USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=22 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 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 65 SER OG : rot -18:sc= 1.06 USER MOD Set 2.2: A 74 HIS : no HE2:sc= 0.974 K(o=2,f=-9.8!) USER MOD Set 3.1: A 26 HIS : no HE2:sc= -8.86! C(o=-9.7!,f=-12!) USER MOD Set 3.2: A 96 THR OG1 : rot -52:sc= -0.839 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -22:sc= 0.93 USER MOD Single : A 33 MET CE :methyl -166:sc= -1.03 (180deg=-1.84) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0581 X(o=-0.058,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 91:sc= 1.04 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot -102:sc= 0.626 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 73 LYS NZ :NH3+ -119:sc= 0.803 (180deg=-2.05!) USER MOD Single : A 76 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0583) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) 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 87 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 100:sc= -1.57 USER MOD Single : A 103 GLN : amide:sc= -0.944 K(o=-0.94,f=-1.8) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0.0091) USER MOD Single : A 105 ASN : amide:sc= -8.55! C(o=-8.6!,f=-7.7!) USER MOD Single : A 106 SER OG : rot 140:sc= -0.079 USER MOD Single : A 110 CYS SG : rot 153:sc= -1.43 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 79:sc= 0.645 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -3.05! C(o=-3!,f=-4.9!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 296 N LEU A 23 3.214 -10.790 -9.218 1.00 0.00 N ATOM 297 CA LEU A 23 3.186 -9.538 -8.468 1.00 0.00 C ATOM 298 C LEU A 23 4.209 -8.550 -9.020 1.00 0.00 C ATOM 299 O LEU A 23 4.056 -7.337 -8.875 1.00 0.00 O ATOM 300 CB LEU A 23 3.462 -9.802 -6.987 1.00 0.00 C ATOM 301 CG LEU A 23 2.485 -10.741 -6.279 1.00 0.00 C ATOM 302 CD1 LEU A 23 2.952 -11.027 -4.860 1.00 0.00 C ATOM 303 CD2 LEU A 23 1.084 -10.147 -6.272 1.00 0.00 C ATOM 0 HA LEU A 23 2.193 -9.101 -8.574 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.466 -10.217 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.462 -8.847 -6.462 1.00 0.00 H new ATOM 0 HG LEU A 23 2.456 -11.683 -6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.244 -11.697 -4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.935 -11.496 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.012 -10.093 -4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.402 -10.829 -5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.097 -9.191 -5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.748 -9.995 -7.298 1.00 0.00 H new ATOM 315 N SER A 24 5.252 -9.078 -9.654 1.00 0.00 N ATOM 316 CA SER A 24 6.301 -8.242 -10.226 1.00 0.00 C ATOM 317 C SER A 24 5.720 -7.250 -11.229 1.00 0.00 C ATOM 318 O SER A 24 6.166 -6.107 -11.318 1.00 0.00 O ATOM 319 CB SER A 24 7.360 -9.112 -10.907 1.00 0.00 C ATOM 320 OG SER A 24 8.379 -8.315 -11.486 1.00 0.00 O ATOM 0 H SER A 24 5.393 -10.080 -9.784 1.00 0.00 H new ATOM 0 HA SER A 24 6.767 -7.681 -9.416 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.798 -9.795 -10.179 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.891 -9.725 -11.677 1.00 0.00 H new ATOM 0 HG SER A 24 9.044 -8.894 -11.913 1.00 0.00 H new ATOM 326 N VAL A 25 4.720 -7.698 -11.983 1.00 0.00 N ATOM 327 CA VAL A 25 4.075 -6.851 -12.979 1.00 0.00 C ATOM 328 C VAL A 25 3.609 -5.536 -12.363 1.00 0.00 C ATOM 329 O VAL A 25 3.582 -4.501 -13.030 1.00 0.00 O ATOM 330 CB VAL A 25 2.869 -7.560 -13.623 1.00 0.00 C ATOM 331 CG1 VAL A 25 3.288 -8.899 -14.210 1.00 0.00 C ATOM 332 CG2 VAL A 25 1.752 -7.740 -12.606 1.00 0.00 C ATOM 0 H VAL A 25 4.340 -8.642 -11.923 1.00 0.00 H new ATOM 0 HA VAL A 25 4.819 -6.645 -13.749 1.00 0.00 H new ATOM 0 HB VAL A 25 2.493 -6.937 -14.434 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.423 -9.385 -14.661 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.052 -8.740 -14.971 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.690 -9.533 -13.420 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.908 -8.243 -13.078 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.113 -8.342 -11.772 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.434 -6.764 -12.238 1.00 0.00 H new ATOM 342 N HIS A 26 3.241 -5.584 -11.087 1.00 0.00 N ATOM 343 CA HIS A 26 2.776 -4.396 -10.380 1.00 0.00 C ATOM 344 C HIS A 26 3.889 -3.358 -10.271 1.00 0.00 C ATOM 345 O HIS A 26 5.071 -3.686 -10.384 1.00 0.00 O ATOM 346 CB HIS A 26 2.274 -4.771 -8.985 1.00 0.00 C ATOM 347 CG HIS A 26 1.333 -5.936 -8.980 1.00 0.00 C ATOM 348 ND1 HIS A 26 0.324 -6.092 -9.906 1.00 0.00 N ATOM 349 CD2 HIS A 26 1.254 -7.006 -8.155 1.00 0.00 C ATOM 350 CE1 HIS A 26 -0.337 -7.206 -9.650 1.00 0.00 C ATOM 351 NE2 HIS A 26 0.207 -7.781 -8.593 1.00 0.00 N ATOM 0 H HIS A 26 3.256 -6.433 -10.521 1.00 0.00 H new ATOM 0 HA HIS A 26 1.954 -3.963 -10.950 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.129 -5.003 -8.350 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.774 -3.909 -8.544 1.00 0.00 H new ATOM 0 HD1 HIS A 26 0.120 -5.448 -10.670 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.894 -7.212 -7.310 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.180 -7.583 -10.210 1.00 0.00 H new ATOM 359 N LEU A 27 3.504 -2.106 -10.052 1.00 0.00 N ATOM 360 CA LEU A 27 4.469 -1.019 -9.929 1.00 0.00 C ATOM 361 C LEU A 27 4.993 -0.916 -8.500 1.00 0.00 C ATOM 362 O LEU A 27 6.156 -0.579 -8.278 1.00 0.00 O ATOM 363 CB LEU A 27 3.831 0.307 -10.347 1.00 0.00 C ATOM 364 CG LEU A 27 3.572 0.484 -11.843 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.733 1.727 -12.096 1.00 0.00 C ATOM 366 CD2 LEU A 27 4.886 0.561 -12.607 1.00 0.00 C ATOM 0 H LEU A 27 2.530 -1.818 -9.956 1.00 0.00 H new ATOM 0 HA LEU A 27 5.308 -1.235 -10.590 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.883 0.414 -9.819 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.476 1.119 -10.012 1.00 0.00 H new ATOM 0 HG LEU A 27 3.017 -0.383 -12.201 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.559 1.837 -13.166 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.777 1.632 -11.581 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.261 2.604 -11.723 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.682 0.687 -13.670 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.468 1.409 -12.246 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.451 -0.358 -12.452 1.00 0.00 H new ATOM 378 N TRP A 28 4.129 -1.210 -7.536 1.00 0.00 N ATOM 379 CA TRP A 28 4.506 -1.152 -6.128 1.00 0.00 C ATOM 380 C TRP A 28 5.219 -2.431 -5.702 1.00 0.00 C ATOM 381 O TRP A 28 5.284 -2.751 -4.515 1.00 0.00 O ATOM 382 CB TRP A 28 3.269 -0.929 -5.256 1.00 0.00 C ATOM 383 CG TRP A 28 2.057 -1.664 -5.745 1.00 0.00 C ATOM 384 CD1 TRP A 28 0.982 -1.130 -6.397 1.00 0.00 C ATOM 385 CD2 TRP A 28 1.797 -3.066 -5.620 1.00 0.00 C ATOM 386 NE1 TRP A 28 0.069 -2.116 -6.684 1.00 0.00 N ATOM 387 CE2 TRP A 28 0.546 -3.313 -6.219 1.00 0.00 C ATOM 388 CE3 TRP A 28 2.500 -4.138 -5.063 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -0.015 -4.586 -6.273 1.00 0.00 C ATOM 390 CZ3 TRP A 28 1.941 -5.401 -5.118 1.00 0.00 C ATOM 391 CH2 TRP A 28 0.695 -5.617 -5.720 1.00 0.00 C ATOM 0 H TRP A 28 3.163 -1.491 -7.703 1.00 0.00 H new ATOM 0 HA TRP A 28 5.191 -0.315 -5.996 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.490 -1.245 -4.237 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.048 0.138 -5.218 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.867 -0.086 -6.650 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.820 -1.979 -7.165 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.462 -3.982 -4.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.977 -4.754 -6.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.475 -6.236 -4.689 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.287 -6.616 -5.748 1.00 0.00 H new ATOM 402 N TYR A 29 5.752 -3.158 -6.677 1.00 0.00 N ATOM 403 CA TYR A 29 6.459 -4.404 -6.403 1.00 0.00 C ATOM 404 C TYR A 29 7.940 -4.276 -6.744 1.00 0.00 C ATOM 405 O TYR A 29 8.339 -4.428 -7.898 1.00 0.00 O ATOM 406 CB TYR A 29 5.838 -5.553 -7.200 1.00 0.00 C ATOM 407 CG TYR A 29 6.028 -6.908 -6.556 1.00 0.00 C ATOM 408 CD1 TYR A 29 5.166 -7.352 -5.560 1.00 0.00 C ATOM 409 CD2 TYR A 29 7.069 -7.743 -6.942 1.00 0.00 C ATOM 410 CE1 TYR A 29 5.336 -8.589 -4.969 1.00 0.00 C ATOM 411 CE2 TYR A 29 7.246 -8.981 -6.357 1.00 0.00 C ATOM 412 CZ TYR A 29 6.377 -9.400 -5.370 1.00 0.00 C ATOM 413 OH TYR A 29 6.550 -10.633 -4.784 1.00 0.00 O ATOM 0 H TYR A 29 5.708 -2.906 -7.665 1.00 0.00 H new ATOM 0 HA TYR A 29 6.367 -4.618 -5.338 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.771 -5.364 -7.322 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.275 -5.570 -8.198 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.350 -6.720 -5.243 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.752 -7.418 -7.713 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.657 -8.919 -4.197 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.060 -9.618 -6.670 1.00 0.00 H new ATOM 0 HH TYR A 29 6.112 -10.643 -3.907 1.00 0.00 H new ATOM 423 N ALA A 30 8.752 -3.996 -5.729 1.00 0.00 N ATOM 424 CA ALA A 30 10.190 -3.850 -5.919 1.00 0.00 C ATOM 425 C ALA A 30 10.939 -5.070 -5.395 1.00 0.00 C ATOM 426 O ALA A 30 12.046 -4.953 -4.870 1.00 0.00 O ATOM 427 CB ALA A 30 10.688 -2.587 -5.232 1.00 0.00 C ATOM 0 H ALA A 30 8.438 -3.866 -4.767 1.00 0.00 H new ATOM 0 HA ALA A 30 10.384 -3.769 -6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.763 -2.491 -5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.183 -1.719 -5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.475 -2.645 -4.165 1.00 0.00 H new ATOM 433 N GLY A 31 10.328 -6.242 -5.541 1.00 0.00 N ATOM 434 CA GLY A 31 10.952 -7.467 -5.076 1.00 0.00 C ATOM 435 C GLY A 31 11.721 -7.273 -3.784 1.00 0.00 C ATOM 436 O GLY A 31 11.436 -6.369 -2.998 1.00 0.00 O ATOM 0 H GLY A 31 9.412 -6.365 -5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.186 -8.228 -4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.628 -7.841 -5.845 1.00 0.00 H new ATOM 440 N PRO A 32 12.720 -8.136 -3.549 1.00 0.00 N ATOM 441 CA PRO A 32 13.551 -8.076 -2.344 1.00 0.00 C ATOM 442 C PRO A 32 14.470 -6.859 -2.333 1.00 0.00 C ATOM 443 O PRO A 32 15.586 -6.909 -2.848 1.00 0.00 O ATOM 444 CB PRO A 32 14.372 -9.366 -2.414 1.00 0.00 C ATOM 445 CG PRO A 32 14.422 -9.704 -3.864 1.00 0.00 C ATOM 446 CD PRO A 32 13.115 -9.238 -4.443 1.00 0.00 C ATOM 0 HA PRO A 32 12.950 -7.986 -1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.372 -9.221 -2.006 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.905 -10.164 -1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.263 -9.210 -4.351 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.554 -10.776 -4.011 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.230 -8.899 -5.473 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.372 -10.035 -4.451 1.00 0.00 H new ATOM 454 N MET A 33 13.992 -5.768 -1.743 1.00 0.00 N ATOM 455 CA MET A 33 14.772 -4.539 -1.664 1.00 0.00 C ATOM 456 C MET A 33 15.165 -4.235 -0.222 1.00 0.00 C ATOM 457 O MET A 33 14.407 -4.513 0.708 1.00 0.00 O ATOM 458 CB MET A 33 13.979 -3.368 -2.246 1.00 0.00 C ATOM 459 CG MET A 33 14.728 -2.045 -2.204 1.00 0.00 C ATOM 460 SD MET A 33 14.227 -0.921 -3.521 1.00 0.00 S ATOM 461 CE MET A 33 12.513 -0.633 -3.087 1.00 0.00 C ATOM 0 H MET A 33 13.069 -5.710 -1.313 1.00 0.00 H new ATOM 0 HA MET A 33 15.682 -4.678 -2.248 1.00 0.00 H new ATOM 0 HB2 MET A 33 13.717 -3.595 -3.279 1.00 0.00 H new ATOM 0 HB3 MET A 33 13.044 -3.264 -1.696 1.00 0.00 H new ATOM 0 HG2 MET A 33 14.559 -1.567 -1.239 1.00 0.00 H new ATOM 0 HG3 MET A 33 15.798 -2.235 -2.282 1.00 0.00 H new ATOM 0 HE1 MET