USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 721 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 82 THR OG1 : rot 169:sc= 0.586 USER MOD Set 1.2: A 83 SER OG : rot 160:sc= 0 USER MOD Set 2.1: A 30 SER OG : rot -9:sc= 0.868 USER MOD Set 2.2: A 43 SER OG : rot 86:sc= 0.518 USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0267) USER MOD Single : A 22 LYS NZ :NH3+ -125:sc= -0.302 (180deg=-1.94!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.942 F(o=-2.1!,f=-0.94) USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= -0.519 (180deg=-1.67!) USER MOD Single : A 38 THR OG1 : rot -174:sc= -2.04! USER MOD Single : A 48 LYS NZ :NH3+ -172:sc=-0.00041 (180deg=-0.0594) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= -0.0165 (180deg=-0.156) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -134:sc= -0.0141 (180deg=-1.5) USER MOD Single : A 54 ASN : amide:sc= -0.0736 K(o=-0.074,f=-7.6!) USER MOD Single : A 61 TYR OH : rot 30:sc= -0.291 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.632 X(o=-0.63,f=-0.4) USER MOD Single : A 73 TYR OH : rot 87:sc= 0.405 USER MOD Single : A 74 TYR OH : rot 113:sc= 0.227 USER MOD Single : A 77 THR OG1 : rot -81:sc= 0.679 USER MOD Single : A 78 LYS NZ :NH3+ -165:sc= -0.036 (180deg=-0.298) USER MOD Single : A 79 ASN : amide:sc= 0.0144 K(o=0.014,f=-3.6) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -166:sc= 1.18 (180deg=0.767) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 101:sc= 0.27 USER MOD Single : A 93 LYS NZ :NH3+ -164:sc= 0.845 (180deg=0.683) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.417 K(o=-0.42,f=-4.3!) USER MOD Single : A 99 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.24) USER MOD Single : A 102 SER OG : rot 162:sc= 0.465 USER MOD Single : A 104 ASN : amide:sc= -0.0932 X(o=-0.093,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 322 N ASP A 20 -10.768 -11.267 -7.412 1.00 5.04 N ATOM 323 CA ASP A 20 -11.631 -10.072 -7.288 1.00 11.42 C ATOM 324 C ASP A 20 -11.986 -9.746 -5.811 1.00 12.42 C ATOM 325 O ASP A 20 -12.007 -8.575 -5.438 1.00 61.33 O ATOM 326 CB ASP A 20 -12.916 -10.265 -8.121 1.00 14.20 C ATOM 327 CG ASP A 20 -12.619 -10.348 -9.623 1.00 12.43 C ATOM 328 OD1 ASP A 20 -12.591 -9.290 -10.298 1.00 55.11 O ATOM 329 OD2 ASP A 20 -12.381 -11.460 -10.127 1.00 43.14 O ATOM 0 HA ASP A 20 -11.069 -9.221 -7.673 1.00 11.42 H new ATOM 0 HB2 ASP A 20 -13.423 -11.175 -7.801 1.00 14.20 H new ATOM 0 HB3 ASP A 20 -13.599 -9.437 -7.932 1.00 14.20 H new ATOM 334 N LYS A 21 -12.266 -10.781 -4.978 1.00 35.43 N ATOM 335 CA LYS A 21 -12.541 -10.580 -3.525 1.00 64.43 C ATOM 336 C LYS A 21 -11.275 -10.188 -2.744 1.00 44.14 C ATOM 337 O LYS A 21 -11.356 -9.372 -1.826 1.00 13.43 O ATOM 338 CB LYS A 21 -13.210 -11.824 -2.867 1.00 35.14 C ATOM 339 CG LYS A 21 -14.742 -11.874 -3.046 1.00 30.00 C ATOM 340 CD LYS A 21 -15.400 -13.012 -2.232 1.00 3.42 C ATOM 341 CE LYS A 21 -16.935 -12.958 -2.280 1.00 45.32 C ATOM 342 NZ LYS A 21 -17.463 -13.021 -3.665 1.00 51.15 N ATOM 0 H LYS A 21 -12.308 -11.754 -5.280 1.00 35.43 H new ATOM 0 HA LYS A 21 -13.247 -9.751 -3.472 1.00 64.43 H new ATOM 0 HB2 LYS A 21 -12.774 -12.728 -3.293 1.00 35.14 H new ATOM 0 HB3 LYS A 21 -12.977 -11.829 -1.802 1.00 35.14 H new ATOM 0 HG2 LYS A 21 -15.171 -10.919 -2.741 1.00 30.00 H new ATOM 0 HG3 LYS A 21 -14.976 -12.006 -4.102 1.00 30.00 H new ATOM 0 HD2 LYS A 21 -15.061 -13.973 -2.618 1.00 3.42 H new ATOM 0 HD3 LYS A 21 -15.070 -12.951 -1.195 1.00 3.42 H new ATOM 0 HE2 LYS A 21 -17.343 -13.787 -1.701 1.00 45.32 H new ATOM 0 HE3 LYS A 21 -17.278 -12.039 -1.805 1.00 45.32 H new ATOM 0 HZ1 LYS A 21 -18.502 -13.050 -3.639 1.00 51.15 H new ATOM 0 HZ2 LYS A 21 -17.153 -12.181 -4.193 1.00 51.15 H new ATOM 0 HZ3 LYS A 21 -17.105 -13.877 -4.135 1.00 51.15 H new ATOM 356 N LYS A 22 -10.119 -10.790 -3.095 1.00 12.32 N ATOM 357 CA LYS A 22 -8.816 -10.394 -2.509 1.00 50.35 C ATOM 358 C LYS A 22 -8.495 -8.915 -2.828 1.00 50.51 C ATOM 359 O LYS A 22 -8.229 -8.119 -1.925 1.00 11.33 O ATOM 360 CB LYS A 22 -7.666 -11.309 -3.015 1.00 61.51 C ATOM 361 CG LYS A 22 -6.253 -10.785 -2.649 1.00 62.11 C ATOM 362 CD LYS A 22 -5.103 -11.772 -2.943 1.00 31.33 C ATOM 363 CE LYS A 22 -5.080 -12.973 -1.981 1.00 4.31 C ATOM 364 NZ LYS A 22 -6.052 -14.040 -2.338 1.00 71.13 N ATOM 0 H LYS A 22 -10.059 -11.547 -3.776 1.00 12.32 H new ATOM 0 HA LYS A 22 -8.896 -10.511 -1.428 1.00 50.35 H new ATOM 0 