0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.267 -3.573 1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.619 -0.213 1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.075 0.490 2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.123 -0.078 0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.874 -3.988 1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.244 -3.642 2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.500 -2.388 1.772 1.00 0.00 H new ATOM 947 N SER A 65 6.204 0.132 2.275 1.00 0.00 N ATOM 948 CA SER A 65 6.819 1.380 2.710 1.00 0.00 C ATOM 949 C SER A 65 6.405 2.535 1.803 1.00 0.00 C ATOM 950 O SER A 65 6.457 2.425 0.578 1.00 0.00 O ATOM 951 CB SER A 65 8.343 1.246 2.721 1.00 0.00 C ATOM 952 OG SER A 65 8.944 2.316 3.429 1.00 0.00 O ATOM 0 H SER A 65 6.596 -0.254 1.416 1.00 0.00 H new ATOM 0 HA SER A 65 6.473 1.593 3.721 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.625 0.298 3.180 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.717 1.228 1.697 1.00 0.00 H new ATOM 0 HG SER A 65 9.495 1.958 4.157 1.00 0.00 H new ATOM 958 N ILE A 66 5.995 3.641 2.414 1.00 0.00 N ATOM 959 CA ILE A 66 5.573 4.817 1.663 1.00 0.00 C ATOM 960 C ILE A 66 6.111 6.096 2.296 1.00 0.00 C ATOM 961 O ILE A 66 6.562 6.093 3.441 1.00 0.00 O ATOM 962 CB ILE A 66 4.038 4.907 1.574 1.00 0.00 C ATOM 963 CG1 ILE A 66 3.493 5.807 2.685 1.00 0.00 C ATOM 964 CG2 ILE A 66 3.420 3.520 1.658 1.00 0.00 C ATOM 965 CD1 ILE A 66 3.901 5.367 4.074 1.00 0.00 C ATOM 0 H ILE A 66 5.946 3.748 3.427 1.00 0.00 H new ATOM 0 HA ILE A 66 5.981 4.713 0.658 1.00 0.00 H new ATOM 0 HB ILE A 66 3.770 5.345 0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.841 6.827 2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.405 5.827 2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.335 3.601 1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.788 2.907 0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.694 3.056 2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.479 6.051 4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.530 4.359 4.260 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.988 5.374 4.153 1.00 0.00 H new ATOM 977 N LYS A 67 6.057 7.190 1.543 1.00 0.00 N ATOM 978 CA LYS A 67 6.536 8.478 2.030 1.00 0.00 C ATOM 979 C LYS A 67 5.437 9.214 2.790 1.00 0.00 C ATOM 980 O LYS A 67 4.436 9.629 2.206 1.00 0.00 O ATOM 981 CB LYS A 67 7.027 9.337 0.863 1.00 0.00 C ATOM 982 CG LYS A 67 7.649 10.653 1.295 1.00 0.00 C ATOM 983 CD LYS A 67 9.021 10.445 1.914 1.00 0.00 C ATOM 984 CE LYS A 67 9.638 11.762 2.358 1.00 0.00 C ATOM 985 NZ LYS A 67 10.318 12.464 1.234 1.00 0.00 N ATOM 0 H LYS A 67 5.686 7.210 0.593 1.00 0.00 H new ATOM 0 HA LYS A 67 7.366 8.295 2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.760 8.770 0.289 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.189 9.542 0.197 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.734 11.316 0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.995 11.147 2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.937 9.775 2.769 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.677 9.960 1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.861 12.406 2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.356 11.576 3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.622 13.408 1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.149 11.915 0.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.659 12.560 0.435 1.00 0.00 H new ATOM 999 N TYR A 68 5.632 9.375 4.094 1.00 0.00 N ATOM 1000 CA TYR A 68 4.658 10.061 4.934 1.00 0.00 C ATOM 1001 C TYR A 68 5.352 10.878 6.019 1.00 0.00 C ATOM 1002 O TYR A 68 6.398 10.485 6.534 1.00 0.00 O ATOM 1003 CB TYR A 68 3.704 9.050 5.574 1.00 0.00 C ATOM 1004 CG TYR A 68 2.402 9.659 6.042 1.00 0.00 C ATOM 1005 CD1 TYR A 68 2.275 10.171 7.328 1.00 0.00 C ATOM 1006 CD2 TYR A 68 1.298 9.722 5.200 1.00 0.00 C ATOM 1007 CE1 TYR A 68 1.087 10.728 7.761 1.00 0.00 C ATOM 1008 CE2 TYR A 68 0.107 10.278 5.624 1.00 0.00 C ATOM 1009 CZ TYR A 68 0.006 10.780 6.905 1.00 0.00 C ATOM 1010 OH TYR A 68 -1.179 11.334 7.332 1.00 0.00 O ATOM 0 H TYR A 68 6.456 9.039 4.592 1.00 0.00 H new ATOM 0 HA TYR A 68 4.087 10.741 4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.488 8.261 4.854 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.201 8.580 6.423 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.119 10.133 8.000 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.373 9.329 4.197 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.005 11.120 8.764 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.741 10.320 4.956 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.845 10.626 7.456 1.00 0.00 H new ATOM 1020 N ASN A 69 4.762 12.019 6.360 1.00 0.00 N ATOM 1021 CA ASN A 69 5.323 12.894 7.383 1.00 0.00 C ATOM 1022 C ASN A 69 6.792 13.191 7.099 1.00 0.00 C ATOM 1023 O ASN A 69 7.588 13.380 8.019 1.00 0.00 O ATOM 1024 CB ASN A 69 5.179 12.253 8.766 1.00 0.00 C ATOM 1025 CG ASN A 69 4.985 13.283 9.862 1.00 0.00 C ATOM 1026 OD1 ASN A 69 4.294 14.284 9.674 1.00 0.00 O ATOM 1027 ND2 ASN A 69 5.597 13.040 11.016 1.00 0.00 N ATOM 0 H ASN A 69 3.896 12.359 5.943 1.00 0.00 H new ATOM 0 HA ASN A 69 4.771 13.834 7.365 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.331 11.569 8.760 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.067 11.659 8.982 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.504 13.697 11.791 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.160 12.197 11.127 1.00 0.00 H new ATOM 1034 N VAL A 70 7.144 13.233 5.818 1.00 0.00 N ATOM 1035 CA VAL A 70 8.517 13.509 5.411 1.00 0.00 C ATOM 1036 C VAL A 70 9.459 12.399 5.864 1.00 0.00 C ATOM 1037 O VAL A 70 10.656 12.621 6.038 1.00 0.00 O ATOM 1038 CB VAL A 70 9.012 14.852 5.981 1.00 0.00 C ATOM 1039 CG1 VAL A 70 7.854 15.826 6.136 1.00 0.00 C ATOM 1040 CG2 VAL A 70 9.719 14.637 7.311 1.00 0.00 C ATOM 0 H VAL A 70 6.498 13.079 5.044 1.00 0.00 H new ATOM 0 HA VAL A 70 8.520 13.561 4.322 1.00 0.00 H new ATOM 0 HB VAL A 70 9.727 15.283 5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.223 16.769 6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.395 16.003 5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.113 15.405 6.816 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.062 15.596 7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.028 14.184 8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.574 13.977 7.166 1.00 0.00 H new ATOM 1050 N GLU A 71 8.908 11.204 6.052 1.00 0.00 N ATOM 1051 CA GLU A 71 9.700 10.059 6.485 1.00 0.00 C ATOM 1052 C GLU A 71 9.202 8.774 5.830 1.00 0.00 C ATOM 1053 O GLU A 71 7.998 8.566 5.682 1.00 0.00 O ATOM 1054 CB GLU A 71 9.648 9.921 8.008 1.00 0.00 C ATOM 1055 CG GLU A 71 8.301 10.289 8.607 1.00 0.00 C ATOM 1056 CD GLU A 71 8.280 10.160 10.117 1.00 0.00 C ATOM 1057 OE1 GLU A 71 8.952 9.250 10.645 1.00 0.00 O ATOM 1058 OE2 GLU A 71 7.590 10.970 10.772 1.00 0.00 O ATOM 0 H GLU A 71 7.918 11.004 5.911 1.00 0.00 H new ATOM 0 HA GLU A 71 10.732 10.227 6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.888 8.893 8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.417 10.555 8.448 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.052 11.313 8.330 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.530 9.647 8.180 1.00 0.00 H new ATOM 1065 N VAL A 72 10.138 7.914 5.439 1.00 0.00 N ATOM 1066 CA VAL A 72 9.795 6.649 4.800 1.00 0.00 C ATOM 1067 C VAL A 72 9.372 5.610 5.832 1.00 0.00 C ATOM 1068 O VAL A 72 10.210 4.946 6.442 1.00 0.00 O ATOM 1069 CB VAL A 72 10.977 6.094 3.984 1.00 0.00 C ATOM 1070 CG1 VAL A 72 10.588 4.794 3.296 1.00 0.00 C ATOM 1071 CG2 VAL A 72 11.452 7.123 2.968 1.00 0.00 C ATOM 0 H VAL A 72 11.139 8.071 5.554 1.00 0.00 H new ATOM 0 HA VAL A 72 8.961 6.850 4.127 1.00 0.00 H