A 33 11.998 -0.166 -3.927 1.00 0.00 H new ATOM 0 HE2 MET A 33 12.033 -1.583 -2.850 1.00 0.00 H new ATOM 0 HE3 MET A 33 12.463 0.025 -2.220 1.00 0.00 H new ATOM 471 N GLU A 34 16.352 -3.665 -0.043 1.00 0.00 N ATOM 472 CA GLU A 34 16.843 -3.325 1.287 1.00 0.00 C ATOM 473 C GLU A 34 16.181 -2.051 1.803 1.00 0.00 C ATOM 474 O GLU A 34 16.039 -1.072 1.070 1.00 0.00 O ATOM 475 CB GLU A 34 18.363 -3.149 1.264 1.00 0.00 C ATOM 476 CG GLU A 34 19.119 -4.430 0.954 1.00 0.00 C ATOM 477 CD GLU A 34 20.605 -4.314 1.235 1.00 0.00 C ATOM 478 OE1 GLU A 34 21.223 -3.336 0.766 1.00 0.00 O ATOM 479 OE2 GLU A 34 21.149 -5.202 1.925 1.00 0.00 O ATOM 0 H GLU A 34 16.991 -3.429 -0.802 1.00 0.00 H new ATOM 0 HA GLU A 34 16.589 -4.144 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.622 -2.395 0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.691 -2.768 2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.704 -5.245 1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.971 -4.690 -0.094 1.00 0.00 H new ATOM 486 N ARG A 35 15.777 -2.072 3.069 1.00 0.00 N ATOM 487 CA ARG A 35 15.128 -0.920 3.683 1.00 0.00 C ATOM 488 C ARG A 35 15.735 0.383 3.171 1.00 0.00 C ATOM 489 O ARG A 35 15.024 1.264 2.691 1.00 0.00 O ATOM 490 CB ARG A 35 15.253 -0.989 5.206 1.00 0.00 C ATOM 491 CG ARG A 35 14.420 0.053 5.934 1.00 0.00 C ATOM 492 CD ARG A 35 14.536 -0.095 7.443 1.00 0.00 C ATOM 493 NE ARG A 35 15.820 0.389 7.943 1.00 0.00 N ATOM 494 CZ ARG A 35 16.057 0.654 9.223 1.00 0.00 C ATOM 495 NH1 ARG A 35 15.102 0.484 10.127 1.00 0.00 N ATOM 496 NH2 ARG A 35 17.252 1.091 9.601 1.00 0.00 N ATOM 0 H ARG A 35 15.888 -2.874 3.689 1.00 0.00 H new ATOM 0 HA ARG A 35 14.073 -0.941 3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.952 -1.981 5.542 1.00 0.00 H new ATOM 0 HB3 ARG A 35 16.300 -0.862 5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 35 14.745 1.051 5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.376 -0.043 5.637 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.728 0.456 7.925 1.00 0.00 H new ATOM 0 HD3 ARG A 35 14.413 -1.143 7.715 1.00 0.00 H new ATOM 0 HE ARG A 35 16.576 0.531 7.273 1.00 0.00 H new ATOM 0 HH11 ARG A 35 14.182 0.149 9.840 1.00 0.00 H new ATOM 0 HH12 ARG A 35 15.287 0.688 11.109 1.00 0.00 H new ATOM 0 HH21 ARG A 35 17.989 1.224 8.908 1.00 0.00 H new ATOM 0 HH22 ARG A 35 17.433 1.294 10.584 1.00 0.00 H new ATOM 510 N ALA A 36 17.055 0.497 3.279 1.00 0.00 N ATOM 511 CA ALA A 36 17.758 1.691 2.826 1.00 0.00 C ATOM 512 C ALA A 36 17.236 2.154 1.471 1.00 0.00 C ATOM 513 O ALA A 36 16.864 3.315 1.301 1.00 0.00 O ATOM 514 CB ALA A 36 19.255 1.427 2.756 1.00 0.00 C ATOM 0 H ALA A 36 17.659 -0.223 3.676 1.00 0.00 H new ATOM 0 HA ALA A 36 17.574 2.487 3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 36 19.768 2.327 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 36 19.622 1.151 3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 36 19.449 0.613 2.057 1.00 0.00 H new ATOM 520 N GLY A 37 17.212 1.239 0.506 1.00 0.00 N ATOM 521 CA GLY A 37 16.734 1.574 -0.822 1.00 0.00 C ATOM 522 C GLY A 37 15.410 2.311 -0.794 1.00 0.00 C ATOM 523 O GLY A 37 15.292 3.410 -1.335 1.00 0.00 O ATOM 0 H GLY A 37 17.515 0.272 0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 37 17.478 2.189 -1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.625 0.660 -1.407 1.00 0.00 H new ATOM 527 N ALA A 38 14.410 1.703 -0.163 1.00 0.00 N ATOM 528 CA ALA A 38 13.088 2.309 -0.067 1.00 0.00 C ATOM 529 C ALA A 38 13.163 3.692 0.570 1.00 0.00 C ATOM 530 O ALA A 38 12.455 4.612 0.162 1.00 0.00 O ATOM 531 CB ALA A 38 12.152 1.409 0.728 1.00 0.00 C ATOM 0 H ALA A 38 14.491 0.792 0.289 1.00 0.00 H new ATOM 0 HA ALA A 38 12.694 2.424 -1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.168 1.873 0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.066 0.443 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.551 1.265 1.732 1.00 0.00 H new ATOM 537 N GLU A 39 14.024 3.831 1.573 1.00 0.00 N ATOM 538 CA GLU A 39 14.189 5.103 2.267 1.00 0.00 C ATOM 539 C GLU A 39 14.863 6.132 1.364 1.00 0.00 C ATOM 540 O GLU A 39 14.704 7.338 1.552 1.00 0.00 O ATOM 541 CB GLU A 39 15.013 4.911 3.542 1.00 0.00 C ATOM 542 CG GLU A 39 14.411 3.905 4.510 1.00 0.00 C ATOM 543 CD GLU A 39 15.157 3.847 5.829 1.00 0.00 C ATOM 544 OE1 GLU A 39 16.286 3.315 5.850 1.00 0.00 O ATOM 545 OE2 GLU A 39 14.610 4.334 6.841 1.00 0.00 O ATOM 0 H GLU A 39 14.618 3.079 1.923 1.00 0.00 H new ATOM 0 HA GLU A 39 13.199 5.472 2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.017 4.585 3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.115 5.872 4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.369 4.165 4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.415 2.917 4.050 1.00 0.00 H new ATOM 552 N SER A 40 15.616 5.646 0.382 1.00 0.00 N ATOM 553 CA SER A 40 16.318 6.523 -0.548 1.00 0.00 C ATOM 554 C SER A 40 15.506 6.722 -1.824 1.00 0.00 C ATOM 555 O SER A 40 15.685 7.709 -2.539 1.00 0.00 O ATOM 556 CB SER A 40 17.692 5.943 -0.890 1.00 0.00 C ATOM 557 OG SER A 40 18.487 6.891 -1.581 1.00 0.00 O ATOM 0 H SER A 40 15.755 4.650 0.210 1.00 0.00 H new ATOM 0 HA SER A 40 16.450 7.492 -0.067 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.199 5.636 0.025 1.00 0.00 H new ATOM 0 HB3 SER A 40 17.571 5.049 -1.502 1.00 0.00 H new ATOM 0 HG SER A 40 19.360 6.497 -1.787 1.00 0.00 H new ATOM 563 N ILE A 41 14.612 5.779 -2.103 1.00 0.00 N ATOM 564 CA ILE A 41 13.772 5.851 -3.291 1.00 0.00 C ATOM 565 C ILE A 41 12.623 6.834 -3.094 1.00 0.00 C ATOM 566 O ILE A 41 12.450 7.769 -3.877 1.00 0.00 O ATOM 567 CB ILE A 41 13.194 4.471 -3.657 1.00 0.00 C ATOM 568 CG1 ILE A 41 14.307 3.540 -4.143 1.00 0.00 C ATOM 569 CG2 ILE A 41 12.114 4.613 -4.718 1.00 0.00 C ATOM 570 CD1 ILE A 41 14.049 2.080 -3.841 1.00 0.00 C ATOM 0 H ILE A 41 14.451 4.956 -1.522 1.00 0.00 H new ATOM 0 HA ILE A 41 14.408 6.197 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 41 12.744 4.034 -2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.429 3.664 -5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.247 3.838 -3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.716 3.629 -4.966 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.311 5.244 -4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.540 5.068 -5.612 1.00 0.00 H new ATOM 0 HD11 ILE A 41 14.879 1.479 -4.214 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.956 1.942 -2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.126 1.765 -4.328 1.00 0.00 H new ATOM 582 N LEU A 42 11.842 6.619 -2.042 1.00 0.00 N ATOM 583 CA LEU A 42 10.709 7.487 -1.739 1.00 0.00 C ATOM 584 C LEU A 42 11.182 8.811 -1.146 1.00 0.00 C ATOM 585 O LEU A 42 10.401 9.751 -1.001 1.00 0.00 O ATOM 586 CB LEU A 42 9.754 6.792 -0.768 1.00 0.00 C ATOM 587 CG LEU A 42 9.394 5.344 -1.101 1.00 0.00 C ATOM 588 CD1 LEU A 42 8.571 4.727 0.019 1.00 0.00 C ATOM 589 CD2 LEU A 42 8.641 5.271 -2.421 1.00 0.00 C ATOM 0 H LEU A 42 11.972 5.851 -1.384 1.00 0.00 H new ATOM 0 HA LEU A 42 10.182 7.694 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.199 6.815 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.833 7.372 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 42 10.318 4.775 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.324 3.696 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.146 4.744 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.652 5.298 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.393 4.233 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.724 5.856 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.266 5.672 -3.219 1.00 0.00 H new ATOM 601 N ALA A 43 12.465 8.877 -0.807 1.00 0.00 N ATOM 602 CA ALA A 43 13.043 10.086 -0.234 1.00 0.00 C ATOM 603 C ALA A 43 12.745 11.302 -1.104 1.00 0.00 C ATOM 604 O ALA A 43 12.329 12.347 -0.605 1.00 0.00 O ATOM 605 CB ALA A 43 14.544 9.919 -0.052 1.00 0.00 C ATOM 0 H ALA A 43 13.124 8.107 -0.919 1.00 0.00 H new ATOM 0 HA ALA A 43 12.587 10.250 0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.962 10.830 0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.738 9.081 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 43 15.009 9.727 -1.019 1.00 0.00 H new ATOM 611 N ASN A 44 12.961 11.159 -2.407 1.00 0.00 N ATOM 612 CA ASN A 44 12.717 12.247 -3.347 1.00 0.00 C ATOM 613 C ASN A 44 11.272 12.229 -3.837 1.00 0.00 C ATOM 614 O ASN A 44 10.692 13.275 -4.129 1.00 0.00 O ATOM 615 CB ASN A 44 13.672 12.144 -4.538 1.00 0.00 C ATOM 616 CG ASN A 44 15.108 11.909 -4.110 1.00 0.00 C ATOM 617 OD1 ASN A 44 15.868 12.855 -3.901 1.00 0.00 O ATOM 618 ND2 ASN A 44 15.486 10.643 -3.977 1.00 0.00 N ATOM 0 H ASN A 44 13.305 10.300 -2.836 1.00 0.00 H new ATOM 0 HA ASN A 44 12.894 13.189 -2.828 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.352 11.329 -5.188 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.616 13.061 -5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.440 10.423 -3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.822 9.891 -4.161 1.00 0.00 H new ATOM 625 N ARG A 45 10.697 11.034 -3.922 1.00 0.00 N ATOM 626 CA ARG A 45 9.320 10.880 -4.377 1.00 0.00 C ATOM 627 C ARG A 45 8.391 11.832 -3.630 1.00 0.00 C ATOM 628 O ARG A 45 8.806 12.510 -2.689 1.00 0.00 O ATOM 629 CB ARG A 45 8.854 9.436 -4.179 1.00 0.00 C ATOM 630 CG ARG A 45 9.628 8.427 -5.010 1.00 0.00 C ATOM 631 CD ARG A 45 9.073 8.325 -6.422 1.00 0.00 C ATOM 632 NE ARG A 45 9.612 9.363 -7.298 1.00 0.00 N ATOM 633 CZ ARG A 45 10.672 9.188 -8.079 1.00 0.00 C ATOM 634 NH1 ARG A 45 11.303 8.022 -8.095 1.00 0.00 N ATOM 635 NH2 ARG A 45 11.102 10.180 -8.848 1.00 0.00 N ATOM 0 H ARG A 45 11.163 10.159 -3.682 1.00 0.00 H new ATOM 0 HA ARG A 45 9.285 11.124 -5.439 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.948 9.174 -3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.796 9.367 -4.432 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.678 8.717 -5.051 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.585 7.449 -4.530 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.309 7.344 -6.834 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.986 8.405 -6.391 1.00 0.00 H new ATOM 0 HE ARG A 45 9.149 10.272 -7.310 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.975 7.256 -7.506 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.117 7.891 -8.696 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.618 11.078 -8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.916 10.045 -9.447 1.00 0.00 H new ATOM 649 N SER A 46 7.133 11.879 -4.056 1.00 0.00 N ATOM 650 CA SER A 46 6.147 12.752 -3.431 1.00 0.00 C ATOM 651 C SER A 46 5.376 12.010 -2.343 1.00 0.00 C ATOM 652 O SER A 46 4.990 10.854 -2.520 1.00 0.00 O ATOM 653 CB SER A 46 5.175 13.293 -4.481 1.00 0.00 C ATOM 654 OG SER A 46 5.594 14.560 -4.959 1.00 0.00 O ATOM 0 H SER A 46 6.773 11.323 -4.831 1.00 0.00 H new ATOM 0 HA SER A 46 6.677 13.587 -2.972 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.106 12.592 -5.313 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.177 13.375 -4.050 1.00 0.00 H new ATOM 0 HG SER A 46 4.957 14.883 -5.630 1.00 0.00 H new ATOM 660 N ASP A 47 5.156 12.682 -1.219 1.00 0.00 N ATOM 661 CA ASP A 47 4.431 12.088 -0.102 1.00 0.00 C ATOM 662 C ASP A 47 3.259 11.248 -0.600 1.00 0.00 C ATOM 663 O ASP A 47 2.407 11.733 -1.344 1.00 0.00 O ATOM 664 CB ASP A 47 3.927 13.178 0.845 1.00 0.00 C ATOM 665 CG ASP A 47 2.794 13.987 0.246 1.00 0.00 C ATOM 666 OD1 ASP A 47 2.954 14.481 -0.890 1.00 0.00 O ATOM 667 OD2 ASP A 47 1.747 14.128 0.913 1.00 0.00 O ATOM 0 H ASP A 47 5.469 13.639 -1.057 1.00 0.00 H new ATOM 0 HA ASP A 47 5.118 11.437 0.439 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.590 12.720 1.775 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.751 13.845 1.098 1.00 0.00 H new ATOM 672 N GLY A 48 