HB2 LYS A 22 -7.795 -12.307 -2.596 1.00 61.51 H new ATOM 0 HB3 LYS A 22 -7.740 -11.407 -4.098 1.00 61.51 H new ATOM 0 HG2 LYS A 22 -6.070 -9.861 -3.197 1.00 62.11 H new ATOM 0 HG3 LYS A 22 -6.237 -10.535 -1.588 1.00 62.11 H new ATOM 0 HD2 LYS A 22 -5.196 -12.135 -3.966 1.00 31.33 H new ATOM 0 HD3 LYS A 22 -4.152 -11.243 -2.878 1.00 31.33 H new ATOM 0 HE2 LYS A 22 -4.076 -13.397 -1.967 1.00 4.31 H new ATOM 0 HE3 LYS A 22 -5.292 -12.623 -0.971 1.00 4.31 H new ATOM 0 HZ1 LYS A 22 -6.667 -14.237 -1.522 1.00 71.13 H new ATOM 0 HZ2 LYS A 22 -6.633 -13.726 -3.141 1.00 71.13 H new ATOM 0 HZ3 LYS A 22 -5.537 -14.905 -2.600 1.00 71.13 H new ATOM 378 N ARG A 23 -8.533 -8.582 -4.130 1.00 31.25 N ATOM 379 CA ARG A 23 -8.283 -7.219 -4.639 1.00 65.02 C ATOM 380 C ARG A 23 -9.221 -6.179 -3.985 1.00 35.42 C ATOM 381 O ARG A 23 -8.752 -5.176 -3.458 1.00 10.05 O ATOM 382 CB ARG A 23 -8.423 -7.213 -6.185 1.00 72.33 C ATOM 383 CG ARG A 23 -8.373 -5.818 -6.850 1.00 3.33 C ATOM 384 CD ARG A 23 -8.229 -5.887 -8.381 1.00 71.51 C ATOM 385 NE ARG A 23 -9.186 -6.824 -9.007 1.00 1.33 N ATOM 386 CZ ARG A 23 -8.880 -7.689 -9.953 1.00 51.35 C ATOM 387 NH1 ARG A 23 -7.659 -7.807 -10.377 1.00 24.33 N ATOM 388 NH2 ARG A 23 -9.795 -8.451 -10.445 1.00 12.13 N ATOM 0 H ARG A 23 -8.740 -9.257 -4.867 1.00 31.25 H new ATOM 0 HA ARG A 23 -7.267 -6.930 -4.372 1.00 65.02 H new ATOM 0 HB2 ARG A 23 -7.627 -7.827 -6.607 1.00 72.33 H new ATOM 0 HB3 ARG A 23 -9.367 -7.689 -6.449 1.00 72.33 H new ATOM 0 HG2 ARG A 23 -9.281 -5.270 -6.600 1.00 3.33 H new ATOM 0 HG3 ARG A 23 -7.537 -5.254 -6.437 1.00 3.33 H new ATOM 0 HD2 ARG A 23 -8.376 -4.892 -8.800 1.00 71.51 H new ATOM 0 HD3 ARG A 23 -7.213 -6.192 -8.632 1.00 71.51 H new ATOM 0 HE ARG A 23 -10.153 -6.799 -8.683 1.00 1.33 H new ATOM 0 HH11 ARG A 23 -6.922 -7.226 -9.977 1.00 24.33 H new ATOM 0 HH12 ARG A 23 -7.436 -8.481 -11.110 1.00 24.33 H new ATOM 0 HH21 ARG A 23 -10.753 -8.384 -10.102 1.00 12.13 H new ATOM 0 HH22 ARG A 23 -9.561 -9.121 -11.177 1.00 12.13 H new ATOM 402 N ALA A 24 -10.536 -6.465 -3.983 1.00 53.11 N ATOM 403 CA ALA A 24 -11.560 -5.567 -3.386 1.00 34.44 C ATOM 404 C ALA A 24 -11.326 -5.359 -1.870 1.00 62.51 C ATOM 405 O ALA A 24 -11.467 -4.245 -1.369 1.00 42.10 O ATOM 406 CB ALA A 24 -12.975 -6.115 -3.634 1.00 2.32 C ATOM 0 H ALA A 24 -10.923 -7.316 -4.390 1.00 53.11 H new ATOM 0 HA ALA A 24 -11.465 -4.597 -3.875 1.00 34.44 H new ATOM 0 HB1 ALA A 24 -13.709 -5.443 -3.189 1.00 2.32 H new ATOM 0 HB2 ALA A 24 -13.154 -6.188 -4.707 1.00 2.32 H new ATOM 0 HB3 ALA A 24 -13.067 -7.103 -3.182 1.00 2.32 H new ATOM 412 N ARG A 25 -10.963 -6.453 -1.170 1.00 75.44 N ATOM 413 CA ARG A 25 -10.650 -6.442 0.283 1.00 51.41 C ATOM 414 C ARG A 25 -9.434 -5.542 0.611 1.00 23.22 C ATOM 415 O ARG A 25 -9.462 -4.774 1.572 1.00 61.41 O ATOM 416 CB ARG A 25 -10.358 -7.889 0.767 1.00 62.14 C ATOM 417 CG ARG A 25 -10.045 -8.031 2.279 1.00 42.41 C ATOM 418 CD ARG A 25 -9.514 -9.429 2.638 1.00 1.10 C ATOM 419 NE ARG A 25 -10.458 -10.488 2.245 1.00 13.12 N ATOM 420 CZ ARG A 25 -10.138 -11.712 1.898 1.00 21.12 C ATOM 421 NH1 ARG A 25 -8.901 -12.108 1.852 1.00 51.02 N ATOM 422 NH2 ARG A 25 -11.073 -12.535 1.580 1.00 64.31 N ATOM 0 H ARG A 25 -10.877 -7.376 -1.595 1.00 75.44 H new ATOM 0 HA ARG A 25 -11.519 -6.035 0.800 1.00 51.41 H new ATOM 0 HB2 ARG A 25 -11.219 -8.514 0.531 1.00 62.14 H new ATOM 0 HB3 ARG A 25 -9.514 -8.281 0.200 1.00 62.14 H new ATOM 0 HG2 ARG A 25 -9.309 -7.281 2.567 1.00 42.41 H new ATOM 0 HG3 ARG A 25 -10.948 -7.829 2.855 1.00 42.41 H new ATOM 0 HD2 ARG A 25 -8.557 -9.593 2.143 1.00 1.10 H new ATOM 0 HD3 ARG A 25 -9.331 -9.484 3.711 1.00 1.10 H new ATOM 0 HE ARG A 25 -11.450 -10.249 2.242 1.00 13.12 H new ATOM 0 HH11 ARG A 25 -8.149 -11.461 2.089 1.00 51.02 H new ATOM 0 HH12 ARG A 25 -8.682 -13.066 1.579 1.00 51.02 H new ATOM 0 HH21 ARG A 25 -12.047 -12.233 1.600 1.00 64.31 H new ATOM 0 HH22 ARG A 25 -10.841 -13.490 1.308 1.00 64.31 H new ATOM 436 N LEU A 26 -8.360 -5.667 -0.189 1.00 53.13 N ATOM 437 CA LEU A 26 -7.109 -4.908 0.029 1.00 61.52 C ATOM 438 C LEU A 26 -7.286 -3.395 -0.300 1.00 3.32 C ATOM 439 O LEU A 26 -6.795 -2.539 0.445 1.00 24.45 O ATOM 440 CB LEU A 26 -5.953 -5.513 -0.799 1.00 21.33 C ATOM 441 CG LEU A 26 -5.544 -6.999 -0.507 1.00 20.43 C ATOM 442 CD1 LEU A 26 -4.377 -7.415 -1.417 1.00 20.24 C ATOM 443 CD2 LEU A 26 -5.204 -7.201 0.990 1.00 64.23 C ATOM 0 H LEU A 26 -8.331 -6.289 -0.997 