new ATOM 0 HB VAL A 72 11.800 5.883 4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.436 4.417 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.300 4.057 4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.749 4.975 2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.288 6.714 2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.636 7.367 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.773 8.026 3.487 1.00 0.00 H new ATOM 1081 N LYS A 73 8.064 5.472 6.023 1.00 0.00 N ATOM 1082 CA LYS A 73 7.527 4.512 6.980 1.00 0.00 C ATOM 1083 C LYS A 73 7.438 3.120 6.362 1.00 0.00 C ATOM 1084 O LYS A 73 7.315 3.010 5.143 1.00 0.00 O ATOM 1085 CB LYS A 73 6.143 4.958 7.459 1.00 0.00 C ATOM 1086 CG LYS A 73 6.058 6.442 7.773 1.00 0.00 C ATOM 1087 CD LYS A 73 6.591 6.749 9.162 1.00 0.00 C ATOM 1088 CE LYS A 73 5.860 7.925 9.793 1.00 0.00 C ATOM 1089 NZ LYS A 73 6.273 8.141 11.207 1.00 0.00 N ATOM 0 H LYS A 73 7.356 6.013 5.527 1.00 0.00 H new ATOM 0 HA LYS A 73 8.204 4.469 7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.407 4.714 6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.876 4.390 8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.626 7.005 7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.022 6.772 7.699 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.483 5.869 9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.657 6.971 9.103 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.058 8.828 9.215 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.785 7.749 9.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.844 9.019 11.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.955 7.339 11.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.309 8.216 11.258 1.00 0.00 H new ATOM 1103 N HIS A 74 7.500 2.100 7.206 1.00 0.00 N ATOM 1104 CA HIS A 74 7.424 0.730 6.730 1.00 0.00 C ATOM 1105 C HIS A 74 6.203 0.040 7.343 1.00 0.00 C ATOM 1106 O HIS A 74 5.835 0.270 8.495 1.00 0.00 O ATOM 1107 CB HIS A 74 8.729 -0.016 7.011 1.00 0.00 C ATOM 1108 CG HIS A 74 9.972 0.805 6.761 1.00 0.00 C ATOM 1109 ND1 HIS A 74 10.501 0.998 5.497 1.00 0.00 N ATOM 1110 CD2 HIS A 74 10.782 1.481 7.626 1.00 0.00 C ATOM 1111 CE1 HIS A 74 11.582 1.756 5.608 1.00 0.00 C ATOM 1112 NE2 HIS A 74 11.755 2.054 6.928 1.00 0.00 N ATOM 0 H HIS A 74 7.602 2.196 8.216 1.00 0.00 H new ATOM 0 HA HIS A 74 7.296 0.724 5.648 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.729 -0.349 8.049 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.765 -0.910 6.389 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.653 1.540 8.697 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.215 2.081 4.796 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.508 2.623 7.315 1.00 0.00 H new ATOM 1120 N ILE A 75 5.580 -0.816 6.541 1.00 0.00 N ATOM 1121 CA ILE A 75 4.401 -1.553 6.979 1.00 0.00 C ATOM 1122 C ILE A 75 4.616 -3.058 6.855 1.00 0.00 C ATOM 1123 O ILE A 75 4.576 -3.614 5.758 1.00 0.00 O ATOM 1124 CB ILE A 75 3.155 -1.156 6.166 1.00 0.00 C ATOM 1125 CG1 ILE A 75 3.059 0.367 6.049 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.899 -1.722 6.812 1.00 0.00 C ATOM 1127 CD1 ILE A 75 2.420 1.026 7.251 1.00 0.00 C ATOM 0 H ILE A 75 5.872 -1.017 5.584 1.00 0.00 H new ATOM 0 HA ILE A 75 4.239 -1.296 8.026 1.00 0.00 H new ATOM 0 HB ILE A 75 3.245 -1.574 5.163 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.060 0.776 5.909 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.484 0.619 5.158 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.027 -1.433 6.226 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.967 -2.809 6.849 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.802 -1.330 7.824 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.385 2.105 7.099 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.407 0.645 7.379 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.007 0.804 8.142 1.00 0.00 H new ATOM 1139 N LYS A 76 4.843 -3.712 7.989 1.00 0.00 N ATOM 1140 CA LYS A 76 5.062 -5.154 8.010 1.00 0.00 C ATOM 1141 C LYS A 76 3.858 -5.895 7.436 1.00 0.00 C ATOM 1142 O LYS A 76 2.712 -5.572 7.749 1.00 0.00 O ATOM 1143 CB LYS A 76 5.332 -5.628 9.440 1.00 0.00 C ATOM 1144 CG LYS A 76 5.167 -7.127 9.625 1.00 0.00 C ATOM 1145 CD LYS A 76 5.700 -7.585 10.972 1.00 0.00 C ATOM 1146 CE LYS A 76 4.705 -7.308 12.089 1.00 0.00 C ATOM 1147 NZ LYS A 76 3.494 -8.167 11.978 1.00 0.00 N ATOM 0 H LYS A 76 4.880 -3.267 8.906 1.00 0.00 H new ATOM 0 HA LYS A 76 5.931 -5.374 7.390 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.346 -5.345 9.722 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.655 -5.110 10.120 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.113 -7.391 9.541 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.692 -7.653 8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.918 -8.652 10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.639 -7.075 11.185 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.184 -7.479 13.053 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.410 -6.259 12.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.166 -8.429 12.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.742 -7.645 11.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.727 -9.028 11.443 1.00 0.00 H new ATOM 1161 N ILE A 77 4.127 -6.890 6.598 1.00 0.00 N ATOM 1162 CA ILE A 77 3.066 -7.678 5.983 1.00 0.00 C ATOM 1163 C ILE A 77 3.078 -9.113 6.499 1.00 0.00 C ATOM 1164 O ILE A 77 4.105 -9.789 6.458 1.00 0.00 O ATOM 1165 CB ILE A 77 3.193 -7.694 4.449 1.00 0.00 C ATOM 1166 CG1 ILE A 77 3.026 -6.281 3.886 1.00 0.00 C ATOM 1167 CG2 ILE A 77 2.165 -8.637 3.842 1.00 0.00 C ATOM 1168 CD1 ILE A 77 3.405 -6.164 2.426 1.00 0.00 C ATOM 0 H ILE A 77 5.070 -7.170 6.329 1.00 0.00 H new ATOM 0 HA ILE A 77 2.123 -7.204 6.255 1.00 0.00 H new ATOM 0 HB ILE A 77 4.188 -8.054 4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.989 -5.969 4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.638 -5.592 4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.268 -8.637 2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.327 -9.646 4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.163 -8.305 4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.262 -5.136 2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.451 -6.444 2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.776 -6.828 1.833 1.00 0.00 H new ATOM 1180 N MET A 78 1.928 -9.572 6.982 1.00 0.00 N ATOM 1181 CA MET A 78 1.806 -10.929 7.503 1.00 0.00 C ATOM 1182 C MET A 78 1.064 -11.825 6.517 1.00 0.00 C ATOM 1183 O MET A 78 0.084 -11.408 5.899 1.00 0.00 O ATOM 1184 CB MET A 78 1.077 -10.918 8.848 1.00 0.00 C ATOM 1185 CG MET A 78 1.572 -9.840 9.799 1.00 0.00 C ATOM 1186 SD MET A 78 1.382 -10.302 11.532 1.00 0.00 S ATOM 1187 CE MET A 78 -0.305 -9.783 11.837 1.00 0.00 C ATOM 0 H MET A 78 1.068 -9.025 7.024 1.00 0.00 H new ATOM 0 HA MET A 78 2.810 -11.329 7.645 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.011 -10.775 8.673 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.194 -11.892 9.323 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.623 -9.635 9.595 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.025 -8.916 9.611 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.662 -10.232 12.764 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.342 -8.697 11.922 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.939 -10.104 11.011 1.00 0.00 H new ATOM 1197 N THR A 79 1.538 -13.058 6.372 1.00 0.00 N ATOM 1198 CA THR A 79 0.921 -14.013 5.460 1.00 0.00 C ATOM 1199 C THR A 79 0.369 -15.217 6.214 1.00 0.00 C ATOM 1200 O THR A 79 1.005 -15.730 7.134 1.00 0.00 O ATOM 1201 CB THR A 79 1.923 -14.502 4.397 1.00 0.00 C ATOM 1202 OG1 THR A 79 3.228 -14.624 4.973 1.00 0.00 O ATOM 1203 CG2 THR A 79 1.971 -13.544 3.217 1.00 0.00 C ATOM 