3.222 9.986 -0.185 1.00 0.00 N ATOM 673 CA GLY A 48 2.151 9.099 -0.600 1.00 0.00 C ATOM 674 C GLY A 48 2.647 7.956 -1.464 1.00 0.00 C ATOM 675 O GLY A 48 1.979 6.930 -1.593 1.00 0.00 O ATOM 0 H GLY A 48 3.915 9.562 0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.656 8.695 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.404 9.670 -1.152 1.00 0.00 H new ATOM 679 N THR A 49 3.822 8.133 -2.060 1.00 0.00 N ATOM 680 CA THR A 49 4.405 7.110 -2.918 1.00 0.00 C ATOM 681 C THR A 49 4.745 5.854 -2.124 1.00 0.00 C ATOM 682 O THR A 49 5.760 5.801 -1.431 1.00 0.00 O ATOM 683 CB THR A 49 5.679 7.622 -3.616 1.00 0.00 C ATOM 684 OG1 THR A 49 5.440 8.914 -4.186 1.00 0.00 O ATOM 685 CG2 THR A 49 6.125 6.657 -4.705 1.00 0.00 C ATOM 0 H THR A 49 4.388 8.976 -1.964 1.00 0.00 H new ATOM 0 HA THR A 49 3.657 6.868 -3.673 1.00 0.00 H new ATOM 0 HB THR A 49 6.471 7.695 -2.870 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.674 9.607 -3.534 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.026 7.040 -5.184 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.334 5.682 -4.264 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.334 6.557 -5.448 1.00 0.00 H new ATOM 693 N PHE A 50 3.889 4.843 -2.231 1.00 0.00 N ATOM 694 CA PHE A 50 4.098 3.586 -1.522 1.00 0.00 C ATOM 695 C PHE A 50 4.871 2.595 -2.387 1.00 0.00 C ATOM 696 O PHE A 50 4.821 2.656 -3.617 1.00 0.00 O ATOM 697 CB PHE A 50 2.755 2.979 -1.108 1.00 0.00 C ATOM 698 CG PHE A 50 1.970 2.420 -2.260 1.00 0.00 C ATOM 699 CD1 PHE A 50 1.285 3.261 -3.122 1.00 0.00 C ATOM 700 CD2 PHE A 50 1.917 1.053 -2.480 1.00 0.00 C ATOM 701 CE1 PHE A 50 0.561 2.749 -4.181 1.00 0.00 C ATOM 702 CE2 PHE A 50 1.195 0.535 -3.539 1.00 0.00 C ATOM 703 CZ PHE A 50 0.517 1.384 -4.391 1.00 0.00 C ATOM 0 H PHE A 50 3.044 4.870 -2.802 1.00 0.00 H new ATOM 0 HA PHE A 50 4.685 3.796 -0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.932 2.187 -0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.159 3.743 -0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.318 4.329 -2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.446 0.385 -1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.030 3.415 -4.845 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.161 -0.532 -3.700 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.047 0.982 -5.220 1.00 0.00 H new ATOM 713 N LEU A 51 5.586 1.684 -1.738 1.00 0.00 N ATOM 714 CA LEU A 51 6.371 0.679 -2.447 1.00 0.00 C ATOM 715 C LEU A 51 6.480 -0.604 -1.629 1.00 0.00 C ATOM 716 O LEU A 51 6.900 -0.581 -0.472 1.00 0.00 O ATOM 717 CB LEU A 51 7.768 1.221 -2.757 1.00 0.00 C ATOM 718 CG LEU A 51 8.854 0.902 -1.729 1.00 0.00 C ATOM 719 CD1 LEU A 51 9.381 -0.511 -1.929 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.988 1.913 -1.820 1.00 0.00 C ATOM 0 H LEU A 51 5.639 1.620 -0.721 1.00 0.00 H new ATOM 0 HA LEU A 51 5.861 0.448 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.083 0.827 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.701 2.304 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 51 8.415 0.966 -0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.153 -0.720 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.564 -1.224 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.804 -0.603 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.752 1.670 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.425 1.881 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.600 2.913 -1.626 1.00 0.00 H new ATOM 732 N VAL A 52 6.101 -1.722 -2.239 1.00 0.00 N ATOM 733 CA VAL A 52 6.160 -3.016 -1.569 1.00 0.00 C ATOM 734 C VAL A 52 7.440 -3.763 -1.927 1.00 0.00 C ATOM 735 O VAL A 52 7.753 -3.951 -3.103 1.00 0.00 O ATOM 736 CB VAL A 52 4.947 -3.893 -1.935 1.00 0.00 C ATOM 737 CG1 VAL A 52 4.857 -5.094 -1.007 1.00 0.00 C ATOM 738 CG2 VAL A 52 3.665 -3.075 -1.888 1.00 0.00 C ATOM 0 H VAL A 52 5.750 -1.758 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 52 6.146 -2.818 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 52 5.080 -4.260 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.994 -5.702 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.764 -5.691 -1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.748 -4.751 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.818 -3.710 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.524 -2.677 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.733 -2.251 -2.598 1.00 0.00 H new ATOM 748 N ARG A 53 8.176 -4.188 -0.905 1.00 0.00 N ATOM 749 CA ARG A 53 9.423 -4.914 -1.111 1.00 0.00 C ATOM 750 C ARG A 53 9.473 -6.167 -0.242 1.00 0.00 C ATOM 751 O ARG A 53 8.676 -6.323 0.684 1.00 0.00 O ATOM 752 CB ARG A 53 10.620 -4.014 -0.798 1.00 0.00 C ATOM 753 CG ARG A 53 10.628 -3.488 0.628 1.00 0.00 C ATOM 754 CD ARG A 53 11.585 -2.316 0.783 1.00 0.00 C ATOM 755 NE ARG A 53 11.496 -1.708 2.108 1.00 0.00 N ATOM 756 CZ ARG A 53 12.036 -2.241 3.198 1.00 0.00 C ATOM 757 NH1 ARG A 53 12.701 -3.385 3.122 1.00 0.00 N ATOM 758 NH2 ARG A 53 11.913 -1.628 4.369 1.00 0.00 N ATOM 0 H ARG A 53 7.930 -4.042 0.074 1.00 0.00 H new ATOM 0 HA ARG A 53 9.469 -5.217 -2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.540 -4.571 -0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.620 -3.170 -1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.622 -3.177 0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.916 -4.288 1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.606 -2.656 0.608 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.365 -1.565 0.024 1.00 0.00 H new ATOM 0 HE ARG A 53 10.992 -0.826 2.201 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.799 -3.859 2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.114 -3.791 3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.403 -0.747 4.432 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.328 -2.038 5.206 1.00 0.00 H new ATOM 898 N PHE A 62 6.535 -9.748 3.363 1.00 0.00 N ATOM 899 CA PHE A 62 6.507 -8.522 2.573 1.00 0.00 C ATOM 900 C PHE A 62 6.396 -7.296 3.475 1.00 0.00 C ATOM 901 O PHE A 62 6.112 -7.413 4.667 1.00 0.00 O ATOM 902 CB PHE A 62 5.336 -8.552 1.588 1.00 0.00 C ATOM 903 CG PHE A 62 5.539 -9.505 0.445 1.00 0.00 C ATOM 904 CD1 PHE A 62 5.347 -10.866 0.618 1.00 0.00 C ATOM 905 CD2 PHE A 62 5.922 -9.039 -0.803 1.00 0.00 C ATOM 906 CE1 PHE A 62 5.533 -11.745 -0.432 1.00 0.00 C ATOM 907 CE2 PHE A 62 6.110 -9.914 -1.857 1.00 0.00 C ATOM 908 CZ PHE A 62 5.914 -11.268 -1.671 1.00 0.00 C ATOM 0 HA PHE A 62 7.441 -8.457 2.015 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.428 -8.828 2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.180 -7.549 1.191 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.049 -11.244 1.585 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.075 -7.981 -0.954 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.381 -12.804 -0.284 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.410 -9.539 -2.824 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.058 -11.953 -2.493 1.00 0.00 H new ATOM 918 N ALA A 63 6.623 -6.121 2.897 1.00 0.00 N ATOM 919 CA ALA A 63 6.547 -4.874 3.648 1.00 0.00 C ATOM 920 C ALA A 63 6.245 -3.697 2.726 1.00 0.00 C ATOM 921 O ALA A 63 6.905 -3.511 1.704 1.00 0.00 O ATOM 922 CB ALA A 63 7.845 -4.634 4.405 1.00 0.00 C ATOM 0 H ALA A 63 6.861 -6.007 1.912 1.00 0.00 H new ATOM 0 HA ALA A 63 5.731 -4.959 4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.774 -3.699 4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.019 -5.457 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.673 -4.574 3.698 1.00 0.00 H new ATOM 928 N ILE A 64 5.244 -2.905 3.095 1.00 0.00 N ATOM 929 CA ILE A 64 4.855 -1.746 2.301 1.00 0.00 C ATOM 930 C ILE A 64 5.476 -0.468 2.854 1.00 0.00 C ATOM 931 O ILE A 64 5.132 -0.020 3.947 1.00 0.00 O ATOM 932 CB ILE A 64 3.324 -1.582 2.257 1.00 0.00 C ATOM 933 CG1 ILE A 64 2.700 -2.652 1.360 1.00 0.00 C ATOM 934 CG2 ILE A 64 2.955 -0.190 1.766 1.00 0.00 C ATOM 935 CD1 ILE A 64 1.217 -2.842 1.588 1.00 0.00 C ATOM 0 H ILE A 64 4.688 -3.045 3.938 1.00 0.00 H new ATOM 0 HA ILE A 64 5.223 -1.918 1.290 1.00 0.00 H new ATOM 0 HB ILE A 64 2.931 -1.707 3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.867 -2.383 0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.210 -3.600 1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.870 -0.089 1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.373 0.557 2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.357 -0.039 0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.842 -3.616 0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.043 -3.142 2.621 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.695 -1.906 1.389 1.00 0.00 H new ATOM 947 N SER A 65 6.394 0.116 2.089 1.00 0.00 N ATOM 948 CA SER A 65 7.065 1.343 2.503 1.00 0.00 C ATOM 949 C SER A 65 6.614 2.524 1.649 1.00 0.00 C ATOM 950 O SER A 65 6.721 2.493 0.423 1.00 0.00 O ATOM 951 CB SER A 65 8.583 1.177 2.402 1.00 0.00 C ATOM 952 OG SER A 65 9.023 0.050 3.141 1.00 0.00 O ATOM 0 H SER A 65 6.690 -0.241 1.180 1.00 0.00 H new ATOM 0 HA SER A 65 6.796 1.543 3.540 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.871 1.065 1.357 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.076 2.075 2.774 1.00 0.00 H new ATOM 0 HG SER A 65 8.330 -0.212 3.782 1.00 0.00 H new ATOM 958 N ILE A 66 6.110 3.562 2.306 1.00 0.00 N ATOM 959 CA ILE A 66 5.643 4.754 1.609 1.00 0.00 C ATOM 960 C ILE A 66 6.191 6.021 2.257 1.00 0.00 C ATOM 961 O ILE A 66 6.701 5.988 3.377 1.00 0.00 O ATOM 962 CB ILE A 66 4.105 4.827 1.587 1.00 0.00 C ATOM 963 CG1 ILE A 66 3.597 5.695 2.740 1.00 0.00 C ATOM 964 CG2 ILE A 66 3.507 3.430 1.665 1.00 0.00 C ATOM 965 CD1 ILE A 66 3.961 5.158 4.106 1.00 0.00 C ATOM 0 H ILE A 66 6.014 3.602 3.321 1.00 0.00 H new ATOM 0 HA ILE A 66 6.011 4.684 0.585 1.00 0.00 H new ATOM 0 HB ILE A 66 3.791 5.283 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.004 6.701 2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.513 5.781 2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.419 3.498 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.847 2.841 0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.826 2.949 2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.569 5.824 4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.531 4.164 4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.046 5.099 4.196 1.00 0.00 H new ATOM 977 N LYS A 67 6.083 7.137 1.545 1.00 0.00 N ATOM 978 CA LYS A 67 6.565 8.417 2.051 1.00 0.00 C ATOM 979 C LYS A 67 5.458 9.160 2.793 1.00 0.00 C ATOM 980 O LYS A 67 4.456 9.557 2.198 1.00 0.00 O ATOM 981 CB LYS A 67 7.089 9.279 0.899 1.00 0.00 C ATOM 982 CG LYS A 67 7.794 10.543 1.358 1.00 0.00 C ATOM 983 CD LYS A 67 9.114 10.228 2.042 1.00 0.00 C ATOM 984 CE LYS A 67 9.576 11.381 2.921 1.00 0.00 C ATOM 985 NZ LYS A 67 9.916 12.588 2.118 1.00 0.00 N ATOM 0 H LYS A 67 5.666 7.181 0.615 1.00 0.00 H new ATOM 0 HA LYS A 67 7.378 8.221 2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.778 8.687 0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.255 9.552 0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.973 11.192 0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.149 11.092 2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.005 9.328 2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.873 10.016 1.289 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.792 11.629 3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.447 11.071 3.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.226 13.351 2.