1.00 53.13 H new ATOM 0 HA LEU A 26 -6.859 -4.986 1.087 1.00 61.52 H new ATOM 0 HB2 LEU A 26 -6.222 -5.441 -1.853 1.00 21.33 H new ATOM 0 HB3 LEU A 26 -5.072 -4.888 -0.651 1.00 21.33 H new ATOM 0 HG LEU A 26 -6.393 -7.645 -0.730 1.00 20.43 H new ATOM 0 HD11 LEU A 26 -4.101 -8.448 -1.206 1.00 20.24 H new ATOM 0 HD12 LEU A 26 -4.680 -7.326 -2.460 1.00 20.24 H new ATOM 0 HD13 LEU A 26 -3.521 -6.766 -1.231 1.00 20.24 H new ATOM 0 HD21 LEU A 26 -4.924 -8.240 1.163 1.00 64.23 H new ATOM 0 HD22 LEU A 26 -4.373 -6.551 1.265 1.00 64.23 H new ATOM 0 HD23 LEU A 26 -6.075 -6.954 1.597 1.00 64.23 H new ATOM 455 N ILE A 27 -7.986 -3.087 -1.422 1.00 11.12 N ATOM 456 CA ILE A 27 -8.392 -1.691 -1.774 1.00 14.31 C ATOM 457 C ILE A 27 -9.328 -1.091 -0.685 1.00 34.40 C ATOM 458 O ILE A 27 -9.288 0.110 -0.400 1.00 3.43 O ATOM 459 CB ILE A 27 -9.119 -1.610 -3.183 1.00 14.44 C ATOM 460 CG1 ILE A 27 -8.236 -2.215 -4.314 1.00 31.15 C ATOM 461 CG2 ILE A 27 -9.517 -0.145 -3.538 1.00 31.20 C ATOM 462 CD1 ILE A 27 -8.892 -2.276 -5.685 1.00 73.32 C ATOM 0 H ILE A 27 -8.284 -3.785 -2.103 1.00 11.12 H new ATOM 0 HA ILE A 27 -7.471 -1.111 -1.830 1.00 14.31 H new ATOM 0 HB ILE A 27 -10.031 -2.202 -3.104 1.00 14.44 H new ATOM 0 HG12 ILE A 27 -7.321 -1.628 -4.392 1.00 31.15 H new ATOM 0 HG13 ILE A 27 -7.943 -3.224 -4.024 1.00 31.15 H new ATOM 0 HG21 ILE A 27 -10.012 -0.128 -4.509 1.00 31.20 H new ATOM 0 HG22 ILE A 27 -10.195 0.242 -2.778 1.00 31.20 H new ATOM 0 HG23 ILE A 27 -8.622 0.476 -3.576 1.00 31.20 H new ATOM 0 HD11 ILE A 27 -8.197 -2.712 -6.402 1.00 73.32 H new ATOM 0 HD12 ILE A 27 -9.791 -2.890 -5.631 1.00 73.32 H new ATOM 0 HD13 ILE A 27 -9.159 -1.269 -6.006 1.00 73.32 H new ATOM 474 N TYR A 28 -10.168 -1.951 -0.088 1.00 15.45 N ATOM 475 CA TYR A 28 -11.057 -1.572 1.030 1.00 51.43 C ATOM 476 C TYR A 28 -10.234 -1.178 2.283 1.00 11.22 C ATOM 477 O TYR A 28 -10.486 -0.143 2.875 1.00 25.44 O ATOM 478 CB TYR A 28 -12.033 -2.741 1.341 1.00 53.12 C ATOM 479 CG TYR A 28 -12.987 -2.520 2.526 1.00 14.23 C ATOM 480 CD1 TYR A 28 -14.076 -1.645 2.426 1.00 40.34 C ATOM 481 CD2 TYR A 28 -12.809 -3.198 3.738 1.00 13.11 C ATOM 482 CE1 TYR A 28 -14.944 -1.458 3.485 1.00 22.14 C ATOM 483 CE2 TYR A 28 -13.679 -3.015 4.797 1.00 2.32 C ATOM 484 CZ TYR A 28 -14.742 -2.145 4.666 1.00 22.14 C ATOM 485 OH TYR A 28 -15.615 -1.968 5.722 1.00 0.25 O ATOM 0 H TYR A 28 -10.253 -2.929 -0.364 1.00 15.45 H new ATOM 0 HA TYR A 28 -11.641 -0.699 0.738 1.00 51.43 H new ATOM 0 HB2 TYR A 28 -12.630 -2.937 0.450 1.00 53.12 H new ATOM 0 HB3 TYR A 28 -11.445 -3.638 1.535 1.00 53.12 H new ATOM 0 HD1 TYR A 28 -14.240 -1.107 1.504 1.00 40.34 H new ATOM 0 HD2 TYR A 28 -11.976 -3.877 3.848 1.00 13.11 H new ATOM 0 HE1 TYR A 28 -15.777 -0.777 3.389 1.00 22.14 H new ATOM 0 HE2 TYR A 28 -13.527 -3.551 5.722 1.00 2.32 H new ATOM 0 HH TYR A 28 -15.332 -2.525 6.477 1.00 0.25 H new ATOM 495 N GLN A 29 -9.226 -1.995 2.643 1.00 21.12 N ATOM 496 CA GLN A 29 -8.381 -1.770 3.856 1.00 1.44 C ATOM 497 C GLN A 29 -7.295 -0.687 3.639 1.00 64.22 C ATOM 498 O GLN A 29 -6.617 -0.289 4.585 1.00 53.13 O ATOM 499 CB GLN A 29 -7.731 -3.097 4.293 1.00 51.21 C ATOM 500 CG GLN A 29 -8.738 -4.206 4.637 1.00 1.10 C ATOM 501 CD GLN A 29 -8.050 -5.544 4.901 1.00 45.51 C ATOM 502 OE1 GLN A 29 -7.762 -6.283 3.848 1.00 30.45 O flip ATOM 503 NE2 GLN A 29 -7.733 -5.886 6.033 1.00 14.04 N flip ATOM 0 H GLN A 29 -8.967 -2.827 2.113 1.00 21.12 H new ATOM 0 HA GLN A 29 -9.039 -1.402 4.643 1.00 1.44 H new ATOM 0 HB2 GLN A 29 -7.078 -3.449 3.495 1.00 51.21 H new ATOM 0 HB3 GLN A 29 -7.100 -2.911 5.162 1.00 51.21 H new ATOM 0 HG2 GLN A 29 -9.312 -3.914 5.516 1.00 1.10 H new ATOM 0 HG3 GLN A 29 -9.447 -4.319 3.817 1.00 1.10 H new ATOM 0 HE21 GLN A 29 -7.969 -5.294 6.829 1.00 14.04 H new ATOM 0 HE22 GLN A 29 -7.233 -6.763 6.180 1.00 14.04 H new ATOM 512 N SER A 30 -7.105 -0.259 2.386 1.00 15.23 N ATOM 513 CA SER A 30 -6.318 0.955 2.060 1.00 12.03 C ATOM 514 C SER A 30 -7.220 2.204 2.138 1.00 31.45 C ATOM 515 O SER A 30 -6.751 3.318 2.395 1.00 1.11 O ATOM 516 CB SER A 30 -5.694 0.834 0.657 1.00 23.00 C ATOM 517 OG SER A 30 -6.662 0.727 -0.368 1.00 71.42 O ATOM 0 H SER A 30 -7.486 -0.735 1.568 1.00 15.23 H new ATOM 0 HA SER A 30 -5.512 1.054 2.787 1.00 12.03 H new ATOM 0 HB2 SER A 30 -5.066 1.705 0.468 1.00 23.00 H new ATOM 0 HB3 SER A 30 -5.043 -0.040 0.628 1.00 23.00 H new ATOM 0 HG SER A 30 -7.548 0.602 0.031 1.00 71.42 H new