0 H THR A 79 2.348 -13.419 6.875 1.00 0.00 H new ATOM 0 HA THR A 79 0.102 -13.492 4.964 1.00 0.00 H new ATOM 0 HB THR A 79 1.592 -15.477 4.039 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.859 -14.937 4.291 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.685 -13.910 2.480 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.983 -13.477 2.762 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.280 -12.557 3.562 1.00 0.00 H new ATOM 1211 N ALA A 80 -0.819 -15.663 5.819 1.00 0.00 N ATOM 1212 CA ALA A 80 -1.455 -16.809 6.456 1.00 0.00 C ATOM 1213 C ALA A 80 -2.433 -17.493 5.507 1.00 0.00 C ATOM 1214 O ALA A 80 -3.282 -16.840 4.901 1.00 0.00 O ATOM 1215 CB ALA A 80 -2.167 -16.377 7.729 1.00 0.00 C ATOM 0 H ALA A 80 -1.360 -15.248 5.061 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.677 -17.528 6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.638 -17.243 8.194 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.445 -15.941 8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.929 -15.637 7.486 1.00 0.00 H new ATOM 1221 N GLU A 81 -2.307 -18.810 5.382 1.00 0.00 N ATOM 1222 CA GLU A 81 -3.180 -19.581 4.504 1.00 0.00 C ATOM 1223 C GLU A 81 -3.011 -19.146 3.051 1.00 0.00 C ATOM 1224 O GLU A 81 -3.918 -19.306 2.235 1.00 0.00 O ATOM 1225 CB GLU A 81 -4.640 -19.418 4.930 1.00 0.00 C ATOM 1226 CG GLU A 81 -4.839 -19.422 6.436 1.00 0.00 C ATOM 1227 CD GLU A 81 -4.555 -20.775 7.059 1.00 0.00 C ATOM 1228 OE1 GLU A 81 -3.393 -21.228 6.988 1.00 0.00 O ATOM 1229 OE2 GLU A 81 -5.494 -21.382 7.616 1.00 0.00 O ATOM 0 H GLU A 81 -1.609 -19.365 5.877 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.900 -20.631 4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.026 -18.483 4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.229 -20.223 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.186 -18.675 6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.864 -19.129 6.664 1.00 0.00 H new ATOM 1236 N GLY A 82 -1.843 -18.594 2.736 1.00 0.00 N ATOM 1237 CA GLY A 82 -1.576 -18.144 1.382 1.00 0.00 C ATOM 1238 C GLY A 82 -2.127 -16.758 1.113 1.00 0.00 C ATOM 1239 O GLY A 82 -2.150 -16.302 -0.031 1.00 0.00 O ATOM 0 H GLY A 82 -1.077 -18.450 3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.500 -18.144 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.013 -18.849 0.675 1.00 0.00 H new ATOM 1243 N LEU A 83 -2.575 -16.086 2.168 1.00 0.00 N ATOM 1244 CA LEU A 83 -3.131 -14.743 2.040 1.00 0.00 C ATOM 1245 C LEU A 83 -2.134 -13.693 2.521 1.00 0.00 C ATOM 1246 O LEU A 83 -1.204 -14.000 3.266 1.00 0.00 O ATOM 1247 CB LEU A 83 -4.431 -14.630 2.837 1.00 0.00 C ATOM 1248 CG LEU A 83 -5.506 -15.670 2.518 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.397 -15.906 3.728 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -6.336 -15.229 1.321 1.00 0.00 C ATOM 0 H LEU A 83 -2.564 -16.449 3.121 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.341 -14.562 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.191 -14.699 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.852 -13.639 2.669 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.012 -16.609 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.156 -16.649 3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.792 -16.267 4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.882 -14.972 4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.096 -15.981 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.819 -14.278 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.688 -15.112 0.452 1.00 0.00 H new ATOM 1262 N TYR A 84 -2.336 -12.453 2.090 1.00 0.00 N ATOM 1263 CA TYR A 84 -1.455 -11.357 2.476 1.00 0.00 C ATOM 1264 C TYR A 84 -2.212 -10.307 3.282 1.00 0.00 C ATOM 1265 O TYR A 84 -3.245 -9.798 2.845 1.00 0.00 O ATOM 1266 CB TYR A 84 -0.834 -10.713 1.235 1.00 0.00 C ATOM 1267 CG TYR A 84 0.138 -11.614 0.507 1.00 0.00 C ATOM 1268 CD1 TYR A 84 -0.314 -12.581 -0.382 1.00 0.00 C ATOM 1269 CD2 TYR A 84 1.508 -11.499 0.710 1.00 0.00 C ATOM 1270 CE1 TYR A 84 0.571 -13.407 -1.049 1.00 0.00 C ATOM 1271 CE2 TYR A 84 2.399 -12.320 0.046 1.00 0.00 C ATOM 1272 CZ TYR A 84 1.926 -13.272 -0.832 1.00 0.00 C ATOM 1273 OH TYR A 84 2.811 -14.092 -1.494 1.00 0.00 O ATOM 0 H TYR A 84 -3.102 -12.182 1.473 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.661 -11.766 3.101 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.630 -10.423 0.550 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.318 -9.799 1.530 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.375 -12.689 -0.555 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.882 -10.756 1.398 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.203 -14.154 -1.737 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.461 -12.217 0.214 1.00 0.00 H new ATOM 0 HH TYR A 84 3.727 -13.866 -1.229 1.00 0.00 H new ATOM 1283 N ARG A 85 -1.692 -9.987 4.462 1.00 0.00 N ATOM 1284 CA ARG A 85 -2.318 -8.998 5.331 1.00 0.00 C ATOM 1285 C ARG A 85 -1.330 -8.489 6.377 1.00 0.00 C ATOM 1286 O ARG A 85 -0.607 -9.272 6.994 1.00 0.00 O ATOM 1287 CB ARG A 85 -3.544 -9.599 6.023 1.00 0.00 C ATOM 1288 CG ARG A 85 -3.274 -10.941 6.683 1.00 0.00 C ATOM 1289 CD ARG A 85 -4.404 -11.339 7.619 1.00 0.00 C ATOM 1290 NE ARG A 85 -4.206 -12.673 8.180 1.00 0.00 N ATOM 1291 CZ ARG A 85 -3.326 -12.943 9.138 1.00 0.00 C ATOM 1292 NH1 ARG A 85 -2.568 -11.978 9.639 1.00 0.00 N ATOM 1293 NH2 ARG A 85 -3.204 -14.182 9.598 1.00 0.00 N ATOM 0 H ARG A 85 -0.838 -10.399 4.839 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.633 -8.157 4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.905 -8.899 6.777 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.342 -9.718 5.290 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.149 -11.706 5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.339 -10.892 7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.477 -10.613 8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.350 -11.310 7.078 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.774 -13.438 7.817 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.659 -11.024 9.289 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.894 -12.189 10.374 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.786 -14.927 9.216 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.528 -14.389 10.333 1.00 0.00 H new ATOM 1307 N ILE A 86 -1.305 -7.175 6.569 1.00 0.00 N ATOM 1308 CA ILE A 86 -0.406 -6.562 7.539 1.00 0.00 C ATOM 1309 C ILE A 86 -0.952 -6.697 8.956 1.00 0.00 C ATOM 1310 O ILE A 86 -0.227 -6.512 9.934 1.00 0.00 O ATOM 1311 CB ILE A 86 -0.175 -5.071 7.230 1.00 0.00 C ATOM 1312 CG1 ILE A 86 -1.456 -4.272 7.477 1.00 0.00 C ATOM 1313 CG2 ILE A 86 0.297 -4.895 5.794 1.00 0.00 C ATOM 1314 CD1 ILE A 86 -1.204 -2.854 7.938 1.00 0.00 C ATOM 0 H ILE A 86 -1.897 -6.514 6.066 1.00 0.00 H new ATOM 0 HA ILE A 86 0.544 -7.091 7.466 1.00 0.00 H new ATOM 0 HB ILE A 86 0.601 -4.693 7.896 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.042 -4.248 6.559 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.057 -4.787 8.226 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.456 -3.836 5.590 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.232 -5.437 5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.458 -5.286 5.112 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.156 -2.347 8.093 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.644 -2.869 8.873 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.629 -2.322 7.180 1.00 0.00 H new ATOM 1326 N THR A 87 -2.237 -7.022 9.061 1.00 0.00 N ATOM 1327 CA THR A 87 -2.882 -7.183 10.358 1.00 0.00 C ATOM 1328 C THR A 87 -3.910 -8.308 10.325 1.00 0.00 C ATOM 1329 O THR A 87 -4.494 -8.596 9.281 1.00 0.00 O ATOM 1330 CB THR A 87 -3.574 -5.882 10.806 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.274 -6.098 12.037 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.547 -5.393 9.743 1.00 0.00 C ATOM 0 H THR A 87 -2.852 -7.179 8.262 1.00 0.00 H new ATOM 0 HA THR A 87 -2.098 -7.433 11.073 1.00 0.00 H new ATOM 0 HB THR A 87 -2.808 -5.121 10.953 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.294 -5.265 12.552 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.024 -4.473 10.082 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.007 -5.202 8.816 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.308 -6.153 9.569 1.00 0.00 H new ATOM 1340 N GLU A 88 -4.128 -8.938 11.475 1.00 0.00 N ATOM 1341 CA GLU A 88 -5.087 -10.032 11.576 1.00 0.00 C ATOM 1342 C GLU A 88 -6.516 -9.500 11.622 1.00 0.00 C ATOM 1343 O GLU A 88 -7.324 -9.926 12.447 1.00 0.00 O ATOM 1344 CB GLU A 88 -4.805 -10.874 12.822 1.00 0.00 C ATOM 1345 CG GLU A 88 -5.022 -10.124 14.126 1.00 0.00 C ATOM 1346 CD GLU A 88 -3.788 -9.366 14.576 1.00 0.00 C ATOM 1347 OE1 GLU A 88 -2.715 -9.993 14.690 1.00 0.00 O ATOM 1348 OE2 GLU A 88 -3.897 -8.144 14.814 1.00 0.00 O ATOM 0 H GLU A 88 -3.654 -8.710 12.349 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.979 -10.659 10.691 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.447 -11.755 12.808 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.775 -11.230 12.784 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.849 -9.425 14.005 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.313 -10.831 14.903 1.00 0.00 H new ATOM 1355 N LYS A 89 -6.821 -8.564 10.729 1.00 0.00 N ATOM 1356 CA LYS A 89 -8.152 -7.972 10.665 1.00 0.00 C ATOM 1357 C LYS A 89 -8.858 -8.358 9.369 1.00 0.00 C ATOM 1358 O LYS A 89 -10.072 -8.563 9.348 1.00 0.00 O ATOM 1359 CB LYS A 89 -8.061 -6.448 10.774 1.00 0.00 C ATOM 1360 CG LYS A 89 -8.093 -5.937 12.203 1.00 0.00 C ATOM 1361 CD LYS A 89 -8.793 -4.591 12.299 1.00 0.00 C ATOM 1362 CE LYS A 89 -7.935 -3.475 11.722 1.00 0.00 C ATOM 1363 NZ LYS A 89 -6.663 -3.307 12.478 1.00 0.00 N ATOM 0 H LYS A 89 -6.164 -8.199 10.039 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.733 -8.356 11.503 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.140 -6.113 10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.887 -6.003 10.219 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.605 -6.660 12.838 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.075 -5.846 12.581 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.743 -4.634 11.766 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.023 -4.373 13.342 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.711 -3.692 10.678 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.495 -2.540 11.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.577 -2.321 12.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.664 -3.939 13.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.859 -3.543 11.862 1.00 0.00 H new ATOM 1377 N LYS A 90 -8.089 -8.458 8.289 1.00 0.00 N ATOM 1378 CA LYS A 90 -8.639 -8.823 6.989 1.00 0.00 C ATOM 1379 C LYS A 90 -7.546 -9.346 6.063 1.00 0.00 C ATOM 1380 O LYS A 90 -6.509 -8.706 5.889 1.00 0.00 O ATOM 1381 CB LYS A 90 -9.331 -7.618 6.349 1.00 0.00 C ATOM 1382 CG LYS A 90 -9.753 -7.853 4.909 1.00 0.00 C ATOM 1383 CD LYS A 90 -11.138 -8.472 4.827 1.00 0.00 C ATOM 1384 CE LYS A 90 -11.844 -8.088 3.536 1.00 0.00 C ATOM 1385 NZ LYS A 90 -13.095 -8.871 3.333 1.00 0.00 N ATOM 0 H LYS A 90 -7.083 -8.291 8.289 1.00 0.00 H new ATOM 0 HA LYS A 90 -9.371 -9.616 7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.210 -7.359 6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.658 -6.761 6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.744 -6.907 4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.032 -8.507 4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.057 -9.557 4.890 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.734 -8.147 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.081 -7.024 3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.173 -8.251 2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.546 -8.580 2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.867 -9.885 3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.746 -8.696 4.125 1.00 0.00 H new ATOM 1399 N ALA A 91 -7.785 -10.512 5.472 1.00 0.00 N ATOM 1400 CA ALA A 91 -6.822 -11.118 4.561 1.00 0.00 C ATOM 1401 C ALA A 91 -7.339 -11.105 3.126 1.00 0.00 C ATOM 1402 O ALA A 91 -8.547 -11.149 2.891 1.00 0.00 O ATOM 1403 CB ALA A 91 -6.507 -12.541 4.997 1.00 0.00 C ATOM 0 H ALA A 91 -8.637 -11.056 5.608 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.906 -10.528 4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.787 -12.982 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.087 -12.529 6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.422 -13.134 4.993 1.00 0.00 H new ATOM 1409 N PHE A 92 -6.418 -11.043 2.171 1.00 0.00 N ATOM 1410 CA PHE A 92 -6.782 -11.022 0.759 1.00 0.00 C ATOM 1411 C PHE A 92 -6.000 -12.077 -0.020 1.00 0.00 C ATOM 1412 O PHE A 92 -4.985 -12.588 0.454 1.00 0.00 O ATOM 1413 CB PHE A 92 -6.523 -9.637 0.164 1.00 0.00 C ATOM 1414 CG PHE A 92 -7.163 -8.522 0.941 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -6.709 -8.194 2.208 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -8.217 -7.801 0.403 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -7.297 -7.169 2.925 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -8.809 -6.775 1.116 1.00 0.00 C ATOM 1419 CZ PHE A 92 -8.347 -6.458 2.378 1.00 0.00 C ATOM 0 H PHE A 92 -5.414 -11.006 2.349 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.845 -11.251 0.680 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.448 -9.466 0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.894 -9.615 -0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.887 -8.745 2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.580 -8.043 -0.585 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.935 -6.924 3.913 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.632 -6.222 0.687 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.806 -5.655 2.936 1.00 0.00 H new ATOM 1429 N ARG A 93 -6.481 -12.397 -1.217 1.00 0.00 N ATOM 1430 CA ARG A 93 -5.829 -13.391 -2.061 1.00 0.00 C ATOM 1431 C ARG A 93 -4.366 -13.027 -2.299 1.00 0.00 C ATOM 1432 O ARG A 93 -3.482 -13.879 -2.213 1.00 0.00 O ATOM 1433 CB ARG A 93 -6.559 -13.513 -3.399 1.00 0.00 C ATOM 1434 CG ARG A 93 -8.040 -13.827 -3.259 1.00 0.00 C ATOM 1435 CD ARG A 93 -8.292 -15.327 -3.250 1.00 0.00 C ATOM 1436 NE ARG A 93 -9.635 -15.653 -2.778 1.00 0.00 N ATOM 1437 CZ ARG A 93 -10.739 -15.410 -3.477 1.00 0.00 C ATOM 1438 NH1 ARG A 93 -10.658 -14.843 -4.673 1.00 0.00 N ATOM 1439 NH2 ARG A 93 -11.925 -15.736 -2.981 1.00 0.00 N ATOM 0 H ARG A 93 -7.319 -11.983 -1.624 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.868 -14.350 -1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.445 -12.581 -3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.085 -14.295 -3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.421 -13.387 -2.337 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.590 -13.369 -4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.155 -15.724 -4.256 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.555 -15.815 -2.612 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.731 -16.091 -1.862 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -9.747 -14.593 -5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.506 -14.657 -5.208 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.991 -16.174 -2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.771 -15.549 -3.518 1.00 0.00 H new ATOM 1453 N GLY A 94 -4.119 -11.756 -2.599 1.00 0.00 N ATOM 1454 CA GLY A 94 -2.762 -11.302 -2.845 1.00 0.00 C ATOM 1455 C GLY A 94 -2.584 -9.824 -2.557 1.00 0.00 C ATOM 1456 O GLY A 94 -3.539 -9.134 -2.198 1.00 0.00 O ATOM 0 H GLY A 94 -4.834 -11.032 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.072 -11.875 -2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.498 -11.501 -3.884 1.00 0.00 H new ATOM 1460 N LEU A 95 -1.358 -9.337 -2.713 1.00 0.00 N ATOM 1461 CA LEU A 95 -1.057 -7.931 -2.465 1.00 0.00 C ATOM 1462 C LEU A 95 -2.030 -7.026 -3.213 1.00 0.00 C ATOM 1463 O LEU A 95 -2.730 -6.213 -2.608 1.00 0.00 O ATOM 1464 CB LEU A 95 0.379 -7.615 -2.887 1.00 0.00 C ATOM 1465 CG LEU A 95 1.456 -7.842 -1.826 1.00 0.00 C ATOM 1466 CD1 LEU A 95 1.497 -6.678 -0.849 1.00 0.00 C ATOM 1467 CD2 LEU A 95 1.211 -9.151 -1.089 1.00 0.00 C ATOM 0 H LEU A 95 -0.557 -9.894 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.165 -7.744 -1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.622 -8.223 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.423 -6.573 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 95 2.423 -7.904 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.270 -6.858 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.721 -5.758 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.530 -6.583 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.987 -9.296 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.236 -9.118 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.234 -9.978 -1.799 1.00 0.00 H new ATOM 1479 N THR A 96 -2.071 -7.172 -4.534 1.00 0.00 N ATOM 1480 CA THR A 96 -2.959 -6.369 -5.365 1.00 0.00 C ATOM 1481 C THR A 96 -4.251 -6.037 -4.627 1.00 0.00 C ATOM 1482 O THR A 96 -4.699 -4.891 -4.628 1.00 0.00 O ATOM 1483 CB THR A 96 -3.304 -7.092 -6.680 1.00 0.00 C ATOM 1484 OG1 THR A 96 -2.117 -7.641 -7.264 1.00 0.00 O ATOM 1485 CG2 THR A 96 -3.965 -6.139 -7.665 1.00 0.00 C ATOM 0 H THR A 96 -1.499 -7.840 -5.051 1.00 0.00 H new ATOM 0 HA THR A 96 -2.427 -5.446 -5.595 1.00 0.00 H new ATOM 0 HB THR A 96 -4.003 -7.897 -6.453 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.432 -6.943 -7.331 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.199 -6.673 -8.586 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.884 -5.745 -7.230 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.286 -5.315 -7.886 1.00 0.00 H new ATOM 1493 N GLU A 97 -4.845 -7.046 -3.998 1.00 0.00 N ATOM 1494 CA GLU A 97 -6.087 -6.859 -3.257 1.00 0.00 C ATOM 1495 C GLU A 97 -5.828 -6.143 -1.934 1.00 0.00 C ATOM 1496 O GLU A 97 -6.338 -5.047 -1.698 1.00 0.00 O ATOM 1497 CB GLU A 97 -6.759 -8.208 -2.996 1.00 0.00 C ATOM 1498 CG GLU A 97 -7.246 -8.900 -4.258 1.00 0.00 C ATOM 1499 CD GLU A 97 -8.538 -8.308 -4.786 1.00 0.00 C ATOM 1500 OE1 GLU A 97 -9.371 -7.875 -3.964 1.00 0.00 O ATOM 1501 OE2 GLU A 97 -8.715 -8.278 -6.022 1.00 0.00 O ATOM 0 H GLU A 97 -4.487 -8.001 -3.987 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.751 -6.241 -3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.054 -8.862 -2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.604 -8.059 -2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.477 -8.828 -5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.394 -9.960 -4.053 1.00 0.00 H new ATOM 1508 N LEU A 98 -5.032 -6.770 -1.075 1.00 0.00 N ATOM 1509 CA LEU A 98 -4.705 -6.195 0.225 1.00 0.00 C ATOM 1510 C LEU A 98 -4.470 -4.692 0.112 1.00 0.00 C ATOM 1511 O LEU A 98 -5.026 -3.906 0.880 1.00 0.00 O ATOM 1512 CB LEU A 98 -3.463 -6.873 0.807 1.00 0.00 C ATOM 1513 CG LEU A 98 -2.981 -6.344 2.158 1.00 0.00 C ATOM 1514 CD1 LEU A 98 -1.969 -5.226 1.964 1.00 0.00 C ATOM 1515 CD2 LEU A 98 -4.158 -5.861 2.993 1.00 0.00 C ATOM 0 H LEU A 98 -4.601 -7.677 -1.255 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.551 -6.364 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.669 -7.938 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.649 -6.773 0.089 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.493 -7.159 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.638 -4.862 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.112 -5.604 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.431 -4.409 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.796 -5.488 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.675 -5.060 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.847 -6.688 3.163 1.00 0.00 H new ATOM 1527 N VAL A 99 -3.645 -4.298 -0.853 1.00 0.00 N ATOM 1528 CA VAL A 99 -3.340 -2.889 -1.070 1.00 0.00 C ATOM 1529 C VAL A 99 -4.580 -2.119 -1.511 1.00 0.00 C ATOM 1530 O VAL A 99 -4.845 -1.020 -1.026 1.00 0.00 O ATOM 1531 CB VAL A 99 -2.235 -2.710 -2.128 1.00 0.00 C ATOM 1532 CG1 VAL A 99 -1.917 -1.236 -2.325 1.00 0.00 C ATOM 1533 CG2 VAL A 99 -0.987 -3.484 -1.731 1.00 0.00 C ATOM 0 H VAL A 99 -3.176 -4.935 -1.497 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.989 -2.492 -0.118 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.596 -3.109 -3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.134 -1.130 -3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.813 -0.712 -2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.576 -0.808 -1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.217 -3.346 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.621 -3.117 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.228 -4.544 -1.647 1.00 0.00 H new ATOM 1543 N GLU A 100 -5.337 -2.705 -2.433 1.00 0.00 N ATOM 1544 CA GLU A 100 -6.549 -2.074 -2.940 1.00 0.00 C ATOM 1545 C GLU A 100 -7.447 -1.620 -1.792 1.00 0.00 C ATOM 1546 O GLU A 100 -7.960 -0.501 -1.795 1.00 0.00 O ATOM 1547 CB GLU A 100 -7.313 -3.040 -3.848 1.00 0.00 C ATOM 1548 CG GLU A 100 -6.977 -2.884 -5.321 1.00 0.00 C ATOM 1549 CD GLU A 100 -8.154 -3.200 -6.225 1.00 0.00 C ATOM 1550 OE1 GLU A 100 -8.579 -4.373 -6.255 1.00 0.00 O ATOM 1551 OE2 GLU A 100 -8.648 -2.274 -6.901 1.00 0.00 O ATOM 0 H GLU A 100 -5.132 -3.616 -2.844 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.257 -1.198 -3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.096 -4.063 -3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.383 -2.886 -3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.644 -1.863 -5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.144 -3.541 -5.572 1.00 0.00 H new ATOM 1558 N PHE A 101 -7.632 -2.498 -0.811 1.00 0.00 N ATOM 1559 CA PHE A 101 -8.468 -2.190 0.343 1.00 0.00 C ATOM 1560 C PHE A 101 -7.901 -1.010 1.126 1.00 0.00 C ATOM 1561 O PHE A 101 -8.632 -0.096 1.509 1.00 0.00 O ATOM 1562 CB PHE A 101 -8.586 -3.413 1.255 1.00 0.00 C ATOM 1563 CG PHE A 101 -9.583 -3.239 2.365 1.00 0.00 C ATOM 1564 CD1 PHE A 101 -9.275 -2.469 3.476 1.00 0.00 C ATOM 1565 CD2 PHE A 101 -10.827 -3.844 2.298 1.00 0.00 C ATOM 1566 CE1 PHE A 101 -10.190 -2.308 4.499 1.00 0.00 C ATOM 1567 CE2 PHE A 101 -11.747 -3.686 3.318 1.00 0.00 C ATOM 1568 CZ PHE A 101 -11.428 -2.916 4.420 1.00 0.00 C ATOM 0 H PHE A 101 -7.214 -3.428 -0.793 1.00 0.00 H new ATOM 0 HA PHE A 101 -9.460 -1.919 -0.020 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.869 -4.278 0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.609 -3.631 1.686 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -8.309 -1.990 3.543 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -11.082 -4.447 1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.937 -1.707 5.360 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -12.713 -4.164 3.253 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.145 -2.790 5.218 1.00 0.00 H new ATOM 1578 N TYR A 102 -6.594 -1.038 1.362 1.00 0.00 N ATOM 1579 CA TYR A 102 -5.928 0.027 2.102 1.00 0.00 C ATOM 1580 C TYR A 102 -5.905 1.321 1.293 1.00 0.00 C ATOM 1581 O TYR A 102 -5.764 2.410 1.849 1.00 0.00 O ATOM 1582 CB TYR A 102 -4.500 -0.388 2.461 1.00 0.00 C ATOM 1583 CG TYR A 102 -4.427 -1.374 3.605 1.00 0.00 C ATOM 1584 CD1 TYR A 102 -5.223 -1.222 4.733 1.00 0.00 C ATOM 1585 CD2 TYR A 102 -3.561 -2.460 3.557 1.00 0.00 C ATOM 