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.682 12.358 1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.078 12.899 1.587 1.00 0.00 H new ATOM 999 N TYR A 68 5.648 9.346 4.095 1.00 0.00 N ATOM 1000 CA TYR A 68 4.665 10.041 4.918 1.00 0.00 C ATOM 1001 C TYR A 68 5.349 10.851 6.015 1.00 0.00 C ATOM 1002 O TYR A 68 6.356 10.426 6.580 1.00 0.00 O ATOM 1003 CB TYR A 68 3.691 9.039 5.541 1.00 0.00 C ATOM 1004 CG TYR A 68 2.373 9.654 5.954 1.00 0.00 C ATOM 1005 CD1 TYR A 68 2.207 10.204 7.220 1.00 0.00 C ATOM 1006 CD2 TYR A 68 1.293 9.683 5.081 1.00 0.00 C ATOM 1007 CE1 TYR A 68 1.005 10.766 7.602 1.00 0.00 C ATOM 1008 CE2 TYR A 68 0.087 10.245 5.454 1.00 0.00 C ATOM 1009 CZ TYR A 68 -0.052 10.785 6.716 1.00 0.00 C ATOM 1010 OH TYR A 68 -1.252 11.343 7.092 1.00 0.00 O ATOM 0 H TYR A 68 6.473 9.026 4.602 1.00 0.00 H new ATOM 0 HA TYR A 68 4.111 10.726 4.277 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.501 8.238 4.827 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.159 8.584 6.414 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.032 10.191 7.917 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.398 9.259 4.093 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.893 11.189 8.590 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.742 10.261 4.762 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.886 10.632 7.320 1.00 0.00 H new ATOM 1020 N ASN A 69 4.793 12.022 6.310 1.00 0.00 N ATOM 1021 CA ASN A 69 5.349 12.893 7.340 1.00 0.00 C ATOM 1022 C ASN A 69 6.843 13.111 7.120 1.00 0.00 C ATOM 1023 O ASN A 69 7.609 13.242 8.075 1.00 0.00 O ATOM 1024 CB ASN A 69 5.107 12.297 8.728 1.00 0.00 C ATOM 1025 CG ASN A 69 4.922 13.362 9.791 1.00 0.00 C ATOM 1026 OD1 ASN A 69 5.697 14.316 9.871 1.00 0.00 O ATOM 1027 ND2 ASN A 69 3.892 13.204 10.614 1.00 0.00 N ATOM 0 H ASN A 69 3.959 12.389 5.851 1.00 0.00 H new ATOM 0 HA ASN A 69 4.846 13.858 7.275 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.223 11.660 8.698 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.949 11.660 8.999 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.717 13.889 11.349 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.276 12.398 10.511 1.00 0.00 H new ATOM 1034 N VAL A 70 7.250 13.148 5.855 1.00 0.00 N ATOM 1035 CA VAL A 70 8.652 13.352 5.510 1.00 0.00 C ATOM 1036 C VAL A 70 9.510 12.183 5.983 1.00 0.00 C ATOM 1037 O VAL A 70 10.710 12.334 6.211 1.00 0.00 O ATOM 1038 CB VAL A 70 9.198 14.656 6.121 1.00 0.00 C ATOM 1039 CG1 VAL A 70 8.092 15.694 6.239 1.00 0.00 C ATOM 1040 CG2 VAL A 70 9.832 14.384 7.477 1.00 0.00 C ATOM 0 H VAL A 70 6.629 13.039 5.053 1.00 0.00 H new ATOM 0 HA VAL A 70 8.703 13.421 4.423 1.00 0.00 H new ATOM 0 HB VAL A 70 9.967 15.053 5.459 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.496 16.609 6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.688 15.909 5.250 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.298 15.309 6.879 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.213 15.316 7.894 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.085 13.963 8.150 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.653 13.677 7.359 1.00 0.00 H new ATOM 1050 N GLU A 71 8.886 11.019 6.129 1.00 0.00 N ATOM 1051 CA GLU A 71 9.593 9.825 6.576 1.00 0.00 C ATOM 1052 C GLU A 71 9.055 8.580 5.877 1.00 0.00 C ATOM 1053 O GLU A 71 7.860 8.478 5.599 1.00 0.00 O ATOM 1054 CB GLU A 71 9.464 9.667 8.093 1.00 0.00 C ATOM 1055 CG GLU A 71 8.121 10.119 8.641 1.00 0.00 C ATOM 1056 CD GLU A 71 8.077 10.112 10.156 1.00 0.00 C ATOM 1057 OE1 GLU A 71 9.156 10.058 10.782 1.00 0.00 O ATOM 1058 OE2 GLU A 71 6.962 10.160 10.717 1.00 0.00 O ATOM 0 H GLU A 71 7.893 10.877 5.944 1.00 0.00 H new ATOM 0 HA GLU A 71 10.646 9.939 6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.620 8.621 8.355 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.255 10.239 8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.905 11.124 8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.337 9.467 8.255 1.00 0.00 H new ATOM 1065 N VAL A 72 9.946 7.635 5.595 1.00 0.00 N ATOM 1066 CA VAL A 72 9.562 6.396 4.928 1.00 0.00 C ATOM 1067 C VAL A 72 9.059 5.365 5.933 1.00 0.00 C ATOM 1068 O VAL A 72 9.846 4.651 6.554 1.00 0.00 O ATOM 1069 CB VAL A 72 10.740 5.795 4.138 1.00 0.00 C ATOM 1070 CG1 VAL A 72 10.335 4.476 3.498 1.00 0.00 C ATOM 1071 CG2 VAL A 72 11.233 6.778 3.088 1.00 0.00 C ATOM 0 H VAL A 72 10.939 7.704 5.818 1.00 0.00 H new ATOM 0 HA VAL A 72 8.759 6.645 4.234 1.00 0.00 H new ATOM 0 HB VAL A 72 11.558 5.599 4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.179 4.066 2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.034 3.772 4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.501 4.643 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.065 6.337 2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.423 7.008 2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.565 7.695 3.575 1.00 0.00 H new ATOM 1081 N LYS A 73 7.741 5.291 6.087 1.00 0.00 N ATOM 1082 CA LYS A 73 7.130 4.346 7.014 1.00 0.00 C ATOM 1083 C LYS A 73 6.996 2.967 6.376 1.00 0.00 C ATOM 1084 O LYS A 73 6.749 2.883 5.174 1.00 0.00 O ATOM 1085 CB LYS A 73 5.756 4.851 7.457 1.00 0.00 C ATOM 1086 CG LYS A 73 5.734 6.329 7.808 1.00 0.00 C ATOM 1087 CD LYS A 73 6.354 6.587 9.172 1.00 0.00 C ATOM 1088 CE LYS A 73 5.674 7.748 9.882 1.00 0.00 C ATOM 1089 NZ LYS A 73 6.130 7.878 11.294 1.00 0.00 N ATOM 0 H LYS A 73 7.075 5.875 5.581 1.00 0.00 H new ATOM 0 HA LYS A 73 7.777 4.261 7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.036 4.665 6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.429 4.276 8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.276 6.893 7.048 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.706 6.691 7.800 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.276 5.689 9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.416 6.802 9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.883 8.674 9.346 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.594 7.604 9.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.318 7.759 11.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.841 7.147 11.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.549 8.819 11.438 1.00 0.00 H new ATOM 1103 N HIS A 74 7.157 1.930 7.184 1.00 0.00 N ATOM 1104 CA HIS A 74 7.049 0.569 6.686 1.00 0.00 C ATOM 1105 C HIS A 74 5.828 -0.110 7.308 1.00 0.00 C ATOM 1106 O HIS A 74 5.417 0.188 8.430 1.00 0.00 O ATOM 1107 CB HIS A 74 8.347 -0.203 6.931 1.00 0.00 C ATOM 1108 CG HIS A 74 9.598 0.616 6.721 1.00 0.00 C ATOM 1109 ND1 HIS A 74 10.166 0.811 5.474 1.00 0.00 N ATOM 1110 CD2 HIS A 74 10.383 1.287 7.611 1.00 0.00 C ATOM 1111 CE1 HIS A 74 11.244 1.567 5.620 1.00 0.00 C ATOM 1112 NE2 HIS A 74 11.378 1.860 6.945 1.00 0.00 N ATOM 0 H HIS A 74 7.361 2.005 8.181 1.00 0.00 H new ATOM 0 HA HIS A 74 6.901 0.583 5.606 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.343 -0.586 7.952 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.375 -1.067 6.267 1.00 0.00 H new ATOM 0 HD1 HIS A 74 9.814 0.436 4.593 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.222 1.343 8.678 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.902 1.894 4.828 1.00 0.00 H new ATOM 1120 N ILE A 75 5.254 -1.037 6.549 1.00 0.00 N ATOM 1121 CA ILE A 75 4.081 -1.775 7.002 1.00 0.00 C ATOM 1122 C ILE A 75 4.311 -3.280 6.914 1.00 0.00 C ATOM 1123 O ILE A 75 4.126 -3.887 5.858 1.00 0.00 O ATOM 1124 CB ILE A 75 2.832 -1.409 6.178 1.00 0.00 C ATOM 1125 CG1 ILE A 75 2.761 0.105 5.966 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.574 -1.911 6.871 1.00 0.00 C ATOM 1127 CD1 ILE A 75 2.460 0.879 7.230 1.00 0.00 C ATOM 0 H ILE A 75 5.582 -1.295 5.618 1.00 0.00 H new ATOM 0 HA ILE A 75 3.915 -1.495 8.042 1.00 0.00 H new ATOM 0 HB ILE A 75 2.903 -1.892 5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.709 0.451 5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.993 0.324 5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.700 -1.645 6.276 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.625 -2.995 6.976 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.495 -1.454 7.857 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.425 1.945 7.004 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.498 0.561 7.631 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.240 0.690 7.967 1.00 0.00 H new ATOM 1139 N LYS A 76 4.714 -3.878 8.030 1.00 0.00 N ATOM 1140 CA LYS A 76 4.966 -5.314 8.081 1.00 0.00 C ATOM 1141 C LYS A 76 3.786 -6.094 7.511 1.00 0.00 C ATOM 1142 O LYS A 76 2.652 -5.942 7.965 1.00 0.00 O ATOM 1143 CB LYS A 76 5.234 -5.754 9.522 1.00 0.00 C ATOM 1144 CG LYS A 76 5.129 -7.255 9.729 1.00 0.00 C ATOM 1145 CD LYS A 76 5.846 -7.695 10.994 1.00 0.00 C ATOM 1146 CE LYS A 76 5.751 -9.200 11.194 1.00 0.00 C ATOM 1147 NZ LYS A 76 6.551 -9.945 10.183 1.00 0.00 N ATOM 0 H LYS A 76 4.873 -3.391 8.912 1.00 0.00 H new ATOM 0 HA LYS A 76 5.846 -5.525 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.231 -5.424 9.814 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.526 -5.254 10.183 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.079 -7.543 9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.555 -7.772 8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.894 -7.399 10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.414 -7.185 11.855 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.100 -9.456 12.194 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.708 -9.510 11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.586 -10.952 10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.110 -9.842 9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.517 -9.562 10.154 1.00 0.00 H new ATOM 1161 N ILE A 77 4.061 -6.930 6.515 1.00 0.00 N ATOM 1162 CA ILE A 77 3.023 -7.736 5.885 1.00 0.00 C ATOM 1163 C ILE A 77 3.058 -9.173 6.394 1.00 0.00 C ATOM 1164 O ILE A 77 4.085 -9.846 6.312 1.00 0.00 O ATOM 1165 CB ILE A 77 3.167 -7.742 4.352 1.00 0.00 C ATOM 1166 CG1 ILE A 77 3.161 -6.310 3.812 1.00 0.00 C ATOM 1167 CG2 ILE A 77 2.050 -8.558 3.718 1.00 0.00 C ATOM 1168 CD1 ILE A 77 3.429 -6.225 2.325 1.00 0.00 C ATOM 0 H ILE A 77 4.994 -7.067 6.127 1.00 0.00 H new ATOM 0 HA ILE A 77 2.068 -7.283 6.150 1.00 0.00 H new ATOM 0 HB ILE A 77 4.120 -8.204 4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.195 -5.853 4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.913 -5.727 4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.166 -8.553 2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.097 -9.584 4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.086 -8.123 3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.410 -5.181 2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.408 -6.652 2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.662 -6.780 1.785 1.00 0.00 H new ATOM 1180 N MET A 78 1.928 -9.637 6.918 1.00 0.00 N ATOM 1181 CA MET A 78 1.829 -10.996 7.437 1.00 0.00 C ATOM 1182 C MET A 78 1.058 -11.892 6.473 1.00 0.00 C ATOM 1183 O MET A 78 0.072 -11.468 5.869 1.00 0.00 O ATOM 1184 CB MET A 78 1.146 -10.993 8.806 1.00 0.00 C ATOM 1185 CG MET A 78 1.720 -9.967 9.770 1.00 0.00 C ATOM 1186 SD MET A 78 1.561 -10.469 11.494 1.00 0.00 S ATOM 1187 CE MET A 78 -0.014 -9.728 11.919 1.00 0.00 C ATOM 0 H MET A 78 1.069 -9.092 6.994 1.00 0.00 H new ATOM 0 HA MET A 78 2.839 -11.392 7.543 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.082 -10.798 8.672 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.234 -11.985 9.249 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.773 -9.806 9.538 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.212 -9.014 9.625 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.252 -9.951 12.959 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.044 -8.648 11.783 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.793 -10.134 11.274 1.00 0.00 H new ATOM 1197 N THR A 79 1.514 -13.133 6.332 1.00 0.00 N ATOM 1198 CA THR A 79 0.868 -14.087 5.440 1.00 0.00 C ATOM 1199 C THR A 79 0.287 -15.262 6.219 