ATOM 523 N ARG A 31 -8.520 1.977 1.873 1.00 54.34 N ATOM 524 CA ARG A 31 -9.598 2.975 2.015 1.00 73.40 C ATOM 525 C ARG A 31 -10.056 3.092 3.498 1.00 32.14 C ATOM 526 O ARG A 31 -10.793 4.013 3.859 1.00 55.15 O ATOM 527 CB ARG A 31 -10.762 2.565 1.070 1.00 2.22 C ATOM 528 CG ARG A 31 -11.940 3.552 0.982 1.00 32.34 C ATOM 529 CD ARG A 31 -13.026 3.084 0.003 1.00 30.34 C ATOM 530 NE ARG A 31 -14.183 3.998 -0.028 1.00 33.21 N ATOM 531 CZ ARG A 31 -15.181 3.921 -0.877 1.00 73.02 C ATOM 532 NH1 ARG A 31 -15.206 3.013 -1.806 1.00 42.23 N ATOM 533 NH2 ARG A 31 -16.157 4.761 -0.784 1.00 60.50 N ATOM 0 H ARG A 31 -8.859 1.072 1.546 1.00 54.34 H new ATOM 0 HA ARG A 31 -9.240 3.965 1.731 1.00 73.40 H new ATOM 0 HB2 ARG A 31 -10.357 2.423 0.068 1.00 2.22 H new ATOM 0 HB3 ARG A 31 -11.147 1.599 1.398 1.00 2.22 H new ATOM 0 HG2 ARG A 31 -12.378 3.679 1.972 1.00 32.34 H new ATOM 0 HG3 ARG A 31 -11.570 4.528 0.669 1.00 32.34 H new ATOM 0 HD2 ARG A 31 -12.601 3.006 -0.998 1.00 30.34 H new ATOM 0 HD3 ARG A 31 -13.361 2.086 0.286 1.00 30.34 H new ATOM 0 HE ARG A 31 -14.210 4.747 0.663 1.00 33.21 H new ATOM 0 HH11 ARG A 31 -14.441 2.343 -1.885 1.00 42.23 H new ATOM 0 HH12 ARG A 31 -15.991 2.970 -2.456 1.00 42.23 H new ATOM 0 HH21 ARG A 31 -16.147 5.475 -0.056 1.00 60.50 H new ATOM 0 HH22 ARG A 31 -16.938 4.710 -1.439 1.00 60.50 H new ATOM 547 N LYS A 32 -9.641 2.132 4.355 1.00 60.15 N ATOM 548 CA LYS A 32 -9.749 2.270 5.827 1.00 32.24 C ATOM 549 C LYS A 32 -8.339 2.602 6.372 1.00 52.12 C ATOM 550 O LYS A 32 -7.433 1.771 6.279 1.00 43.25 O ATOM 551 CB LYS A 32 -10.294 0.964 6.510 1.00 74.33 C ATOM 552 CG LYS A 32 -11.442 0.222 5.777 1.00 43.12 C ATOM 553 CD LYS A 32 -12.656 1.095 5.349 1.00 25.04 C ATOM 554 CE LYS A 32 -13.569 1.548 6.508 1.00 64.23 C ATOM 555 NZ LYS A 32 -12.921 2.517 7.422 1.00 42.22 N ATOM 0 H LYS A 32 -9.227 1.250 4.052 1.00 60.15 H new ATOM 0 HA LYS A 32 -10.461 3.063 6.057 1.00 32.24 H new ATOM 0 HB2 LYS A 32 -9.462 0.270 6.630 1.00 74.33 H new ATOM 0 HB3 LYS A 32 -10.640 1.222 7.511 1.00 74.33 H new ATOM 0 HG2 LYS A 32 -11.030 -0.253 4.887 1.00 43.12 H new ATOM 0 HG3 LYS A 32 -11.804 -0.576 6.426 1.00 43.12 H new ATOM 0 HD2 LYS A 32 -12.285 1.979 4.831 1.00 25.04 H new ATOM 0 HD3 LYS A 32 -13.255 0.533 4.632 1.00 25.04 H new ATOM 0 HE2 LYS A 32 -14.472 1.997 6.095 1.00 64.23 H new ATOM 0 HE3 LYS A 32 -13.880 0.673 7.079 1.00 64.23 H new ATOM 0 HZ1 LYS A 32 -13.646 3.124 7.855 1.00 42.22 H new ATOM 0 HZ2 LYS A 32 -12.410 2.003 8.167 1.00 42.22 H new ATOM 0 HZ3 LYS A 32 -12.252 3.106 6.886 1.00 42.22 H new ATOM 569 N ARG A 33 -8.153 3.799 6.948 1.00 10.32 N ATOM 570 CA ARG A 33 -6.815 4.277 7.368 1.00 24.25 C ATOM 571 C ARG A 33 -6.912 5.254 8.560 1.00 41.22 C ATOM 572 O ARG A 33 -7.922 5.955 8.707 1.00 22.43 O ATOM 573 CB ARG A 33 -6.112 4.953 6.156 1.00 52.13 C ATOM 574 CG ARG A 33 -4.577 5.140 6.268 1.00 63.04 C ATOM 575 CD ARG A 33 -3.777 3.822 6.078 1.00 3.41 C ATOM 576 NE ARG A 33 -3.913 2.881 7.217 1.00 21.24 N ATOM 577 CZ ARG A 33 -4.212 1.594 7.130 1.00 11.13 C ATOM 578 NH1 ARG A 33 -4.516 1.041 5.996 1.00 54.22 N ATOM 579 NH2 ARG A 33 -4.229 0.875 8.197 1.00 41.31 N ATOM 0 H ARG A 33 -8.908 4.458 7.136 1.00 10.32 H new ATOM 0 HA ARG A 33 -6.225 3.423 7.701 1.00 24.25 H new ATOM 0 HB2 ARG A 33 -6.320 4.360 5.266 1.00 52.13 H new ATOM 0 HB3 ARG A 33 -6.565 5.932 6.000 1.00 52.13 H new ATOM 0 HG2 ARG A 33 -4.252 5.864 5.521 1.00 63.04 H new ATOM 0 HG3 ARG A 33 -4.341 5.562 7.245 1.00 63.04 H new ATOM 0 HD2 ARG A 33 -4.115 3.329 5.167 1.00 3.41 H new ATOM 0 HD3 ARG A 33 -2.723 4.062 5.939 1.00 3.41 H new ATOM 0 HE ARG A 33 -3.763 3.260 8.152 1.00 21.24 H new ATOM 0 HH11 ARG A 33 -4.529 1.600 5.143 1.00 54.22 H new ATOM 0 HH12 ARG A 33 -4.742 0.047 5.958 1.00 54.22 H new ATOM 0 HH21 ARG A 33 -4.013 1.297 9.100 1.00 41.31 H new ATOM 0 HH22 ARG A 33 -4.458 -0.117 8.140 1.00 41.31 H new ATOM 593 N GLY A 34 -5.847 5.295 9.397 1.00 24.12 N ATOM 594 CA GLY A 34 -5.781 6.198 10.565 1.00 54.03 C ATOM 595 C GLY A 34 -5.876 7.692 10.204 1.00 10.44 C ATOM 596 O GLY A 34 -6.602 8.454 10.862 1.00 51.24 O ATOM 0 H GLY A 34 -5.020 4.709 9.281 1.00 24.12 H new ATOM 0 HA2 GLY A 34 -6.590 5.948 11.252 1.00 54.03 H new ATOM 0 HA3 GLY A 34 -4.846 6.021 11.096 1.00 54.03 H new ATOM 600 N ILE A 35 -5.137 8.106 9.152 1.00 3.22 N ATOM 601 CA ILE A 35 -5.184 9.486 8.615 1.00 71.55 C ATOM 602 C ILE A 35 -5.671 9.504 7.152 1.00 74.24 C