1586 CE1 TYR A 102 -5.159 -2.120 5.780 1.00 0.00 C ATOM 1587 CE2 TYR A 102 -3.490 -3.364 4.599 1.00 0.00 C ATOM 1588 CZ TYR A 102 -4.291 -3.190 5.709 1.00 0.00 C ATOM 1589 OH TYR A 102 -4.224 -4.088 6.749 1.00 0.00 O ATOM 0 H TYR A 102 -5.975 -1.787 1.051 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.490 0.203 3.019 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.026 -0.827 1.583 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.926 0.502 2.722 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.904 -0.386 4.792 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.933 -2.600 2.690 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.785 -1.985 6.650 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.811 -4.202 4.545 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.301 -5.000 6.399 1.00 0.00 H new ATOM 1599 N GLN A 103 -6.045 1.191 -0.022 1.00 0.00 N ATOM 1600 CA GLN A 103 -6.040 2.349 -0.908 1.00 0.00 C ATOM 1601 C GLN A 103 -7.298 3.189 -0.714 1.00 0.00 C ATOM 1602 O GLN A 103 -7.389 4.310 -1.213 1.00 0.00 O ATOM 1603 CB GLN A 103 -5.932 1.901 -2.367 1.00 0.00 C ATOM 1604 CG GLN A 103 -4.508 1.604 -2.809 1.00 0.00 C ATOM 1605 CD GLN A 103 -4.431 1.111 -4.240 1.00 0.00 C ATOM 1606 OE1 GLN A 103 -5.370 0.498 -4.749 1.00 0.00 O ATOM 1607 NE2 GLN A 103 -3.310 1.378 -4.899 1.00 0.00 N ATOM 0 H GLN A 103 -6.163 0.296 -0.497 1.00 0.00 H new ATOM 0 HA GLN A 103 -5.174 2.962 -0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.542 1.009 -2.510 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.348 2.678 -3.009 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -3.905 2.506 -2.707 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.075 0.854 -2.147 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.557 1.889 -4.438 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.202 1.072 -5.866 1.00 0.00 H new ATOM 1616 N GLN A 104 -8.264 2.638 0.014 1.00 0.00 N ATOM 1617 CA GLN A 104 -9.517 3.337 0.273 1.00 0.00 C ATOM 1618 C GLN A 104 -9.692 3.607 1.764 1.00 0.00 C ATOM 1619 O GLN A 104 -10.479 4.464 2.162 1.00 0.00 O ATOM 1620 CB GLN A 104 -10.699 2.521 -0.252 1.00 0.00 C ATOM 1621 CG GLN A 104 -10.457 1.020 -0.236 1.00 0.00 C ATOM 1622 CD GLN A 104 -11.451 0.259 -1.090 1.00 0.00 C ATOM 1623 OE1 GLN A 104 -12.618 0.640 -1.193 1.00 0.00 O ATOM 1624 NE2 GLN A 104 -10.994 -0.823 -1.709 1.00 0.00 N ATOM 0 H GLN A 104 -8.203 1.711 0.434 1.00 0.00 H new ATOM 0 HA GLN A 104 -9.485 4.293 -0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -11.580 2.745 0.349 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -10.921 2.834 -1.272 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -9.447 0.815 -0.591 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -10.514 0.658 0.790 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -10.020 -1.102 -1.595 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -11.617 -1.375 -2.298 1.00 0.00 H new ATOM 1633 N ASN A 105 -8.953 2.867 2.585 1.00 0.00 N ATOM 1634 CA ASN A 105 -9.028 3.025 4.033 1.00 0.00 C ATOM 1635 C ASN A 105 -7.655 3.346 4.616 1.00 0.00 C ATOM 1636 O ASN A 105 -6.631 2.888 4.109 1.00 0.00 O ATOM 1637 CB ASN A 105 -9.584 1.754 4.678 1.00 0.00 C ATOM 1638 CG ASN A 105 -10.935 1.362 4.110 1.00 0.00 C ATOM 1639 OD1 ASN A 105 -11.977 1.690 4.677 1.00 0.00 O ATOM 1640 ND2 ASN A 105 -10.921 0.655 2.986 1.00 0.00 N ATOM 0 H ASN A 105 -8.296 2.152 2.272 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.699 3.857 4.249 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.879 0.936 4.530 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.675 1.905 5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -11.799 0.361 2.557 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -10.033 0.406 2.551 1.00 0.00 H new ATOM 1647 N SER A 106 -7.642 4.135 5.686 1.00 0.00 N ATOM 1648 CA SER A 106 -6.395 4.520 6.337 1.00 0.00 C ATOM 1649 C SER A 106 -5.691 3.301 6.926 1.00 0.00 C ATOM 1650 O SER A 106 -6.337 2.345 7.358 1.00 0.00 O ATOM 1651 CB SER A 106 -6.666 5.547 7.438 1.00 0.00 C ATOM 1652 OG SER A 106 -6.754 6.857 6.902 1.00 0.00 O ATOM 0 H SER A 106 -8.481 4.520 6.120 1.00 0.00 H new ATOM 0 HA SER A 106 -5.744 4.966 5.585 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.594 5.298 7.952 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.870 5.507 8.181 1.00 0.00 H new ATOM 0 HG SER A 106 -6.929 7.495 7.625 1.00 0.00 H new ATOM 1658 N LEU A 107 -4.364 3.342 6.940 1.00 0.00 N ATOM 1659 CA LEU A 107 -3.570 2.242 7.475 1.00 0.00 C ATOM 1660 C LEU A 107 -3.556 2.272 9.000 1.00 0.00 C ATOM 1661 O LEU A 107 -3.141 1.310 9.648 1.00 0.00 O ATOM 1662 CB LEU A 107 -2.139 2.311 6.940 1.00 0.00 C ATOM 1663 CG LEU A 107 -1.914 1.725 5.546 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -1.602 0.239 5.636 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -3.131 1.963 4.664 1.00 0.00 C ATOM 0 H LEU A 107 -3.815 4.126 6.587 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.027 1.307 7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.827 3.355 6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.485 1.791 7.640 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.059 2.229 5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.445 -0.161 4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.701 0.092 6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.437 -0.280 6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.953 1.539 3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.003 1.486 5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.310 3.034 4.572 1.00 0.00 H new ATOM 1677 N LYS A 108 -4.015 3.381 9.569 1.00 0.00 N ATOM 1678 CA LYS A 108 -4.060 3.537 11.018 1.00 0.00 C ATOM 1679 C LYS A 108 -4.537 2.252 11.689 1.00 0.00 C ATOM 1680 O LYS A 108 -4.058 1.886 12.762 1.00 0.00 O ATOM 1681 CB LYS A 108 -4.983 4.697 11.399 1.00 0.00 C ATOM 1682 CG LYS A 108 -6.460 4.363 11.280 1.00 0.00 C ATOM 1683 CD LYS A 108 -7.329 5.589 11.502 1.00 0.00 C ATOM 1684 CE LYS A 108 -8.809 5.247 11.419 1.00 0.00 C ATOM 1685 NZ LYS A 108 -9.663 6.344 11.953 1.00 0.00 N ATOM 0 H LYS A 108 -4.362 4.186 9.048 1.00 0.00 H new ATOM 0 HA LYS A 108 -3.050 3.755 11.366 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -4.769 4.999 12.424 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.760 5.552 10.761 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.661 3.947 10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.720 3.595 12.008 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.109 6.020 12.478 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -7.087 6.347 10.757 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.078 5.049 10.381 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.002 4.332 11.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.664 6.072 11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.424 6.516 12.