1.00 0.00 C ATOM 1200 O THR A 79 0.970 -15.871 7.042 1.00 0.00 O ATOM 1201 CB THR A 79 1.852 -14.623 4.383 1.00 0.00 C ATOM 1202 OG1 THR A 79 3.159 -14.754 4.952 1.00 0.00 O ATOM 1203 CG2 THR A 79 1.908 -13.697 3.177 1.00 0.00 C ATOM 0 H THR A 79 2.328 -13.500 6.824 1.00 0.00 H new ATOM 0 HA THR A 79 0.061 -13.553 4.937 1.00 0.00 H new ATOM 0 HB THR A 79 1.500 -15.601 4.054 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.778 -15.097 4.274 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.609 -14.096 2.444 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.917 -13.623 2.729 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.238 -12.707 3.493 1.00 0.00 H new ATOM 1211 N ALA A 80 -0.977 -15.575 5.953 1.00 0.00 N ATOM 1212 CA ALA A 80 -1.648 -16.679 6.628 1.00 0.00 C ATOM 1213 C ALA A 80 -2.611 -17.393 5.686 1.00 0.00 C ATOM 1214 O ALA A 80 -3.532 -16.782 5.146 1.00 0.00 O ATOM 1215 CB ALA A 80 -2.387 -16.174 7.859 1.00 0.00 C ATOM 0 H ALA A 80 -1.557 -15.080 5.275 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.890 -17.396 6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.884 -17.009 8.353 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.677 -15.715 8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.131 -15.436 7.559 1.00 0.00 H new ATOM 1221 N GLU A 81 -2.392 -18.690 5.495 1.00 0.00 N ATOM 1222 CA GLU A 81 -3.240 -19.487 4.616 1.00 0.00 C ATOM 1223 C GLU A 81 -3.120 -19.015 3.170 1.00 0.00 C ATOM 1224 O GLU A 81 -4.032 -19.206 2.366 1.00 0.00 O ATOM 1225 CB GLU A 81 -4.699 -19.407 5.071 1.00 0.00 C ATOM 1226 CG GLU A 81 -4.871 -19.462 6.579 1.00 0.00 C ATOM 1227 CD GLU A 81 -4.554 -20.830 7.153 1.00 0.00 C ATOM 1228 OE1 GLU A 81 -3.372 -21.082 7.465 1.00 0.00 O ATOM 1229 OE2 GLU A 81 -5.488 -21.647 7.289 1.00 0.00 O ATOM 0 H GLU A 81 -1.635 -19.211 5.937 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.905 -20.523 4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.137 -18.481 4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.257 -20.228 4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.222 -18.719 7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.896 -19.194 6.834 1.00 0.00 H new ATOM 1236 N GLY A 82 -1.988 -18.398 2.846 1.00 0.00 N ATOM 1237 CA GLY A 82 -1.769 -17.908 1.498 1.00 0.00 C ATOM 1238 C GLY A 82 -2.245 -16.481 1.315 1.00 0.00 C ATOM 1239 O GLY A 82 -1.963 -15.851 0.295 1.00 0.00 O ATOM 0 H GLY A 82 -1.218 -18.229 3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.707 -17.966 1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.289 -18.555 0.791 1.00 0.00 H new ATOM 1243 N LEU A 83 -2.969 -15.970 2.304 1.00 0.00 N ATOM 1244 CA LEU A 83 -3.488 -14.607 2.248 1.00 0.00 C ATOM 1245 C LEU A 83 -2.439 -13.606 2.722 1.00 0.00 C ATOM 1246 O LEU A 83 -1.589 -13.928 3.553 1.00 0.00 O ATOM 1247 CB LEU A 83 -4.750 -14.485 3.103 1.00 0.00 C ATOM 1248 CG LEU A 83 -5.902 -15.422 2.737 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.689 -15.810 3.979 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -6.814 -14.769 1.708 1.00 0.00 C ATOM 0 H LEU A 83 -3.210 -16.478 3.155 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.737 -14.381 1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.479 -14.665 4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.109 -13.458 3.040 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.483 -16.328 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.505 -16.477 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.030 -16.318 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.097 -14.914 4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.628 -15.450 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.225 -13.847 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.243 -14.542 0.808 1.00 0.00 H new ATOM 1262 N TYR A 84 -2.507 -12.390 2.191 1.00 0.00 N ATOM 1263 CA TYR A 84 -1.564 -11.341 2.560 1.00 0.00 C ATOM 1264 C TYR A 84 -2.263 -10.228 3.335 1.00 0.00 C ATOM 1265 O TYR A 84 -3.248 -9.656 2.870 1.00 0.00 O ATOM 1266 CB TYR A 84 -0.896 -10.765 1.310 1.00 0.00 C ATOM 1267 CG TYR A 84 -0.052 -11.769 0.557 1.00 0.00 C ATOM 1268 CD1 TYR A 84 -0.643 -12.756 -0.222 1.00 0.00 C ATOM 1269 CD2 TYR A 84 1.335 -11.730 0.626 1.00 0.00 C ATOM 1270 CE1 TYR A 84 0.124 -13.676 -0.911 1.00 0.00 C ATOM 1271 CE2 TYR A 84 2.110 -12.645 -0.061 1.00 0.00 C ATOM 1272 CZ TYR A 84 1.500 -13.616 -0.828 1.00 0.00 C ATOM 1273 OH TYR A 84 2.268 -14.529 -1.512 1.00 0.00 O ATOM 0 H TYR A 84 -3.205 -12.107 1.504 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.801 -11.782 3.202 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.666 -10.377 0.643 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.270 -9.921 1.599 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.720 -12.805 -0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.816 -10.972 1.227 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.351 -14.438 -1.511 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.187 -12.600 0.002 1.00 0.00 H new ATOM 0 HH TYR A 84 3.217 -14.347 -1.348 1.00 0.00 H new ATOM 1283 N ARG A 85 -1.744 -9.927 4.521 1.00 0.00 N ATOM 1284 CA ARG A 85 -2.317 -8.884 5.363 1.00 0.00 C ATOM 1285 C ARG A 85 -1.320 -8.437 6.429 1.00 0.00 C ATOM 1286 O ARG A 85 -0.683 -9.263 7.082 1.00 0.00 O ATOM 1287 CB ARG A 85 -3.601 -9.384 6.028 1.00 0.00 C ATOM 1288 CG ARG A 85 -3.482 -10.783 6.609 1.00 0.00 C ATOM 1289 CD ARG A 85 -4.639 -11.099 7.544 1.00 0.00 C ATOM 1290 NE ARG A 85 -4.333 -12.216 8.434 1.00 0.00 N ATOM 1291 CZ ARG A 85 -5.261 -12.930 9.062 1.00 0.00 C ATOM 1292 NH1 ARG A 85 -6.545 -12.646 8.897 1.00 0.00 N ATOM 1293 NH2 ARG A 85 -4.904 -13.931 9.856 1.00 0.00 N ATOM 0 H ARG A 85 -0.928 -10.391 4.920 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.553 -8.029 4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.881 -8.693 6.823 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.408 -9.372 5.295 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.457 -11.513 5.800 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.540 -10.874 7.150 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.877 -10.217 8.138 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.526 -11.336 6.956 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.354 -12.461 8.581 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.823 -11.878 8.287 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.255 -13.196 9.380 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.917 -14.153 9.985 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.617 -14.479 10.338 1.00 0.00 H new ATOM 1307 N ILE A 86 -1.192 -7.125 6.598 1.00 0.00 N ATOM 1308 CA ILE A 86 -0.274 -6.569 7.584 1.00 0.00 C ATOM 1309 C ILE A 86 -0.830 -6.715 8.996 1.00 0.00 C ATOM 1310 O ILE A 86 -0.089 -6.650 9.978 1.00 0.00 O ATOM 1311 CB ILE A 86 0.014 -5.081 7.309 1.00 0.00 C ATOM 1312 CG1 ILE A 86 -1.235 -4.239 7.577 1.00 0.00 C ATOM 1313 CG2 ILE A 86 0.491 -4.890 5.876 1.00 0.00 C ATOM 1314 CD1 ILE A 86 -0.930 -2.872 8.147 1.00 0.00 C ATOM 0 H ILE A 86 -1.712 -6.428 6.065 1.00 0.00 H new ATOM 0 HA ILE A 86 0.656 -7.132 7.502 1.00 0.00 H new ATOM 0 HB ILE A 86 0.804 -4.749 7.982 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.790 -4.120 6.646 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.884 -4.776 8.269 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.690 -3.834 5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.404 -5.464 5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.279 -5.236 5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.861 -2.330 8.312 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.402 -2.982 9.094 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.307 -2.316 7.446 1.00 0.00 H new ATOM 1326 N THR A 87 -2.141 -6.913 9.093 1.00 0.00 N ATOM 1327 CA THR A 87 -2.797 -7.069 10.385 1.00 0.00 C ATOM 1328 C THR A 87 -3.817 -8.202 10.350 1.00 0.00 C ATOM 1329 O THR A 87 -4.439 -8.457 9.320 1.00 0.00 O ATOM 1330 CB THR A 87 -3.504 -5.770 10.816 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.161 -5.964 12.074 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.519 -5.333 9.770 1.00 0.00 C ATOM 0 H THR A 87 -2.769 -6.969 8.292 1.00 0.00 H new ATOM 0 HA THR A 87 -2.018 -7.307 11.109 1.00 0.00 H new ATOM 0 HB THR A 87 -2.751 -4.989 10.917 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.607 -5.133 12.342 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.005 -4.414 10.097 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.011 -5.158 8.821 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.268 -6.114 9.642 1.00 0.00 H new ATOM 1340 N GLU A 88 -3.983 -8.877 11.483 1.00 0.00 N ATOM 1341 CA GLU A 88 -4.929 -9.983 11.581 1.00 0.00 C ATOM 1342 C GLU A 88 -6.360 -9.467 11.691 1.00 0.00 C ATOM 1343 O GLU A 88 -7.152 -9.965 12.492 1.00 0.00 O ATOM 1344 CB GLU A 88 -4.597 -10.861 12.789 1.00 0.00 C ATOM 1345 CG GLU A 88 -4.948 -10.221 14.122 1.00 0.00 C ATOM 1346 CD GLU A 88 -4.569 -8.754 14.182 1.00 0.00 C ATOM 1347 OE1 GLU A 88 -3.366 -8.445 14.053 1.00 0.00 O ATOM 1348 OE2 GLU A 88 -5.476 -7.914 14.357 1.00 0.00 O ATOM 0 H GLU A 88 -3.475 -8.678 12.345 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.846 -10.580 10.673 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.131 -11.807 12.698 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.532 -11.094 12.777 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.019 -10.323 14.299 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.439 -10.757 14.923 1.00 0.00 H new ATOM 1355 N LYS A 89 -6.685 -8.464 10.882 1.00 0.00 N ATOM 1356 CA LYS A 89 -8.021 -7.879 10.886 1.00 0.00 C ATOM 1357 C LYS A 89 -8.744 -8.164 9.574 1.00 0.00 C ATOM 1358 O LYS A 89 -9.953 -8.395 9.557 1.00 0.00 O ATOM 1359 CB LYS A 89 -7.938 -6.369 11.117 1.00 0.00 C ATOM 1360 CG LYS A 89 -7.577 -5.990 12.543 1.00 0.00 C ATOM 1361 CD LYS A 89 -7.829 -4.516 12.810 1.00 0.00 C ATOM 1362 CE LYS A 89 -9.281 -4.257 13.181 1.00 0.00 C ATOM 1363 NZ LYS A 89 -9.602 -2.802 13.182 1.00 0.00 N ATOM 0 H LYS A 89 -6.041 -8.039 10.215 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.587 -8.334 11.699 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.196 -5.947 10.439 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.897 -5.918 10.862 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.161 -6.592 13.239 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.527 -6.220 12.727 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.180 -4.175 13.617 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.569 -3.935 11.925 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.933 -4.772 12.476 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.484 -4.674 14.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.600 -2.667 13.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.997 -2.314 13.