ATOM 603 O ILE A 35 -5.453 8.546 6.400 1.00 71.10 O ATOM 604 CB ILE A 35 -3.787 10.201 8.705 1.00 41.13 C ATOM 605 CG1 ILE A 35 -2.701 9.440 7.875 1.00 22.44 C ATOM 606 CG2 ILE A 35 -3.359 10.360 10.182 1.00 31.44 C ATOM 607 CD1 ILE A 35 -1.382 10.171 7.747 1.00 14.02 C ATOM 0 H ILE A 35 -4.492 7.495 8.651 1.00 3.22 H new ATOM 0 HA ILE A 35 -5.894 10.032 9.236 1.00 71.55 H new ATOM 0 HB ILE A 35 -3.885 11.195 8.269 1.00 41.13 H new ATOM 0 HG12 ILE A 35 -2.521 8.470 8.339 1.00 22.44 H new ATOM 0 HG13 ILE A 35 -3.094 9.248 6.877 1.00 22.44 H new ATOM 0 HG21 ILE A 35 -2.390 10.857 10.229 1.00 31.44 H new ATOM 0 HG22 ILE A 35 -4.099 10.958 10.713 1.00 31.44 H new ATOM 0 HG23 ILE A 35 -3.286 9.377 10.647 1.00 31.44 H new ATOM 0 HD11 ILE A 35 -0.689 9.571 7.157 1.00 14.02 H new ATOM 0 HD12 ILE A 35 -1.544 11.129 7.253 1.00 14.02 H new ATOM 0 HD13 ILE A 35 -0.962 10.340 8.739 1.00 14.02 H new ATOM 619 N LEU A 36 -6.302 10.629 6.763 1.00 51.21 N ATOM 620 CA LEU A 36 -6.867 10.841 5.410 1.00 72.11 C ATOM 621 C LEU A 36 -5.749 11.021 4.336 1.00 73.14 C ATOM 622 O LEU A 36 -5.951 10.691 3.159 1.00 74.34 O ATOM 623 CB LEU A 36 -7.858 12.055 5.466 1.00 3.54 C ATOM 624 CG LEU A 36 -8.799 12.330 4.232 1.00 13.35 C ATOM 625 CD1 LEU A 36 -8.089 13.097 3.095 1.00 54.12 C ATOM 626 CD2 LEU A 36 -9.447 11.021 3.717 1.00 4.31 C ATOM 0 H LEU A 36 -6.437 11.427 7.384 1.00 51.21 H new ATOM 0 HA LEU A 36 -7.420 9.954 5.100 1.00 72.11 H new ATOM 0 HB2 LEU A 36 -8.494 11.921 6.341 1.00 3.54 H new ATOM 0 HB3 LEU A 36 -7.267 12.955 5.636 1.00 3.54 H new ATOM 0 HG LEU A 36 -9.596 12.983 4.589 1.00 13.35 H new ATOM 0 HD11 LEU A 36 -8.787 13.257 2.273 1.00 54.12 H new ATOM 0 HD12 LEU A 36 -7.741 14.060 3.468 1.00 54.12 H new ATOM 0 HD13 LEU A 36 -7.238 12.516 2.740 1.00 54.12 H new ATOM 0 HD21 LEU A 36 -10.090 11.244 2.866 1.00 4.31 H new ATOM 0 HD22 LEU A 36 -8.666 10.325 3.410 1.00 4.31 H new ATOM 0 HD23 LEU A 36 -10.041 10.572 4.513 1.00 4.31 H new ATOM 638 N GLU A 37 -4.573 11.525 4.752 1.00 71.45 N ATOM 639 CA GLU A 37 -3.412 11.731 3.845 1.00 61.01 C ATOM 640 C GLU A 37 -2.906 10.393 3.241 1.00 71.24 C ATOM 641 O GLU A 37 -2.788 10.251 2.017 1.00 40.04 O ATOM 642 CB GLU A 37 -2.271 12.454 4.607 1.00 11.21 C ATOM 643 CG GLU A 37 -2.668 13.825 5.181 1.00 61.42 C ATOM 644 CD GLU A 37 -1.503 14.547 5.878 1.00 35.33 C ATOM 645 OE1 GLU A 37 -0.684 15.186 5.183 1.00 71.14 O ATOM 646 OE2 GLU A 37 -1.405 14.477 7.119 1.00 21.11 O ATOM 0 H GLU A 37 -4.394 11.801 5.717 1.00 71.45 H new ATOM 0 HA GLU A 37 -3.740 12.355 3.013 1.00 61.01 H new ATOM 0 HB2 GLU A 37 -1.932 11.815 5.423 1.00 11.21 H new ATOM 0 HB3 GLU A 37 -1.425 12.586 3.932 1.00 11.21 H new ATOM 0 HG2 GLU A 37 -3.047 14.454 4.375 1.00 61.42 H new ATOM 0 HG3 GLU A 37 -3.483 13.692 5.892 1.00 61.42 H new ATOM 653 N THR A 38 -2.641 9.411 4.116 1.00 31.02 N ATOM 654 CA THR A 38 -2.218 8.048 3.706 1.00 53.32 C ATOM 655 C THR A 38 -3.397 7.247 3.103 1.00 35.02 C ATOM 656 O THR A 38 -3.192 6.338 2.294 1.00 74.14 O ATOM 657 CB THR A 38 -1.584 7.249 4.886 1.00 53.24 C ATOM 658 OG1 THR A 38 -0.613 8.067 5.528 1.00 41.31 O ATOM 659 CG2 THR A 38 -0.902 5.947 4.416 1.00 24.52 C ATOM 0 H THR A 38 -2.711 9.531 5.126 1.00 31.02 H new ATOM 0 HA THR A 38 -1.455 8.181 2.939 1.00 53.32 H new ATOM 0 HB THR A 38 -2.388 6.976 5.569 1.00 53.24 H new ATOM 0 HG1 THR A 38 -0.144 7.543 6.211 1.00 41.31 H new ATOM 0 HG21 THR A 38 -0.477 5.428 5.275 1.00 24.52 H new ATOM 0 HG22 THR A 38 -1.638 5.305 3.932 1.00 24.52 H new ATOM 0 HG23 THR A 38 -0.109 6.187 3.708 1.00 24.52 H new ATOM 667 N ASP A 39 -4.626 7.580 3.542 1.00 71.12 N ATOM 668 CA ASP A 39 -5.882 6.973 3.040 1.00 12.55 C ATOM 669 C ASP A 39 -5.975 7.066 1.493 1.00 22.42 C ATOM 670 O ASP A 39 -6.031 6.047 0.806 1.00 34.12 O ATOM 671 CB ASP A 39 -7.073 7.698 3.704 1.00 73.31 C ATOM 672 CG ASP A 39 -8.438 7.097 3.376 1.00 13.42 C ATOM 673 OD1 ASP A 39 -8.815 6.097 4.003 1.00 70.10 O ATOM 674 OD2 ASP A 39 -9.138 7.637 2.493 1.00 11.05 O ATOM 0 H ASP A 39 -4.780 8.285 4.263 1.00 71.12 H new ATOM 0 HA ASP A 39 -5.900 5.914 3.297 1.00 12.55 H new ATOM 0 HB2 ASP A 39 -6.934 7.685 4.785 1.00 73.31 H new ATOM 0 HB3 ASP A 39 -7.065 8.743 3.394 1.00 73.31 H new ATOM 679 N LEU A 40 -5.933 8.308 0.973 1.00 50.10 N ATOM 680 CA LEU A 40 -5.987 8.582 -0.486 1.00 0.25 C ATOM 681 C LEU A 40 -4.721 8.069 -1.219 1.00 35.35 C ATOM 682 O LEU A 40 -4.799 7.648 -2.383 1.00 42.30 O