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.498 7.211 11.403 1.00 0.00 H new ATOM 1699 N ASP A 109 -5.481 1.572 11.049 1.00 0.00 N ATOM 1700 CA ASP A 109 -6.021 0.327 11.582 1.00 0.00 C ATOM 1701 C ASP A 109 -4.924 -0.501 12.245 1.00 0.00 C ATOM 1702 O ASP A 109 -5.137 -1.101 13.299 1.00 0.00 O ATOM 1703 CB ASP A 109 -6.687 -0.484 10.469 1.00 0.00 C ATOM 1704 CG ASP A 109 -5.749 -0.756 9.310 1.00 0.00 C ATOM 1705 OD1 ASP A 109 -5.209 0.217 8.744 1.00 0.00 O ATOM 1706 OD2 ASP A 109 -5.555 -1.942 8.969 1.00 0.00 O ATOM 0 H ASP A 109 -5.888 1.862 10.160 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.768 0.577 12.335 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -7.041 -1.431 10.876 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -7.562 0.054 10.105 1.00 0.00 H new ATOM 1711 N CYS A 110 -3.753 -0.530 11.619 1.00 0.00 N ATOM 1712 CA CYS A 110 -2.623 -1.286 12.147 1.00 0.00 C ATOM 1713 C CYS A 110 -1.700 -0.387 12.963 1.00 0.00 C ATOM 1714 O CYS A 110 -1.098 -0.824 13.944 1.00 0.00 O ATOM 1715 CB CYS A 110 -1.840 -1.937 11.005 1.00 0.00 C ATOM 1716 SG CYS A 110 -0.827 -3.346 11.514 1.00 0.00 S ATOM 0 H CYS A 110 -3.561 -0.039 10.746 1.00 0.00 H new ATOM 0 HA CYS A 110 -3.014 -2.065 12.802 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -2.542 -2.266 10.239 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.196 -1.187 10.546 1.00 0.00 H new ATOM 0 HG CYS A 110 -0.379 -3.146 12.718 1.00 0.00 H new ATOM 1722 N PHE A 111 -1.594 0.872 12.551 1.00 0.00 N ATOM 1723 CA PHE A 111 -0.743 1.833 13.243 1.00 0.00 C ATOM 1724 C PHE A 111 -1.494 3.135 13.505 1.00 0.00 C ATOM 1725 O PHE A 111 -1.342 4.112 12.771 1.00 0.00 O ATOM 1726 CB PHE A 111 0.517 2.115 12.422 1.00 0.00 C ATOM 1727 CG PHE A 111 1.338 0.888 12.144 1.00 0.00 C ATOM 1728 CD1 PHE A 111 2.212 0.393 13.099 1.00 0.00 C ATOM 1729 CD2 PHE A 111 1.236 0.230 10.930 1.00 0.00 C ATOM 1730 CE1 PHE A 111 2.970 -0.735 12.846 1.00 0.00 C ATOM 1731 CE2 PHE A 111 1.991 -0.899 10.671 1.00 0.00 C ATOM 1732 CZ PHE A 111 2.858 -1.383 11.631 1.00 0.00 C ATOM 0 H PHE A 111 -2.086 1.250 11.742 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.455 1.401 14.201 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.229 2.572 11.475 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.132 2.841 12.953 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.302 0.894 14.051 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.558 0.603 10.176 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.649 -1.109 13.598 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.903 -1.402 9.719 1.00 0.00 H new ATOM 0 HZ PHE A 111 3.447 -2.266 11.432 1.00 0.00 H new ATOM 1742 N LYS A 112 -2.306 3.142 14.556 1.00 0.00 N ATOM 1743 CA LYS A 112 -3.082 4.322 14.918 1.00 0.00 C ATOM 1744 C LYS A 112 -2.248 5.590 14.762 1.00 0.00 C ATOM 1745 O LYS A 112 -2.779 6.662 14.474 1.00 0.00 O ATOM 1746 CB LYS A 112 -3.586 4.205 16.358 1.00 0.00 C ATOM 1747 CG LYS A 112 -2.505 4.425 17.401 1.00 0.00 C ATOM 1748 CD LYS A 112 -1.815 3.124 17.772 1.00 0.00 C ATOM 1749 CE LYS A 112 -0.367 3.356 18.178 1.00 0.00 C ATOM 1750 NZ LYS A 112 0.403 2.083 18.239 1.00 0.00 N ATOM 0 H LYS A 112 -2.444 2.342 15.173 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.937 4.384 14.245 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -4.384 4.931 16.515 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.022 3.217 16.502 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.769 5.132 17.019 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.944 4.872 18.293 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.352 2.647 18.592 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -1.851 2.438 16.926 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.106 4.033 17.466 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.337 3.846 19.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.384 2.284 18.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.033 1.447 18.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.396 1.628 17.304 1.00 0.00 H new ATOM 1764 N SER A 113 -0.939 5.459 14.952 1.00 0.00 N ATOM 1765 CA SER A 113 -0.032 6.595 14.835 1.00 0.00 C ATOM 1766 C SER A 113 0.157 6.990 13.373 1.00 0.00 C ATOM 1767 O SER A 113 0.235 8.174 13.043 1.00 0.00 O ATOM 1768 CB SER A 113 1.322 6.260 15.464 1.00 0.00 C ATOM 1769 OG SER A 113 1.187 5.981 16.846 1.00 0.00 O ATOM 0 H SER A 113 -0.483 4.578 15.188 1.00 0.00 H new ATOM 0 HA SER A 113 -0.473 7.438 15.367 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.759 5.400 14.957 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.008 7.095 15.324 1.00 0.00 H new ATOM 0 HG SER A 113 2.066 5.768 17.224 1.00 0.00 H new ATOM 1775 N LEU A 114 0.230 5.990 12.502 1.00 0.00 N ATOM 1776 CA LEU A 114 0.410 6.232 11.074 1.00 0.00 C ATOM 1777 C LEU A 114 -0.924 6.165 10.338 1.00 0.00 C ATOM 1778 O LEU A 114 -1.396 5.084 9.984 1.00 0.00 O ATOM 1779 CB LEU A 114 1.383 5.210 10.483 1.00 0.00 C ATOM 1780 CG LEU A 114 1.591 5.278 8.969 1.00 0.00 C ATOM 1781 CD1 LEU A 114 1.944 6.695 8.542 1.00 0.00 C ATOM 1782 CD2 LEU A 114 2.675 4.303 8.535 1.00 0.00 C ATOM 0 H LEU A 114 0.167 5.005 12.759 1.00 0.00 H new ATOM 0 HA LEU A 114 0.823 7.233 10.949 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.351 5.337 10.969 1.00 0.00 H new ATOM 0 HB3 LEU A 114 1.028 4.211 10.736 1.00 0.00 H new ATOM 0 HG LEU A 114 0.659 4.994 8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.088 6.724 7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.134 7.371 8.818 1.00 0.00 H new ATOM 0 HD13 LEU A 114 2.862 7.007 9.039 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.809 4.365 7.455 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.612 4.555 9.032 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.382 3.289 8.806 1.00 0.00 H new ATOM 1794 N ASP A 115 -1.526 7.327 10.109 1.00 0.00 N ATOM 1795 CA ASP A 115 -2.805 7.401 9.412 1.00 0.00 C ATOM 1796 C ASP A 115 -2.607 7.812 7.956 1.00 0.00 C ATOM 1797 O ASP A 115 -2.867 8.956 7.582 1.00 0.00 O ATOM 1798 CB ASP A 115 -3.736 8.391 10.113 1.00 0.00 C ATOM 1799 CG ASP A 115 -3.720 8.233 11.621 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -2.721 8.642 12.250 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -4.706 7.702 12.172 1.00 0.00 O ATOM 0 H ASP A 115 -1.149 8.230 10.396 1.00 0.00 H new ATOM 0 HA ASP A 115 -3.260 6.411 9.432 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.441 9.408 9.854 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.753 8.251 9.747 1.00 0.00 H new ATOM 1806 N THR A 116 -2.144 6.872 7.138 1.00 0.00 N ATOM 1807 CA THR A 116 -1.909 7.137 5.725 1.00 0.00 C ATOM 1808 C THR A 116 -2.686 6.163 4.846 1.00 0.00 C ATOM 1809 O THR A 116 -3.483 5.364 5.340 1.00 0.00 O ATOM 1810 CB THR A 116 -0.412 7.043 5.377 1.00 0.00 C ATOM 1811 OG1 THR A 116 -0.189 7.507 4.041 1.00 0.00 O ATOM 1812 CG2 THR A 116 0.086 5.611 5.511 1.00 0.00 C ATOM 0 H THR A 116 -1.924 5.920 7.431 1.00 0.00 H new ATOM 0 HA THR A 116 -2.256 8.152 5.532 1.00 0.00 H new ATOM 0 HB THR A 116 0.141 7.671 6.076 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.013 8.471 4.055 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.146 5.569 5.260 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.058 5.270 6.536 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.473 4.966 4.833 1.00 0.00 H new ATOM 1820 N THR A 117 -2.449 6.233 3.540 1.00 0.00 N ATOM 1821 CA THR A 117 -3.126 5.357 2.592 1.00 0.00 C ATOM 1822 C THR A 117 -2.311 5.195 1.314 1.00 0.00 C ATOM 1823 O THR A 117 -1.650 6.132 0.864 1.00 0.00 O ATOM 1824 CB THR A 117 -4.524 5.895 2.231 1.00 0.00 C ATOM 1825 OG1 THR A 117 -4.491 7.323 2.140 1.00 0.00 O ATOM 1826 CG2 THR A 117 -5.551 5.472 3.270 1.00 0.00 C ATOM 0 H THR A 117 -1.793 6.888 3.114 1.00 0.00 H new ATOM 0 HA THR A 117 -3.232 4.387 3.077 1.00 0.00 H new ATOM 0 HB THR A 117 -4.812 5.477 1.267 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.383 7.657 1.909 1.00 0.00 H new ATOM 0 HG21 THR A 117 -6.530 5.863 2.994 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.595 4.384 3.316 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.265 5.865 4.246 1.00 0.00 H new ATOM 1834 N LEU A 118 -2.363 4.002 0.733 1.00 0.00 N ATOM 1835 CA LEU A 118 -1.629 3.716 -0.495 1.00 0.00 C ATOM 1836 C LEU A 118 -2.041 4.673 -1.610 1.00 0.00 C ATOM 1837 O LEU A 118 -3.043 4.453 -2.290 1.00 0.00 O ATOM 1838 CB LEU A 118 -1.871 2.271 -0.933 1.00 0.00 C ATOM 1839 CG LEU A 118 -1.354 1.187 0.014 1.00 0.00 C ATOM 1840 CD1 LEU A 118 0.126 1.389 0.300 1.00 0.00 C ATOM 1841 CD2 LEU A 118 -2.153 1.186 1.309 1.00 0.00 C ATOM 0 H LEU A 118 -2.906 3.217 1.092 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.567 3.855 -0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.943 