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.433 -2.409 12.234 1.00 0.00 H new ATOM 1377 N LYS A 90 -7.996 -8.149 8.476 1.00 0.00 N ATOM 1378 CA LYS A 90 -8.564 -8.409 7.159 1.00 0.00 C ATOM 1379 C LYS A 90 -7.522 -9.018 6.227 1.00 0.00 C ATOM 1380 O LYS A 90 -6.440 -8.461 6.041 1.00 0.00 O ATOM 1381 CB LYS A 90 -9.111 -7.114 6.552 1.00 0.00 C ATOM 1382 CG LYS A 90 -9.626 -7.277 5.133 1.00 0.00 C ATOM 1383 CD LYS A 90 -11.069 -7.753 5.114 1.00 0.00 C ATOM 1384 CE LYS A 90 -11.807 -7.244 3.885 1.00 0.00 C ATOM 1385 NZ LYS A 90 -13.284 -7.351 4.042 1.00 0.00 N ATOM 0 H LYS A 90 -6.994 -7.959 8.472 1.00 0.00 H new ATOM 0 HA LYS A 90 -9.380 -9.121 7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.918 -6.740 7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.325 -6.359 6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.549 -6.326 4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.000 -7.990 4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.094 -8.843 5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.579 -7.409 6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.535 -6.204 3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.492 -7.814 3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.751 -6.994 3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.546 -8.346 4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.588 -6.787 4.861 1.00 0.00 H new ATOM 1399 N ALA A 91 -7.855 -10.164 5.642 1.00 0.00 N ATOM 1400 CA ALA A 91 -6.949 -10.847 4.727 1.00 0.00 C ATOM 1401 C ALA A 91 -7.462 -10.778 3.293 1.00 0.00 C ATOM 1402 O ALA A 91 -8.667 -10.685 3.059 1.00 0.00 O ATOM 1403 CB ALA A 91 -6.760 -12.295 5.154 1.00 0.00 C ATOM 0 H ALA A 91 -8.746 -10.639 5.786 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.985 -10.341 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -6.081 -12.793 4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.340 -12.326 6.159 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.723 -12.805 5.147 1.00 0.00 H new ATOM 1409 N PHE A 92 -6.541 -10.824 2.337 1.00 0.00 N ATOM 1410 CA PHE A 92 -6.901 -10.765 0.925 1.00 0.00 C ATOM 1411 C PHE A 92 -6.175 -11.849 0.133 1.00 0.00 C ATOM 1412 O PHE A 92 -5.133 -12.349 0.556 1.00 0.00 O ATOM 1413 CB PHE A 92 -6.568 -9.388 0.349 1.00 0.00 C ATOM 1414 CG PHE A 92 -7.195 -8.253 1.107 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -6.800 -7.968 2.404 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -8.179 -7.472 0.523 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -7.376 -6.925 3.104 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -8.758 -6.427 1.218 1.00 0.00 C ATOM 1419 CZ PHE A 92 -8.355 -6.153 2.510 1.00 0.00 C ATOM 0 H PHE A 92 -5.539 -10.902 2.514 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.974 -10.936 0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.486 -9.257 0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.899 -9.348 -0.689 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.034 -8.567 2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.497 -7.682 -0.487 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.061 -6.714 4.115 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.524 -5.826 0.751 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.805 -5.336 3.055 1.00 0.00 H new ATOM 1429 N ARG A 93 -6.735 -12.208 -1.018 1.00 0.00 N ATOM 1430 CA ARG A 93 -6.143 -13.234 -1.868 1.00 0.00 C ATOM 1431 C ARG A 93 -4.667 -12.945 -2.121 1.00 0.00 C ATOM 1432 O ARG A 93 -3.827 -13.842 -2.050 1.00 0.00 O ATOM 1433 CB ARG A 93 -6.892 -13.317 -3.200 1.00 0.00 C ATOM 1434 CG ARG A 93 -8.381 -13.585 -3.045 1.00 0.00 C ATOM 1435 CD ARG A 93 -8.681 -15.075 -3.044 1.00 0.00 C ATOM 1436 NE ARG A 93 -8.491 -15.674 -4.362 1.00 0.00 N ATOM 1437 CZ ARG A 93 -9.422 -15.677 -5.309 1.00 0.00 C ATOM 1438 NH1 ARG A 93 -10.603 -15.117 -5.085 1.00 0.00 N ATOM 1439 NH2 ARG A 93 -9.174 -16.242 -6.484 1.00 0.00 N ATOM 0 H ARG A 93 -7.597 -11.804 -1.383 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.225 -14.190 -1.351 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.754 -12.382 -3.744 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.450 -14.107 -3.807 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.737 -13.140 -2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.925 -13.104 -3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.034 -15.574 -2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.708 -15.237 -2.717 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.594 -16.114 -4.567 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.798 -14.682 -4.183 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.316 -15.121 -5.814 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.267 -16.675 -6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.890 -16.244 -7.210 1.00 0.00 H new ATOM 1453 N GLY A 94 -4.357 -11.686 -2.415 1.00 0.00 N ATOM 1454 CA GLY A 94 -2.981 -11.302 -2.674 1.00 0.00 C ATOM 1455 C GLY A 94 -2.731 -9.830 -2.410 1.00 0.00 C ATOM 1456 O GLY A 94 -3.647 -9.092 -2.046 1.00 0.00 O ATOM 0 H GLY A 94 -5.034 -10.925 -2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.317 -11.898 -2.049 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.732 -11.530 -3.711 1.00 0.00 H new ATOM 1460 N LEU A 95 -1.487 -9.402 -2.592 1.00 0.00 N ATOM 1461 CA LEU A 95 -1.117 -8.008 -2.370 1.00 0.00 C ATOM 1462 C LEU A 95 -2.064 -7.069 -3.110 1.00 0.00 C ATOM 1463 O LEU A 95 -2.796 -6.294 -2.493 1.00 0.00 O ATOM 1464 CB LEU A 95 0.322 -7.763 -2.825 1.00 0.00 C ATOM 1465 CG LEU A 95 1.410 -8.024 -1.782 1.00 0.00 C ATOM 1466 CD1 LEU A 95 1.541 -6.838 -0.839 1.00 0.00 C ATOM 1467 CD2 LEU A 95 1.108 -9.296 -1.004 1.00 0.00 C ATOM 0 H LEU A 95 -0.717 -10.000 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.193 -7.803 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.520 -8.393 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.406 -6.728 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 95 2.360 -8.156 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.320 -7.042 -0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.804 -5.947 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.593 -6.674 -0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.892 -9.466 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.149 -9.193 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.066 -10.141 -1.691 1.00 0.00 H new ATOM 1479 N THR A 96 -2.046 -7.144 -4.437 1.00 0.00 N ATOM 1480 CA THR A 96 -2.903 -6.302 -5.262 1.00 0.00 C ATOM 1481 C THR A 96 -4.221 -6.002 -4.557 1.00 0.00 C ATOM 1482 O THR A 96 -4.690 -4.864 -4.558 1.00 0.00 O ATOM 1483 CB THR A 96 -3.200 -6.963 -6.621 1.00 0.00 C ATOM 1484 OG1 THR A 96 -1.992 -7.485 -7.186 1.00 0.00 O ATOM 1485 CG2 THR A 96 -3.826 -5.965 -7.583 1.00 0.00 C ATOM 0 H THR A 96 -1.447 -7.780 -4.964 1.00 0.00 H new ATOM 0 HA THR A 96 -2.363 -5.370 -5.430 1.00 0.00 H new ATOM 0 HB THR A 96 -3.906 -7.777 -6.458 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.307 -6.784 -7.198 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.027 -6.455 -8.536 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.760 -5.592 -7.163 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.140 -5.132 -7.740 1.00 0.00 H new ATOM 1493 N GLU A 97 -4.813 -7.030 -3.957 1.00 0.00 N ATOM 1494 CA GLU A 97 -6.078 -6.874 -3.248 1.00 0.00 C ATOM 1495 C GLU A 97 -5.867 -6.186 -1.902 1.00 0.00 C ATOM 1496 O GLU A 97 -6.399 -5.103 -1.656 1.00 0.00 O ATOM 1497 CB GLU A 97 -6.742 -8.237 -3.038 1.00 0.00 C ATOM 1498 CG GLU A 97 -7.047 -8.971 -4.333 1.00 0.00 C ATOM 1499 CD GLU A 97 -8.264 -8.415 -5.046 1.00 0.00 C ATOM 1500 OE1 GLU A 97 -8.152 -7.330 -5.653 1.00 0.00 O ATOM 1501 OE2 GLU A 97 -9.328 -9.067 -4.998 1.00 0.00 O ATOM 0 H GLU A 97 -4.438 -7.978 -3.948 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.731 -6.249 -3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.091 -8.858 -2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.669 -8.098 -2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.183 -8.908 -4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.208 -10.028 -4.118 1.00 0.00 H new ATOM 1508 N LEU A 98 -5.088 -6.822 -1.035 1.00 0.00 N ATOM 1509 CA LEU A 98 -4.806 -6.273 0.286 1.00 0.00 C ATOM 1510 C LEU A 98 -4.510 -4.779 0.204 1.00 0.00 C ATOM 1511 O LEU A 98 -4.971 -3.997 1.035 1.00 0.00 O ATOM 1512 CB LEU A 98 -3.622 -7.004 0.922 1.00 0.00 C ATOM 1513 CG LEU A 98 -3.134 -6.453 2.262 1.00 0.00 C ATOM 1514 CD1 LEU A 98 -2.400 -5.136 2.062 1.00 0.00 C ATOM 1515 CD2 LEU A 98 -4.301 -6.274 3.223 1.00 0.00 C ATOM 0 H LEU A 98 -4.640 -7.719 -1.223 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.690 -6.416 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.898 -8.049 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.789 -6.985 0.219 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.439 -7.171 2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.060 -4.759 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.540 -5.294 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.073 -4.410 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.934 -5.881 4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.021 -5.576 2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.784 -7.236 3.392 1.00 0.00 H new ATOM 1527 N VAL A 99 -3.740 -4.388 -0.807 1.00 0.00 N ATOM 1528 CA VAL A 99 -3.386 -2.988 -1.002 1.00 0.00 C ATOM 1529 C VAL A 99 -4.593 -2.173 -1.453 1.00 0.00 C ATOM 1530 O VAL A 99 -4.796 -1.046 -1.002 1.00 0.00 O ATOM 1531 CB VAL A 99 -2.259 -2.833 -2.040 1.00 0.00 C ATOM 1532 CG1 VAL A 99 -1.866 -1.371 -2.188 1.00 0.00 C ATOM 1533 CG2 VAL A 99 -1.056 -3.679 -1.651 1.00 0.00 C ATOM 0 H VAL A 99 -3.350 -5.022 -1.504 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.037 -2.613 -0.040 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.626 -3.185 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.068 -1.281 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.730 -0.793 -2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.517 -0.989 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.269 -3.557 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.686 -3.359 -0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.349 -4.728 -1.601 1.00 0.00 H new ATOM 1543 N GLU A 100 -5.391 -2.751 -2.345 1.00 0.00 N ATOM 1544 CA GLU A 100 -6.578 -2.078 -2.857 1.00 0.00 C ATOM 1545 C GLU A 100 -7.449 -1.566 -1.713 1.00 0.00 C ATOM 1546 O GLU A 100 -8.048 -0.494 -1.805 1.00 0.00 O ATOM 1547 CB GLU A 100 -7.388 -3.026 -3.744 1.00 0.00 C ATOM 1548 CG GLU A 100 -7.044 -2.921 -5.220 1.00 0.00 C ATOM 1549 CD GLU A 100 -8.233 -3.205 -6.117 1.00 0.00 C ATOM 1550 OE1 GLU A 100 -9.302 -2.601 -5.895 1.00 0.00 O ATOM 1551 OE2 GLU A 100 -8.093 -4.033 -7.042 1.00 0.00 O ATOM 0 H GLU A 100 -5.237 -3.684 -2.728 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.252 -1.226 -3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.222 -4.051 -3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.449 -2.816 -3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.665 -1.921 -5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.242 -3.621 -5.453 1.00 0.00 H new ATOM 1558 N PHE A 101 -7.516 -2.341 -0.636 1.00 0.00 N ATOM 1559 CA PHE A 101 -8.315 -1.968 0.526 1.00 0.00 C ATOM 1560 C PHE A 101 -7.694 -0.780 1.254 1.00 0.00 C ATOM 1561 O PHE A 101 -8.332 0.259 1.426 1.00 0.00 O ATOM 1562 CB PHE A 101 -8.447 -3.155 1.483 1.00 0.00 C ATOM 1563 CG PHE A 101 -9.551 -2.994 2.489 1.00 0.00 C ATOM 1564 CD1 PHE A 101 -10.877 -3.118 2.107 1.00 0.00 C ATOM 1565 CD2 PHE A 101 -9.262 -2.718 3.816 1.00 0.00 C ATOM 1566 CE1 PHE A 101 -11.896 -2.970 3.030 1.00 0.00 C ATOM 1567 CE2 PHE A 101 -10.277 -2.571 4.743 1.00 0.00 C ATOM 1568 CZ PHE A 101 -11.595 -2.696 4.350 1.00 0.00 C ATOM 0 H PHE A 101 -7.027 -3.231 -0.543 1.00 0.00 H new ATOM 0 HA PHE A 101 -9.306 -1.680 0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.624 -4.061 0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.503 -3.293 2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -11.118 -3.333 1.076 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.233 -2.617 4.129 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -12.926 -3.068 2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -10.039 -2.358 5.775 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.389 -2.580 5.073 1.00 0.00 H new ATOM 1578 N TYR A 102 -6.446 -0.941 1.680 1.00 0.00 N ATOM 1579 CA TYR A 102 -5.739 0.117 2.392 1.00 0.00 C ATOM 1580 C TYR A 102 -5.728 1.408 1.580 1.00 0.00 C ATOM 1581 O TYR A 102 -5.482 2.488 2.115 1.00 0.00 O ATOM 1582 CB TYR A 102 -4.305 -0.317 2.699 1.00 0.00 C ATOM 1583 CG TYR A 102 -4.213 -1.414 3.737 1.00 0.00 C ATOM 1584 CD1 TYR A 102 -5.083 -1.448 4.819 1.00 0.00 C ATOM 1585 CD2 TYR A 102 -3.257 -2.417 3.633 1.00 0.00 C ATOM 1586 CE1 TYR A 102 -5.002 -2.447 5.769 1.00 0.00 C ATOM 1587 CE2 TYR A 102 -3.169 -3.421 4.578 1.00 0.00 C ATOM 1588 CZ TYR A 102 -4.044 -3.432 5.644 1.00 0.00 C ATOM 1589 OH TYR A 102 -3.961 -4.430 6.588 1.00 0.00 O ATOM 0 H TYR A 102 -5.903 -1.794 1.545 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.264 0.303 3.329 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.833 -0.659 1.778 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.739 0.548 3.045 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.836 -0.680 4.919 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.571 -2.412 2.799 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.685 -2.457 6.606 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.419 -4.193 4.483 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.402 -5.237 6.250 1.00 0.00 H new ATOM 1599 N GLN A 103 -5.998 1.286 0.284 1.00 0.00 N ATOM 1600 CA GLN A 103 -6.020 2.443 -0.603 1.00 0.00 C ATOM 1601 C GLN A 103 -7.250 3.306 -0.342 1.00 0.00 C ATOM 1602 O GLN A 103 -7.321 4.451 -0.789 1.00 0.00 O ATOM 1603 CB GLN A 103 -5.999 1.992 -2.065 1.00 0.00 C ATOM 1604 CG GLN A 103 -4.617 1.598 -2.560 1.00 0.00 C ATOM 1605 CD GLN A 103 -4.648 0.979 -3.943 1.00 0.00 C ATOM 1606 OE1 GLN A 103 -5.703 0.884 -4.570 1.00 0.00 O ATOM 1607 NE2 GLN A 103 -3.487 0.553 -4.428 1.00 0.00 N ATOM 0 H GLN A 103 -6.204 0.399 -0.174 1.00 0.00 H new ATOM 0 HA GLN A 103 -5.131 3.040 -0.402 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.674 1.145 -2.185 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.384 2.797 -2.691 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -3.975 2.479 -2.575 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.172 0.891 -1.860 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.636 0.651 -3.874 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.446 0.128 -5.354 1.00 0.00 H new ATOM 1616 N GLN A 104 -8.215 2.749 0.382 1.00 0.00 N ATOM 1617 CA GLN A 104 -9.442 3.468 0.701 1.00 0.00 C ATOM 1618 C GLN A 104 -9.597 3.640 2.208 1.00 0.00 C ATOM 1619 O GLN A 104 -10.479 4.360 2.674 1.00 0.00 O ATOM 1620 CB GLN A 104 -10.654 2.728 0.132 1.00 0.00 C ATOM 1621 CG GLN A 104 -10.452 1.226 0.019 1.00 0.00 C ATOM 1622 CD GLN A 104 -11.445 0.572 -0.920 1.00 0.00 C ATOM 1623 OE1 GLN A 104 -11.111 0.227 -2.054 1.00 0.00 O ATOM 1624 NE2 GLN A 104 -12.676 0.398 -0.453 1.00 0.00 N ATOM 0 H GLN A 104 -8.171 1.802 0.759 1.00 0.00 H new ATOM 0 HA GLN A 104 -9.382 4.457 0.246 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -11.519 2.923 0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -10.885 3.130 -0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -9.440 1.025 -0.332 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -10.542 0.776 1.008 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -12.910 0.699 0.493 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -13.388 -0.036 -1.040 1.00 0.00 H new ATOM 1633 N ASN A 105 -8.734 2.972 2.967 1.00 0.00 N ATOM 1634 CA ASN A 105 -8.775 3.050 4.422 1.00 0.00 C ATOM 1635 C ASN A 105 -7.382 3.293 4.994 1.00 0.00 C ATOM 1636 O ASN A 105 -6.403 2.697 4.546 1.00 0.00 O ATOM 1637 CB ASN A 105 -9.361 1.762 5.006 1.00 0.00 C ATOM 1638 CG ASN A 105 -9.163 0.570 4.090 1.00 0.00 C ATOM 1639 OD1 ASN A 105 -8.235 -0.219 4.270 1.00 0.00 O ATOM 1640 ND2 ASN A 105 -10.037 0.434 3.099 1.00 0.00 N ATOM 0 H ASN A 105 -7.998 2.370 2.598 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.413 3.890 4.698 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.894 1.558 5.970 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -10.426 1.902 5.191 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -9.954 -0.348 2.450 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -10.791 1.112 2.987 1.00 0.00 H new ATOM 1647 N SER A 106 -7.302 4.173 5.988 1.00 0.00 N ATOM 1648 CA SER A 106 -6.028 4.498 6.619 1.00 0.00 C ATOM 1649 C SER A 106 -5.390 3.253 7.228 1.00 0.00 C ATOM 1650 O SER A 106 -6.080 2.391 7.774 1.00 0.00 O ATOM 1651 CB SER A 106 -6.228 5.563 7.700 1.00 0.00 C ATOM 1652 OG SER A 106 -4.990 6.135 8.086 1.00 0.00 O ATOM 0 H SER A 106 -8.103 4.673 6.373 1.00 0.00 H new ATOM 0 HA SER A 106 -5.360 4.889 5.852 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.893 6.343 7.328 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.713 5.118 8.569 1.00 0.00 H new ATOM 0 HG SER A 106 -5.101 7.100 8.215 1.00 0.00 H new ATOM 1658 N LEU A 107 -4.068 3.165 7.130 1.00 0.00 N ATOM 1659 CA LEU A 107 -3.335 2.026 7.671 1.00 0.00 C ATOM 1660 C LEU A 107 -3.339 2.050 9.196 1.00 0.00 C ATOM 1661 O LEU A 107 -2.950 1.078 9.844 1.00 0.00 O ATOM 1662 CB LEU A 107 -1.895 2.029 7.153 1.00 0.00 C ATOM 1663 CG LEU A 107 -1.649 1.269 5.849 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -0.544 1.934 5.044 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -1.302 -0.185 6.137 1.00 0.00 C ATOM 0 H LEU A 107 -3.482 3.869 6.681 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.832 1.115 7.339 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.583 3.064 7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.252 1.605 7.924 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.565 1.293 5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.383 1.379 4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.832 2.958 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.377 1.942 5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.130 -0.711 5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.401 -0.230 6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.127 -0.657 6.671 1.00 0.00 H new ATOM 1677 N LYS A 108 -3.782 3.167 9.764 1.00 0.00 N ATOM 1678 CA LYS A 108 -3.841 3.317 11.213 1.00 0.00 C ATOM 1679 C LYS A 108 -4.344 2.038 11.873 1.00 0.00 C ATOM 1680 O LYS A 108 -3.932 1.696 12.981 1.00 0.00 O ATOM 1681 CB LYS A 108 -4.751 4.489 11.588 1.00 0.00 C ATOM 1682 CG LYS A 108 -6.230 4.149 11.544 1.00 0.00 C ATOM 1683 CD LYS A 108 -7.084 5.307 12.032 1.00 0.00 C ATOM 1684 CE LYS A 108 -8.467 5.286 11.400 1.00 0.00 C ATOM 1685 NZ LYS A 108 -9.404 4.402 12.147 1.00 0.00 N ATOM 0 H LYS A 108 -4.105 3.982 9.242 1.00 0.00 H new ATOM 0 HA LYS A 108 -2.832 3.518 11.574 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -4.495 4.830 12.591 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.557 5.320 10.910 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.515 3.891 10.524 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.421 3.270 12.160 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.178 5.259 13.117 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -6.590 6.249 11.796 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.869 6.299 11.371 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -8.390 4.944 10.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.336 4.415 11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.034 3.430 12.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.498 4.743 13.125 1.00 0.00 H new ATOM 1699 N ASP A 109 -5.237 1.334 11.185 1.00 0.00 N ATOM 1700 CA ASP A 109 -5.794 0.090 11.704 1.00 0.00 C ATOM 1701 C ASP A 109 -4.715 -0.748 12.382 1.00 0.00 C ATOM 1702 O ASP A 109 -4.948 -1.345 13.434 1.00 0.00 O ATOM 1703 CB ASP A 109 -6.446 -0.711 10.576 1.00 0.00 C ATOM 1704 CG ASP A 109 -7.610 0.025 9.941 1.00 0.00 C ATOM 1705 OD1 ASP A 109 -8.427 0.600 10.690 1.00 0.00 O ATOM 1706 OD2 ASP A 109 -7.704 0.025 8.696 1.00 0.00 O ATOM 0 H ASP A 109 -5.590 1.604 10.267 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.552 0.342 12.446 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.700 -0.932 9.813 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.794 -1.667 10.967 1.00 0.00 H new ATOM 1711 N CYS A 110 -3.535 -0.789 11.772 1.00 0.00 N ATOM 1712 CA CYS A 110 -2.420 -1.556 12.316 1.00 0.00 C ATOM 1713 C CYS A 110 -1.402 -0.637 12.982 1.00 0.00 C ATOM 1714 O CYS A 110 -0.731 -1.027 13.938 1.00 0.00 O ATOM 1715 CB CYS A 110 -1.746 -2.369 11.209 1.00 0.00 C ATOM 1716 SG CYS A 110 -0.682 -3.700 11.815 1.00 0.00 S ATOM 0 H CYS A 110 -3.326 -0.300 10.901 1.00 0.00 H new ATOM 0 HA CYS A 110 -2.813 -2.238 13.070 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -2.516 -2.797 10.567 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.152 -1.697 10.589 1.00 0.00 H new ATOM 0 HG CYS A 110 -0.629 -4.650 10.930 1.00 0.00 H new ATOM 1722 N PHE A 111 -1.290 0.584 12.470 1.00 0.00 N ATOM 1723 CA PHE A 111 -0.351 1.558 13.013 1.00 0.00 C ATOM 1724 C PHE A 111 -1.049 2.884 13.301 1.00 0.00 C ATOM 1725 O PHE A 111 -0.879 3.860 12.571 1.00 0.00 O ATOM 1726 CB PHE A 111 0.807 1.780 12.039 1.00 0.00 C ATOM 1727 CG PHE A 111 1.533 0.517 11.673 1.00 0.00 C ATOM 1728 CD1 PHE A 111 2.564 0.039 12.467 1.00 0.00 C ATOM 1729 CD2 PHE A 111 1.185 -0.194 10.535 1.00 0.00 C ATOM 1730 CE1 PHE A 111 3.234 -1.122 12.132 1.00 0.00 C ATOM 1731 CE2 PHE A 111 1.851 -1.356 10.195 1.00 0.00 C ATOM 1732 CZ PHE A 111 2.876 -1.821 10.995 1.00 0.00 C ATOM 0 H PHE A 111 -1.838 0.923 11.679 1.00 0.00 H new ATOM 0 HA PHE A 111 0.042 1.163 13.950 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.423 2.245 11.131 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.514 2.481 12.482 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.847 0.580 13.358 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.383 0.165 9.906 1.00 0.00 H new ATOM 0 HE1 PHE A 111 4.037 -1.483 12.758 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.570 -1.900 9.305 1.00 0.00 H new ATOM 0 HZ PHE A 111 3.397 -2.730 10.732 1.00 0.00 H new ATOM 1742 N LYS A 112 -1.836 2.911 14.372 1.00 0.00 N ATOM 1743 CA LYS A 112 -2.561 4.115 14.759 1.00 0.00 C ATOM 1744 C LYS A 112 -1.727 5.363 14.487 1.00 0.00 C ATOM 1745 O LYS A 112 -2.160 6.268 13.774 1.00 0.00 O ATOM 1746 CB LYS A 112 -2.938 4.054 16.241 1.00 0.00 C ATOM 1747 CG LYS A 112 -4.192 4.840 16.582 1.00 0.00 C ATOM 1748 CD LYS A 112 -5.447 4.112 16.130 1.00 0.00 C ATOM 1749 CE LYS A 112 -6.597 5.079 15.895 1.00 0.00 C ATOM 1750 NZ LYS A 112 -7.873 4.364 15.612 1.00 0.00 N ATOM 0 H LYS A 112 -1.988 2.112 14.987 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.471 4.169 14.161 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.083 3.012 16.528 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.107 4.436 16.835 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.236 5.008 17.658 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.148 5.820 16.108 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.239 3.562 15.212 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.735 3.379 16.883 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.723 5.714 16.772 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.355 5.735 15.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.633 5.057 15.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.761 3.778 14.