ATOM 683 CB LEU A 40 -6.167 10.103 -0.737 1.00 42.22 C ATOM 684 CG LEU A 40 -7.439 10.759 -0.112 1.00 5.42 C ATOM 685 CD1 LEU A 40 -7.518 12.261 -0.467 1.00 61.52 C ATOM 686 CD2 LEU A 40 -8.726 10.008 -0.531 1.00 54.44 C ATOM 0 H LEU A 40 -5.861 9.150 1.545 1.00 50.10 H new ATOM 0 HA LEU A 40 -6.843 8.042 -0.890 1.00 0.25 H new ATOM 0 HB2 LEU A 40 -5.289 10.620 -0.350 1.00 42.22 H new ATOM 0 HB3 LEU A 40 -6.188 10.273 -1.814 1.00 42.22 H new ATOM 0 HG LEU A 40 -7.357 10.679 0.972 1.00 5.42 H new ATOM 0 HD11 LEU A 40 -8.413 12.694 -0.020 1.00 61.52 H new ATOM 0 HD12 LEU A 40 -6.636 12.773 -0.082 1.00 61.52 H new ATOM 0 HD13 LEU A 40 -7.561 12.377 -1.550 1.00 61.52 H new ATOM 0 HD21 LEU A 40 -9.592 10.491 -0.079 1.00 54.44 H new ATOM 0 HD22 LEU A 40 -8.823 10.031 -1.616 1.00 54.44 H new ATOM 0 HD23 LEU A 40 -8.670 8.973 -0.193 1.00 54.44 H new ATOM 698 N LEU A 41 -3.565 8.123 -0.524 1.00 53.24 N ATOM 699 CA LEU A 41 -2.262 7.625 -1.040 1.00 25.24 C ATOM 700 C LEU A 41 -2.338 6.128 -1.430 1.00 63.13 C ATOM 701 O LEU A 41 -2.057 5.753 -2.572 1.00 43.03 O ATOM 702 CB LEU A 41 -1.168 7.844 0.044 1.00 73.32 C ATOM 703 CG LEU A 41 0.282 7.366 -0.297 1.00 34.13 C ATOM 704 CD1 LEU A 41 0.830 8.072 -1.554 1.00 74.02 C ATOM 705 CD2 LEU A 41 1.224 7.565 0.918 1.00 4.32 C ATOM 0 H LEU A 41 -3.504 8.514 0.416 1.00 53.24 H new ATOM 0 HA LEU A 41 -2.010 8.184 -1.941 1.00 25.24 H new ATOM 0 HB2 LEU A 41 -1.128 8.909 0.273 1.00 73.32 H new ATOM 0 HB3 LEU A 41 -1.487 7.334 0.953 1.00 73.32 H new ATOM 0 HG LEU A 41 0.239 6.300 -0.520 1.00 34.13 H new ATOM 0 HD11 LEU A 41 1.839 7.715 -1.761 1.00 74.02 H new ATOM 0 HD12 LEU A 41 0.186 7.852 -2.405 1.00 74.02 H new ATOM 0 HD13 LEU A 41 0.853 9.149 -1.386 1.00 74.02 H new ATOM 0 HD21 LEU A 41 2.227 7.226 0.660 1.00 4.32 H new ATOM 0 HD22 LEU A 41 1.255 8.621 1.185 1.00 4.32 H new ATOM 0 HD23 LEU A 41 0.853 6.987 1.765 1.00 4.32 H new ATOM 717 N LEU A 42 -2.758 5.301 -0.461 1.00 14.54 N ATOM 718 CA LEU A 42 -2.863 3.839 -0.625 1.00 25.54 C ATOM 719 C LEU A 42 -4.067 3.430 -1.492 1.00 71.52 C ATOM 720 O LEU A 42 -3.980 2.458 -2.221 1.00 63.24 O ATOM 721 CB LEU A 42 -2.953 3.154 0.761 1.00 62.51 C ATOM 722 CG LEU A 42 -1.669 3.214 1.639 1.00 75.01 C ATOM 723 CD1 LEU A 42 -1.887 2.511 2.998 1.00 0.03 C ATOM 724 CD2 LEU A 42 -0.457 2.621 0.881 1.00 40.35 C ATOM 0 H LEU A 42 -3.036 5.627 0.464 1.00 14.54 H new ATOM 0 HA LEU A 42 -1.963 3.508 -1.143 1.00 25.54 H new ATOM 0 HB2 LEU A 42 -3.771 3.612 1.317 1.00 62.51 H new ATOM 0 HB3 LEU A 42 -3.217 2.107 0.610 1.00 62.51 H new ATOM 0 HG LEU A 42 -1.451 4.261 1.847 1.00 75.01 H new ATOM 0 HD11 LEU A 42 -0.973 2.570 3.589 1.00 0.03 H new ATOM 0 HD12 LEU A 42 -2.698 3.002 3.536 1.00 0.03 H new ATOM 0 HD13 LEU A 42 -2.144 1.465 2.830 1.00 0.03 H new ATOM 0 HD21 LEU A 42 0.429 2.673 1.514 1.00 40.35 H new ATOM 0 HD22 LEU A 42 -0.660 1.581 0.627 1.00 40.35 H new ATOM 0 HD23 LEU A 42 -0.285 3.191 -0.032 1.00 40.35 H new ATOM 736 N SER A 43 -5.190 4.168 -1.391 1.00 51.33 N ATOM 737 CA SER A 43 -6.435 3.849 -2.148 1.00 51.31 C ATOM 738 C SER A 43 -6.272 4.083 -3.664 1.00 65.32 C ATOM 739 O SER A 43 -6.746 3.279 -4.474 1.00 5.03 O ATOM 740 CB SER A 43 -7.624 4.673 -1.622 1.00 5.33 C ATOM 741 OG SER A 43 -7.970 4.292 -0.309 1.00 0.02 O ATOM 0 H SER A 43 -5.269 4.991 -0.794 1.00 51.33 H new ATOM 0 HA SER A 43 -6.633 2.789 -1.991 1.00 51.31 H new ATOM 0 HB2 SER A 43 -7.371 5.733 -1.641 1.00 5.33 H new ATOM 0 HB3 SER A 43 -8.482 4.538 -2.280 1.00 5.33 H new ATOM 0 HG SER A 43 -7.423 4.792 0.332 1.00 0.02 H new ATOM 747 N GLY A 44 -5.612 5.198 -4.031 1.00 4.03 N ATOM 748 CA GLY A 44 -5.282 5.488 -5.437 1.00 3.24 C ATOM 749 C GLY A 44 -4.264 4.494 -6.008 1.00 14.04 C ATOM 750 O GLY A 44 -4.385 4.043 -7.156 1.00 10.24 O ATOM 0 H GLY A 44 -5.298 5.911 -3.373 1.00 4.03 H new ATOM 0 HA2 GLY A 44 -6.192 5.458 -6.036 1.00 3.24 H new ATOM 0 HA3 GLY A 44 -4.883 6.499 -5.514 1.00 3.24 H new ATOM 754 N PHE A 45 -3.254 4.165 -5.174 1.00 33.22 N ATOM 755 CA PHE A 45 -2.253 3.114 -5.458 1.00 34.04 C ATOM 756 C PHE A 45 -2.934 1.739 -5.661 1.00 53.25 C ATOM 757 O PHE A 45 -2.576 0.977 -6.558 1.00 33.43 O ATOM 758 CB PHE A 45 -1.236 3.050 -4.281 1.00 44.53 C ATOM 759 CG PHE A 45 -0.107 2.035 -4.455 1.00 71.03 C ATOM 760 CD1 PHE A 45 1.008 2.336 -5.225 1.00 14.34 C ATOM 761 CD2 PHE A 45 -0.159 0.779 -3.849 1.00 3.51 C ATOM 762 CE1 PHE A 45 2.029 1.422 -5.386 1.00 5.15 C ATOM 763 