2.128 -1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.406 2.125 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.481 0.218 -0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.476 0.608 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.687 1.340 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.277 2.364 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.772 0.409 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -2.058 2.156 1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.203 0.992 1.089 1.00 0.00 H new ATOM 1853 N GLN A 119 -1.259 5.732 -1.792 1.00 0.00 N ATOM 1854 CA GLN A 119 -1.543 6.721 -2.826 1.00 0.00 C ATOM 1855 C GLN A 119 -1.115 6.211 -4.199 1.00 0.00 C ATOM 1856 O GLN A 119 -1.951 5.841 -5.023 1.00 0.00 O ATOM 1857 CB GLN A 119 -0.829 8.037 -2.512 1.00 0.00 C ATOM 1858 CG GLN A 119 -0.961 8.469 -1.061 1.00 0.00 C ATOM 1859 CD GLN A 119 -0.973 9.976 -0.900 1.00 0.00 C ATOM 1860 OE1 GLN A 119 -0.674 10.715 -1.838 1.00 0.00 O ATOM 1861 NE2 GLN A 119 -1.322 10.442 0.294 1.00 0.00 N ATOM 0 H GLN A 119 -0.425 5.927 -1.238 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.619 6.895 -2.842 1.00 0.00 H new ATOM 0 HB2 GLN A 119 0.228 7.935 -2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.231 8.821 -3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.880 8.056 -0.645 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -0.135 8.052 -0.485 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -1.562 9.794 1.044 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -1.350 11.448 0.461 1.00 0.00 H new ATOM 1870 N PHE A 120 0.192 6.196 -4.437 1.00 0.00 N ATOM 1871 CA PHE A 120 0.731 5.733 -5.711 1.00 0.00 C ATOM 1872 C PHE A 120 2.015 4.935 -5.500 1.00 0.00 C ATOM 1873 O PHE A 120 2.749 5.136 -4.533 1.00 0.00 O ATOM 1874 CB PHE A 120 1.002 6.921 -6.636 1.00 0.00 C ATOM 1875 CG PHE A 120 0.121 8.106 -6.364 1.00 0.00 C ATOM 1876 CD1 PHE A 120 -1.228 8.071 -6.681 1.00 0.00 C ATOM 1877 CD2 PHE A 120 0.640 9.256 -5.791 1.00 0.00 C ATOM 1878 CE1 PHE A 120 -2.042 9.160 -6.431 1.00 0.00 C ATOM 1879 CE2 PHE A 120 -0.169 10.347 -5.538 1.00 0.00 C ATOM 1880 CZ PHE A 120 -1.511 10.300 -5.860 1.00 0.00 C ATOM 0 H PHE A 120 0.897 6.499 -3.765 1.00 0.00 H new ATOM 0 HA PHE A 120 -0.009 5.081 -6.175 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.044 7.222 -6.532 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.863 6.605 -7.670 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.648 7.182 -7.129 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.689 9.300 -5.539 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.092 9.119 -6.682 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.248 11.236 -5.089 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.144 11.153 -5.666 1.00 0.00 H new ATOM 1890 N PRO A 121 2.292 4.007 -6.428 1.00 0.00 N ATOM 1891 CA PRO A 121 3.487 3.159 -6.367 1.00 0.00 C ATOM 1892 C PRO A 121 4.768 3.943 -6.627 1.00 0.00 C ATOM 1893 O PRO A 121 4.734 5.040 -7.187 1.00 0.00 O ATOM 1894 CB PRO A 121 3.252 2.134 -7.479 1.00 0.00 C ATOM 1895 CG PRO A 121 2.340 2.818 -8.438 1.00 0.00 C ATOM 1896 CD PRO A 121 1.462 3.713 -7.608 1.00 0.00 C ATOM 0 HA PRO A 121 3.621 2.715 -5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 121 4.188 1.848 -7.958 1.00 0.00 H new ATOM 0 HB3 PRO A 121 2.803 1.221 -7.088 1.00 0.00 H new ATOM 0 HG2 PRO A 121 2.905 3.395 -9.170 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.745 2.094 -8.994 1.00 0.00 H new ATOM 0 HD2 PRO A 121 1.192 4.622 -8.146 1.00 0.00 H new ATOM 0 HD3 PRO A 121 0.531 3.218 -7.331 1.00 0.00 H new ATOM 1904 N PHE A 122 5.898 3.375 -6.218 1.00 0.00 N ATOM 1905 CA PHE A 122 7.191 4.022 -6.407 1.00 0.00 C ATOM 1906 C PHE A 122 7.632 3.940 -7.866 1.00 0.00 C ATOM 1907 O PHE A 122 8.255 4.863 -8.391 1.00 0.00 O ATOM 1908 CB PHE A 122 8.245 3.375 -5.507 1.00 0.00 C ATOM 1909 CG PHE A 122 8.810 2.100 -6.065 1.00 0.00 C ATOM 1910 CD1 PHE A 122 8.092 0.918 -5.991 1.00 0.00 C ATOM 1911 CD2 PHE A 122 10.059 2.084 -6.665 1.00 0.00 C ATOM 1912 CE1 PHE A 122 8.610 -0.257 -6.503 1.00 0.00 C ATOM 1913 CE2 PHE A 122 10.582 0.913 -7.179 1.00 0.00 C ATOM 1914 CZ PHE A 122 9.855 -0.259 -7.099 1.00 0.00 C ATOM 0 H PHE A 122 5.944 2.468 -5.754 1.00 0.00 H new ATOM 0 HA PHE A 122 7.087 5.073 -6.136 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.058 4.083 -5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 122 7.803 3.171 -4.532 1.00 0.00 H new ATOM 0 HD1 PHE A 122 7.116 0.914 -5.528 1.00 0.00 H new ATOM 0 HD2 PHE A 122 10.631 2.998 -6.732 1.00 0.00 H new ATOM 0 HE1 PHE A 122 8.041 -1.173 -6.437 1.00 0.00 H new ATOM 0 HE2 PHE A 122 11.557 0.914 -7.643 1.00 0.00 H new ATOM 0 HZ PHE A 122 10.260 -1.175 -7.502 1.00 0.00 H new ATOM 1924 N LYS A 123 7.305 2.828 -8.515 1.00 0.00 N ATOM 1925 CA LYS A 123 7.666 2.623 -9.913 1.00 0.00 C ATOM 1926 C LYS A 123 6.858 3.542 -10.823 1.00 0.00 C ATOM 1927 O LYS A 123 7.283 3.858 -11.934 1.00 0.00 O ATOM 1928 CB LYS A 123 7.437 1.163 -10.311 1.00 0.00 C ATOM 1929 CG LYS A 123 8.519 0.220 -9.813 1.00 0.00 C ATOM 1930 CD LYS A 123 8.633 -1.012 -10.695 1.00 0.00 C ATOM 1931 CE LYS A 123 9.181 -2.202 -9.921 1.00 0.00 C ATOM 1932 NZ LYS A 123 10.667 -2.271 -9.987 1.00 0.00 N ATOM 0 H LYS A 123 6.790 2.054 -8.095 1.00 0.00 H new ATOM 0 HA LYS A 123 8.723 2.863 -10.029 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.473 0.836 -9.921 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.380 1.096 -11.397 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.476 0.742 -9.790 1.00 0.00 H new ATOM 0 HG3 LYS A 123 8.296 -0.083 -8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.653 -1.261 -11.102 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.285 -0.796 -11.542 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.867 -2.133 -8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.757 -3.122 -10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 11.001 -3.095 -9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 10.967 -2.362 -10.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 11.073 -1.404 -9.581 1.00 0.00 H new ATOM 1946 N GLU A 124 5.693 3.967 -10.344 1.00 0.00 N ATOM 1947 CA GLU A 124 4.827 4.851 -11.117 1.00 0.00 C ATOM 1948 C GLU A 124 5.651 5.779 -12.004 1.00 0.00 C ATOM 1949 O GLU A 124 6.643 6.370 -11.577 1.00 0.00 O ATOM 1950 CB GLU A 124 3.939 5.675 -10.183 1.00 0.00 C ATOM 1951 CG GLU A 124 2.536 5.902 -10.720 1.00 0.00 C ATOM 1952 CD GLU A 124 2.428 7.165 -11.553 1.00 0.00 C ATOM 1953 OE1 GLU A 124 2.979 8.203 -11.132 1.00 0.00 O ATOM 1954 OE2 GLU A 124 1.793 7.113 -12.628 1.00 0.00 O ATOM 0 H GLU A 124 5.327 3.714 -9.426 1.00 0.00 H new ATOM 0 HA GLU A 124 4.195 4.233 -11.755 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.873 5.170 -9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 124 4.411 6.641 -10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.240 5.045 -11.325 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.837 5.960 -9.886 1.00 0.00 H new ATOM 1961 N PRO A 125 5.231 5.912 -13.271 1.00 0.00 N ATOM 1962 CA PRO A 125 5.914 6.767 -14.247 1.00 0.00 C ATOM 1963 C PRO A 125 5.749 8.250 -13.933 1.00 0.00 C ATOM 1964 O PRO A 125 4.733 8.667 -13.379 1.00 0.00 O ATOM 1965 CB PRO A 125 5.224 6.419 -15.568 1.00 0.00 C ATOM 1966 CG PRO A 125 3.875 5.928 -15.173 1.00 0.00 C ATOM 1967 CD PRO A 125 4.056 5.238 -13.849 1.00 0.00 C ATOM 0 HA PRO A 125 6.991 6.597 -14.256 1.00 0.00 H new ATOM 0 HB2 PRO A 125 5.153 7.290 -16.219 1.00 0.00 H new ATOM 0 HB3 PRO A 125 5.778 5.656 -16.115 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.168 6.754 -15.089 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.476 5.241 -15.919 1.00 0.00 H new ATOM 0 HD2 PRO A 125 3.177 5.349 -13.215 1.00 0.00 H new ATOM 0 HD3 PRO A 125 4.227 4.169 -13.973 1.00 0.00 H new