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.118 3.757 16.420 1.00 0.00 H new ATOM 1764 N SER A 113 -0.527 5.404 15.059 1.00 0.00 N ATOM 1765 CA SER A 113 0.367 6.542 14.879 1.00 0.00 C ATOM 1766 C SER A 113 0.504 6.897 13.402 1.00 0.00 C ATOM 1767 O SER A 113 0.569 8.072 13.037 1.00 0.00 O ATOM 1768 CB SER A 113 1.744 6.234 15.471 1.00 0.00 C ATOM 1769 OG SER A 113 2.695 7.211 15.085 1.00 0.00 O ATOM 0 H SER A 113 -0.152 4.662 15.651 1.00 0.00 H new ATOM 0 HA SER A 113 -0.063 7.397 15.402 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.676 6.198 16.558 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.074 5.250 15.139 1.00 0.00 H new ATOM 0 HG SER A 113 3.566 6.993 15.477 1.00 0.00 H new ATOM 1775 N LEU A 114 0.548 5.874 12.555 1.00 0.00 N ATOM 1776 CA LEU A 114 0.678 6.077 11.117 1.00 0.00 C ATOM 1777 C LEU A 114 -0.689 6.057 10.439 1.00 0.00 C ATOM 1778 O LEU A 114 -1.231 4.991 10.144 1.00 0.00 O ATOM 1779 CB LEU A 114 1.577 4.999 10.509 1.00 0.00 C ATOM 1780 CG LEU A 114 1.669 4.984 8.983 1.00 0.00 C ATOM 1781 CD1 LEU A 114 1.959 6.379 8.451 1.00 0.00 C ATOM 1782 CD2 LEU A 114 2.737 4.003 8.523 1.00 0.00 C ATOM 0 H LEU A 114 0.496 4.896 12.840 1.00 0.00 H new ATOM 0 HA LEU A 114 1.131 7.055 10.952 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.582 5.122 10.912 1.00 0.00 H new ATOM 0 HB3 LEU A 114 1.218 4.025 10.841 1.00 0.00 H new ATOM 0 HG LEU A 114 0.708 4.658 8.584 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.021 6.348 7.363 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.159 7.056 8.750 1.00 0.00 H new ATOM 0 HD13 LEU A 114 2.906 6.734 8.858 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.789 4.005 7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.703 4.298 8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.486 3.001 8.872 1.00 0.00 H new ATOM 1794 N ASP A 115 -1.239 7.241 10.192 1.00 0.00 N ATOM 1795 CA ASP A 115 -2.540 7.359 9.546 1.00 0.00 C ATOM 1796 C ASP A 115 -2.385 7.753 8.080 1.00 0.00 C ATOM 1797 O ASP A 115 -2.697 8.879 7.692 1.00 0.00 O ATOM 1798 CB ASP A 115 -3.404 8.390 10.275 1.00 0.00 C ATOM 1799 CG ASP A 115 -3.256 8.307 11.781 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -3.962 7.485 12.402 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -2.435 9.065 12.340 1.00 0.00 O ATOM 0 H ASP A 115 -0.804 8.132 10.430 1.00 0.00 H new ATOM 0 HA ASP A 115 -3.031 6.387 9.593 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.131 9.391 9.940 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.450 8.239 10.007 1.00 0.00 H new ATOM 1806 N THR A 116 -1.900 6.818 7.269 1.00 0.00 N ATOM 1807 CA THR A 116 -1.701 7.067 5.847 1.00 0.00 C ATOM 1808 C THR A 116 -2.414 6.020 5.000 1.00 0.00 C ATOM 1809 O THR A 116 -3.001 5.074 5.527 1.00 0.00 O ATOM 1810 CB THR A 116 -0.205 7.074 5.482 1.00 0.00 C ATOM 1811 OG1 THR A 116 -0.029 7.547 4.142 1.00 0.00 O ATOM 1812 CG2 THR A 116 0.391 5.681 5.615 1.00 0.00 C ATOM 0 H THR A 116 -1.638 5.881 7.573 1.00 0.00 H new ATOM 0 HA THR A 116 -2.124 8.049 5.636 1.00 0.00 H new ATOM 0 HB THR A 116 0.311 7.741 6.173 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.086 8.525 4.130 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.448 5.711 5.352 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.282 5.335 6.643 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.130 4.997 4.945 1.00 0.00 H new ATOM 1820 N THR A 117 -2.360 6.193 3.683 1.00 0.00 N ATOM 1821 CA THR A 117 -3.001 5.263 2.763 1.00 0.00 C ATOM 1822 C THR A 117 -2.188 5.107 1.483 1.00 0.00 C ATOM 1823 O THR A 117 -1.449 6.011 1.091 1.00 0.00 O ATOM 1824 CB THR A 117 -4.426 5.724 2.400 1.00 0.00 C ATOM 1825 OG1 THR A 117 -4.418 7.113 2.054 1.00 0.00 O ATOM 1826 CG2 THR A 117 -5.382 5.490 3.560 1.00 0.00 C ATOM 0 H THR A 117 -1.878 6.970 3.230 1.00 0.00 H new ATOM 0 HA THR A 117 -3.057 4.302 3.274 1.00 0.00 H new ATOM 0 HB THR A 117 -4.767 5.139 1.546 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.327 7.398 1.823 1.00 0.00 H new ATOM 0 HG21 THR A 117 -6.382 5.823 3.281 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.408 4.427 3.802 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.043 6.052 4.430 1.00 0.00 H new ATOM 1834 N LEU A 118 -2.330 3.957 0.834 1.00 0.00 N ATOM 1835 CA LEU A 118 -1.609 3.683 -0.404 1.00 0.00 C ATOM 1836 C LEU A 118 -2.029 4.652 -1.505 1.00 0.00 C ATOM 1837 O LEU A 118 -3.091 4.499 -2.106 1.00 0.00 O ATOM 1838 CB LEU A 118 -1.857 2.243 -0.855 1.00 0.00 C ATOM 1839 CG LEU A 118 -1.363 1.148 0.092 1.00 0.00 C ATOM 1840 CD1 LEU A 118 0.114 1.338 0.402 1.00 0.00 C ATOM 1841 CD2 LEU A 118 -2.182 1.142 1.374 1.00 0.00 C ATOM 0 H LEU A 118 -2.938 3.199 1.144 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.545 3.819 -0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.928 2.110 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.380 2.100 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.489 0.184 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.448 0.550 1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.689 1.292 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.265 2.309 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.816 0.357 2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -2.088 2.108 1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.229 0.957 1.136 1.00 0.00 H new ATOM 1853 N GLN A 119 -1.186 5.647 -1.764 1.00 0.00 N ATOM 1854 CA GLN A 119 -1.470 6.639 -2.793 1.00 0.00 C ATOM 1855 C GLN A 119 -1.055 6.130 -4.170 1.00 0.00 C ATOM 1856 O GLN A 119 -1.899 5.773 -4.992 1.00 0.00 O ATOM 1857 CB GLN A 119 -0.745 7.950 -2.482 1.00 0.00 C ATOM 1858 CG GLN A 119 -0.888 8.395 -1.035 1.00 0.00 C ATOM 1859 CD GLN A 119 -0.872 9.903 -0.884 1.00 0.00 C ATOM 1860 OE1 GLN A 119 -0.607 10.632 -1.841 1.00 0.00 O ATOM 1861 NE2 GLN A 119 -1.158 10.381 0.322 1.00 0.00 N ATOM 0 H GLN A 119 -0.302 5.787 -1.275 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.545 6.819 -2.801 1.00 0.00 H new ATOM 0 HB2 GLN A 119 0.313 7.835 -2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.131 8.733 -3.134 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.820 8.003 -0.629 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -0.078 7.966 -0.445 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -1.372 9.741 1.087 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -1.164 11.388 0.483 1.00 0.00 H new ATOM 1870 N PHE A 120 0.251 6.099 -4.415 1.00 0.00 N ATOM 1871 CA PHE A 120 0.778 5.634 -5.692 1.00 0.00 C ATOM 1872 C PHE A 120 2.072 4.850 -5.494 1.00 0.00 C ATOM 1873 O PHE A 120 2.803 5.045 -4.523 1.00 0.00 O ATOM 1874 CB PHE A 120 1.025 6.820 -6.628 1.00 0.00 C ATOM 1875 CG PHE A 120 0.127 7.993 -6.358 1.00 0.00 C ATOM 1876 CD1 PHE A 120 -1.223 7.933 -6.662 1.00 0.00 C ATOM 1877 CD2 PHE A 120 0.633 9.157 -5.802 1.00 0.00 C ATOM 1878 CE1 PHE A 120 -2.053 9.010 -6.415 1.00 0.00 C ATOM 1879 CE2 PHE A 120 -0.191 10.238 -5.553 1.00 0.00 C ATOM 1880 CZ PHE A 120 -1.536 10.165 -5.861 1.00 0.00 C ATOM 0 H PHE A 120 0.963 6.390 -3.746 1.00 0.00 H new ATOM 0 HA PHE A 120 0.038 4.972 -6.142 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.063 7.138 -6.533 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.885 6.495 -7.659 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.632 7.033 -7.097 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.684 9.220 -5.560 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -3.104 8.949 -6.655 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.216 11.139 -5.118 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.182 11.009 -5.669 1.00 0.00 H new ATOM 1890 N PRO A 121 2.362 3.941 -6.436 1.00 0.00 N ATOM 1891 CA PRO A 121 3.568 3.108 -6.388 1.00 0.00 C ATOM 1892 C PRO A 121 4.839 3.913 -6.635 1.00 0.00 C ATOM 1893 O PRO A 121 4.785 5.043 -7.121 1.00 0.00 O ATOM 1894 CB PRO A 121 3.347 2.098 -7.517 1.00 0.00 C ATOM 1895 CG PRO A 121 2.426 2.786 -8.465 1.00 0.00 C ATOM 1896 CD PRO A 121 1.536 3.655 -7.621 1.00 0.00 C ATOM 0 HA PRO A 121 3.708 2.650 -5.409 1.00 0.00 H new ATOM 0 HB2 PRO A 121 4.287 1.833 -8.001 1.00 0.00 H new ATOM 0 HB3 PRO A 121 2.910 1.173 -7.141 1.00 0.00 H new ATOM 0 HG2 PRO A 121 2.984 3.383 -9.187 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.840 2.064 -9.034 1.00 0.00 H new ATOM 0 HD2 PRO A 121 1.254 4.569 -8.144 1.00 0.00 H new ATOM 0 HD3 PRO A 121 0.612 3.143 -7.353 1.00 0.00 H new ATOM 1904 N PHE A 122 5.981 3.325 -6.297 1.00 0.00 N ATOM 1905 CA PHE A 122 7.267 3.989 -6.482 1.00 0.00 C ATOM 1906 C PHE A 122 7.703 3.932 -7.943 1.00 0.00 C ATOM 1907 O PHE A 122 8.355 4.848 -8.445 1.00 0.00 O ATOM 1908 CB PHE A 122 8.331 3.341 -5.594 1.00 0.00 C ATOM 1909 CG PHE A 122 8.936 2.102 -6.191 1.00 0.00 C ATOM 1910 CD1 PHE A 122 8.261 0.893 -6.142 1.00 0.00 C ATOM 1911 CD2 PHE A 122 10.180 2.147 -6.800 1.00 0.00 C ATOM 1912 CE1 PHE A 122 8.815 -0.248 -6.689 1.00 0.00 C ATOM 1913 CE2 PHE A 122 10.739 1.008 -7.349 1.00 0.00 C ATOM 1914 CZ PHE A 122 10.055 -0.190 -7.295 1.00 0.00 C ATOM 0 H PHE A 122 6.043 2.390 -5.894 1.00 0.00 H new ATOM 0 HA PHE A 122 7.153 5.035 -6.196 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.122 4.065 -5.401 1.00 0.00 H new ATOM 0 HB3 PHE A 122 7.886 3.091 -4.631 1.00 0.00 H new ATOM 0 HD1 PHE A 122 7.291 0.842 -5.671 1.00 0.00 H new ATOM 0 HD2 PHE A 122 10.719 3.082 -6.846 1.00 0.00 H new ATOM 0 HE1 PHE A 122 8.279 -1.185 -6.643 1.00 0.00 H new ATOM 0 HE2 PHE A 122 11.710 1.055 -7.820 1.00 0.00 H new ATOM 0 HZ PHE A 122 10.489 -1.080 -7.726 1.00 0.00 H new ATOM 1924 N LYS A 123 7.339 2.849 -8.621 1.00 0.00 N ATOM 1925 CA LYS A 123 7.691 2.670 -10.025 1.00 0.00 C ATOM 1926 C LYS A 123 6.843 3.571 -10.917 1.00 0.00 C ATOM 1927 O LYS A 123 7.215 3.861 -12.054 1.00 0.00 O ATOM 1928 CB LYS A 123 7.507 1.208 -10.436 1.00 0.00 C ATOM 1929 CG LYS A 123 8.729 0.344 -10.174 1.00 0.00 C ATOM 1930 CD LYS A 123 8.804 -0.824 -11.143 1.00 0.00 C ATOM 1931 CE LYS A 123 8.122 -2.061 -10.578 1.00 0.00 C ATOM 1932 NZ LYS A 123 8.750 -3.316 -11.075 1.00 0.00 N ATOM 0 H LYS A 123 6.800 2.081 -8.221 1.00 0.00 H new ATOM 0 HA LYS A 123 8.738 2.946 -10.150 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.656 0.792 -9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.263 1.166 -11.498 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.630 0.950 -10.263 1.00 0.00 H new ATOM 0 HG3 LYS A 123 8.698 -0.032 -9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 123 8.333 -0.547 -12.086 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.848 -1.050 -11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.170 -2.037 -9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 123 7.067 -2.050 -10.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 8.257 -4.136 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.682 -3.351 -12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.751 -3.339 -10.793 1.00 0.00 H new ATOM 1946 N GLU A 124 5.702 4.010 -10.394 1.00 0.00 N ATOM 1947 CA GLU A 124 4.802 4.878 -11.145 1.00 0.00 C ATOM 1948 C GLU A 124 5.587 5.821 -12.053 1.00 0.00 C ATOM 1949 O GLU A 124 6.508 6.515 -11.622 1.00 0.00 O ATOM 1950 CB GLU A 124 3.924 5.688 -10.189 1.00 0.00 C ATOM 1951 CG GLU A 124 2.504 5.890 -10.691 1.00 0.00 C ATOM 1952 CD GLU A 124 1.794 7.032 -9.990 1.00 0.00 C ATOM 1953 OE1 GLU A 124 2.488 7.890 -9.404 1.00 0.00 O ATOM 1954 OE2 GLU A 124 0.547 7.068 -10.027 1.00 0.00 O ATOM 0 H GLU A 124 5.379 3.779 -9.454 1.00 0.00 H new ATOM 0 HA GLU A 124 4.166 4.248 -11.767 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.891 5.183 -9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 124 4.384 6.662 -10.024 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.526 6.084 -11.763 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.937 4.971 -10.545 1.00 0.00 H new ATOM 1961 N PRO A 125 5.216 5.846 -13.341 1.00 0.00 N ATOM 1962 CA PRO A 125 5.871 6.698 -14.337 1.00 0.00 C ATOM 1963 C PRO A 125 5.573 8.178 -14.120 1.00 0.00 C ATOM 1964 O PRO A 125 4.502 8.540 -13.636 1.00 0.00 O ATOM 1965 CB PRO A 125 5.272 6.221 -15.662 1.00 0.00 C ATOM 1966 CG PRO A 125 3.949 5.642 -15.293 1.00 0.00 C ATOM 1967 CD PRO A 125 4.126 5.045 -13.924 1.00 0.00 C ATOM 0 HA PRO A 125 6.957 6.617 -14.291 1.00 0.00 H new ATOM 0 HB2 PRO A 125 5.161 7.046 -16.366 1.00 0.00 H new ATOM 0 HB3 PRO A 125 5.910 5.478 -16.140 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.175 6.409 -15.287 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.640 4.884 -16.013 1.00 0.00 H new ATOM 0 HD2 PRO A 125 3.213 5.118 -13.333 1.00 0.00 H new ATOM 0 HD3 PRO A 125 4.388 3.988 -13.977 1.00 0.00 H new