CE2 PHE A 45 0.867 -0.135 -4.012 1.00 41.20 C ATOM 764 CZ PHE A 45 1.962 0.188 -4.780 1.00 73.53 C ATOM 0 H PHE A 45 -3.109 4.626 -4.276 1.00 33.22 H new ATOM 0 HA PHE A 45 -1.729 3.361 -6.381 1.00 34.04 H new ATOM 0 HB2 PHE A 45 -0.797 4.039 -4.146 1.00 44.53 H new ATOM 0 HB3 PHE A 45 -1.778 2.814 -3.365 1.00 44.53 H new ATOM 0 HD1 PHE A 45 1.077 3.301 -5.706 1.00 14.34 H new ATOM 0 HD2 PHE A 45 -1.014 0.516 -3.243 1.00 3.51 H new ATOM 0 HE1 PHE A 45 2.886 1.676 -5.991 1.00 5.15 H new ATOM 0 HE2 PHE A 45 0.808 -1.103 -3.536 1.00 41.20 H new ATOM 0 HZ PHE A 45 2.765 -0.523 -4.907 1.00 73.53 H new ATOM 774 N ALA A 46 -3.936 1.459 -4.819 1.00 35.32 N ATOM 775 CA ALA A 46 -4.638 0.168 -4.790 1.00 53.50 C ATOM 776 C ALA A 46 -5.531 -0.053 -6.032 1.00 53.43 C ATOM 777 O ALA A 46 -5.522 -1.131 -6.633 1.00 74.54 O ATOM 778 CB ALA A 46 -5.458 0.040 -3.499 1.00 51.13 C ATOM 0 H ALA A 46 -4.286 2.127 -4.132 1.00 35.32 H new ATOM 0 HA ALA A 46 -3.878 -0.613 -4.811 1.00 53.50 H new ATOM 0 HB1 ALA A 46 -5.973 -0.920 -3.489 1.00 51.13 H new ATOM 0 HB2 ALA A 46 -4.793 0.104 -2.638 1.00 51.13 H new ATOM 0 HB3 ALA A 46 -6.191 0.846 -3.452 1.00 51.13 H new ATOM 784 N ALA A 47 -6.284 0.986 -6.415 1.00 73.44 N ATOM 785 CA ALA A 47 -7.204 0.939 -7.577 1.00 74.31 C ATOM 786 C ALA A 47 -6.451 0.736 -8.921 1.00 10.22 C ATOM 787 O ALA A 47 -6.991 0.156 -9.871 1.00 55.33 O ATOM 788 CB ALA A 47 -8.044 2.223 -7.617 1.00 62.42 C ATOM 0 H ALA A 47 -6.278 1.885 -5.934 1.00 73.44 H new ATOM 0 HA ALA A 47 -7.857 0.075 -7.451 1.00 74.31 H new ATOM 0 HB1 ALA A 47 -8.720 2.189 -8.471 1.00 62.42 H new ATOM 0 HB2 ALA A 47 -8.624 2.307 -6.698 1.00 62.42 H new ATOM 0 HB3 ALA A 47 -7.385 3.086 -7.710 1.00 62.42 H new ATOM 794 N LYS A 48 -5.195 1.211 -8.968 1.00 55.03 N ATOM 795 CA LYS A 48 -4.339 1.155 -10.173 1.00 55.14 C ATOM 796 C LYS A 48 -3.486 -0.145 -10.240 1.00 1.52 C ATOM 797 O LYS A 48 -3.533 -0.887 -11.228 1.00 42.55 O ATOM 798 CB LYS A 48 -3.423 2.405 -10.173 1.00 72.22 C ATOM 799 CG LYS A 48 -2.445 2.506 -11.366 1.00 55.31 C ATOM 800 CD LYS A 48 -1.602 3.804 -11.336 1.00 64.11 C ATOM 801 CE LYS A 48 -2.460 5.072 -11.469 1.00 60.14 C ATOM 802 NZ LYS A 48 -3.178 5.129 -12.772 1.00 0.05 N ATOM 0 H LYS A 48 -4.739 1.648 -8.167 1.00 55.03 H new ATOM 0 HA LYS A 48 -4.980 1.145 -11.055 1.00 55.14 H new ATOM 0 HB2 LYS A 48 -4.051 3.296 -10.163 1.00 72.22 H new ATOM 0 HB3 LYS A 48 -2.845 2.412 -9.249 1.00 72.22 H new ATOM 0 HG2 LYS A 48 -1.778 1.644 -11.358 1.00 55.31 H new ATOM 0 HG3 LYS A 48 -3.009 2.465 -12.298 1.00 55.31 H new ATOM 0 HD2 LYS A 48 -1.041 3.846 -10.403 1.00 64.11 H new ATOM 0 HD3 LYS A 48 -0.873 3.777 -12.146 1.00 64.11 H new ATOM 0 HE2 LYS A 48 -3.184 5.106 -10.655 1.00 60.14 H new ATOM 0 HE3 LYS A 48 -1.824 5.952 -11.367 1.00 60.14 H new ATOM 0 HZ1 LYS A 48 -3.634 6.058 -12.877 1.00 0.05 H new ATOM 0 HZ2 LYS A 48 -2.501 4.987 -13.548 1.00 0.05 H new ATOM 0 HZ3 LYS A 48 -3.901 4.383 -12.803 1.00 0.05 H new ATOM 816 N TYR A 49 -2.707 -0.404 -9.173 1.00 33.20 N ATOM 817 CA TYR A 49 -1.678 -1.477 -9.147 1.00 23.35 C ATOM 818 C TYR A 49 -2.275 -2.889 -8.920 1.00 55.33 C ATOM 819 O TYR A 49 -1.837 -3.846 -9.562 1.00 70.01 O ATOM 820 CB TYR A 49 -0.596 -1.153 -8.080 1.00 41.31 C ATOM 821 CG TYR A 49 0.365 -0.009 -8.471 1.00 51.12 C ATOM 822 CD1 TYR A 49 -0.070 1.318 -8.561 1.00 75.24 C ATOM 823 CD2 TYR A 49 1.715 -0.261 -8.742 1.00 55.11 C ATOM 824 CE1 TYR A 49 0.798 2.341 -8.906 1.00 62.02 C ATOM 825 CE2 TYR A 49 2.584 0.758 -9.089 1.00 74.14 C ATOM 826 CZ TYR A 49 2.122 2.057 -9.168 1.00 12.23 C ATOM 827 OH TYR A 49 2.988 3.077 -9.506 1.00 35.31 O ATOM 0 H TYR A 49 -2.768 0.121 -8.301 1.00 33.20 H new ATOM 0 HA TYR A 49 -1.217 -1.500 -10.134 1.00 23.35 H new ATOM 0 HB2 TYR A 49 -1.092 -0.891 -7.146 1.00 41.31 H new ATOM 0 HB3 TYR A 49 -0.011 -2.053 -7.889 1.00 41.31 H new ATOM 0 HD1 TYR A 49 -1.105 1.550 -8.357 1.00 75.24 H new ATOM 0 HD2 TYR A 49 2.086 -1.273 -8.679 1.00 55.11 H new ATOM 0 HE1 TYR A 49 0.439 3.358 -8.970 1.00 62.02 H new ATOM 0 HE2 TYR A 49 3.621 0.538 -9.297 1.00 74.14 H new ATOM 0 HH TYR A 49 3.884 2.709 -9.658 1.00 35.31 H new ATOM 837 N LEU A 50 -3.275 -3.021 -8.017 1.00 33.25 N ATOM 838 CA LEU A 50 -3.941 -4.336 -7.742 1.00 32.11 C ATOM 839 C LEU A 50 -4.666 -4.904 -8.986 1.00 23.11 C ATOM 840 O LEU A 50 -4.893 -6.115 -9.076 1.00 52.25 O ATOM 841 CB LEU A 50 -4.942 -4.251 -6.557 1.00 64.11 C ATOM 842 CG LEU A 50 -4.343 -4.362 -5.122 1.00 3.02 C ATOM 843 CD1 LEU A 50 -3.471 -3.168 -4.735 1.00 63.51 C ATOM 844 CD2 LEU A 50 -5.448 -4.583 -4.090 1.00 2.52 C ATOM 0 H LEU A 50 -3.643 -2.246 -7.466 1.00 33.25 H new ATOM 0 HA LEU A 50 -3.134 -5.017 -7.471 1.00 32.11 H new ATOM 0 HB2 LEU A 50 -5.475 -3.303 -6.630 1.00 64.11 H new ATOM 0 HB3 LEU A 50 -5.681 -5.043 -6.679 1.00 64.11 H new ATOM 0 HG LEU A 50 -3.684 -5.230 -5.132 1.00 3.02 H new ATOM 0 HD11 LEU A 50 -3.087 -3.310 -3.725 1.00 63.51 H new ATOM 0 HD12 LEU A 50 -2.637 -3.085 -5.432 1.00 63.51 H new ATOM 0 HD13 LEU A 50 -4.066 -2.256 -4.771 1.00 63.51 H new ATOM 0 HD21 LEU A 50 -5.008 -4.658 -3.096 1.00 2.52 H new ATOM 0 HD22 LEU A 50 -6.144 -3.744 -4.117 1.00 2.52 H new ATOM 0 HD23 LEU A 50 -5.982 -5.505 -4.320 1.00 2.52 H new ATOM 856 N LYS A 51 -5.045 -4.007 -9.908 1.00 2.24 N ATOM 857 CA LYS A 51 -5.688 -4.370 -11.188 1.00 53.13 C ATOM 858 C LYS A 51 -4.791 -5.313 -12.036 1.00 21.44 C ATOM 859 O LYS A 51 -5.287 -6.219 -12.715 1.00 5.44 O ATOM 860 CB LYS A 51 -6.004 -3.070 -11.986 1.00 30.11 C ATOM 861 CG LYS A 51 -6.813 -3.283 -13.287 1.00 12.15 C ATOM 862 CD LYS A 51 -8.264 -3.777 -13.033 1.00 75.41 C ATOM 863 CE LYS A 51 -9.120 -2.752 -12.260 1.00 40.02 C ATOM 864 NZ LYS A 51 -9.173 -1.436 -12.948 1.00 53.51 N ATOM 0 H LYS A 51 -4.915 -3.002 -9.790 1.00 2.24 H new ATOM 0 HA LYS A 51 -6.610 -4.909 -10.969 1.00 53.13 H new ATOM 0 HB2 LYS A 51 -6.558 -2.390 -11.339 1.00 30.11 H new ATOM 0 HB3 LYS A 51 -5.064 -2.578 -12.237 1.00 30.11 H new ATOM 0 HG2 LYS A 51 -6.847 -2.346 -13.843 1.00 12.15 H new ATOM 0 HG3 LYS A 51 -6.294 -4.007 -13.915 1.00 12.15 H new ATOM 0 HD2 LYS A 51 -8.741 -3.994 -13.989 1.00 75.41 H new ATOM 0 HD3 LYS A 51 -8.232 -4.712 -12.473 1.00 75.41 H new ATOM 0 HE2 LYS A 51 -10.132 -3.140 -12.143 1.00 40.02 H new ATOM 0 HE3 LYS A 51 -8.711 -2.621 -11.258 1.00 40.02 H new ATOM 0 HZ1 LYS A 51 -9.875 -0.828 -12.481 1.00 53.51 H new ATOM 0 HZ2 LYS A 51 -8.238 -0.983 -12.903 1.00 53.51 H new ATOM 0 HZ3 LYS A 51 -9.443 -1.575 -13.943 1.00 53.51 H new ATOM 878 N LYS A 52 -3.460 -5.090 -11.970 1.00 22.03 N ATOM 879 CA LYS A 52 -2.470 -5.806 -12.809 1.00 62.01 C ATOM 880 C LYS A 52 -1.475 -6.678 -11.995 1.00 50.42 C ATOM 881 O LYS A 52 -0.741 -7.479 -12.588 1.00 33.04 O ATOM 882 CB LYS A 52 -1.716 -4.776 -13.686 1.00 55.13 C ATOM 883 CG LYS A 52 -1.053 -3.619 -12.900 1.00 65.52 C ATOM 884 CD LYS A 52 -0.365 -2.603 -13.832 1.00 34.20 C ATOM 885 CE LYS A 52 0.228 -1.396 -13.083 1.00 22.24 C ATOM 886 NZ LYS A 52 0.938 -0.483 -14.011 1.00 34.13 N ATOM 0 H LYS A 52 -3.041 -4.410 -11.335 1.00 22.03 H new ATOM 0 HA LYS A 52 -3.020 -6.508 -13.436 1.00 62.01 H new ATOM 0 HB2 LYS A 52 -0.947 -5.298 -14.255 1.00 55.13 H new ATOM 0 HB3 LYS A 52 -2.415 -4.353 -14.408 1.00 55.13 H new ATOM 0 HG2 LYS A 52 -1.808 -3.108 -12.302 1.00 65.52 H new ATOM 0 HG3 LYS A 52 -0.319 -4.027 -12.205 1.00 65.52 H new ATOM 0 HD2 LYS A 52 0.429 -3.106 -14.383 1.00 34.20 H new ATOM 0 HD3 LYS A 52 -1.087 -2.247 -14.567 1.00 34.20 H new ATOM 0 HE2 LYS A 52 -0.569 -0.854 -12.574 1.00 22.24 H new ATOM 0 HE3 LYS A 52 0.917 -1.745 -12.314 1.00 22.24 H new ATOM 0 HZ1 LYS A 52 1.327 0.321 -13.478 1.00 34.13 H new ATOM 0 HZ2 LYS A 52 1.713 -0.996 -14.478 1.00 34.13 H new ATOM 0 HZ3 LYS A 52 0.273 -0.132 -14.730 1.00 34.13 H new ATOM 900 N MET A 53 -1.436 -6.530 -10.652 1.00 54.04 N ATOM 901 CA MET A 53 -0.553 -7.365 -9.790 1.00 20.13 C ATOM 902 C MET A 53 -1.138 -8.780 -9.567 1.00 20.31 C ATOM 903 O MET A 53 -2.344 -8.946 -9.375 1.00 55.40 O ATOM 904 CB MET A 53 -0.244 -6.684 -8.417 1.00 64.52 C ATOM 905 CG MET A 53 0.855 -5.611 -8.467 1.00 52.02 C ATOM 906 SD MET A 53 1.422 -5.067 -6.833 1.00 1.23 S ATOM 907 CE MET A 53 -0.066 -4.375 -6.116 1.00 73.33 C ATOM 0 H MET A 53 -1.997 -5.849 -10.141 1.00 54.04 H new ATOM 0 HA MET A 53 0.388 -7.464 -10.330 1.00 20.13 H new ATOM 0 HB2 MET A 53 -1.159 -6.230 -8.038 1.00 64.52 H new ATOM 0 HB3 MET A 53 0.050 -7.453 -7.703 1.00 64.52 H new ATOM 0 HG2 MET A 53 1.706 -6.002 -9.025 1.00 52.02 H new ATOM 0 HG3 MET A 53 0.482 -4.748 -9.018 1.00 52.02 H new ATOM 0 HE1 MET A 53 0.165 -3.415 -5.655 1.00 73.33 H new ATOM 0 HE2 MET A 53 -0.814 -4.233 -6.896 1.00 73.33 H new ATOM 0 HE3 MET A 53 -0.456 -5.056 -5.359 1.00 73.33 H new ATOM 917 N ASN A 54 -0.238 -9.783 -9.580 1.00 1.24 N ATOM 918 CA ASN A 54 -0.570 -11.202 -9.317 1.00 71.44 C ATOM 919 C ASN A 54 -0.863 -11.382 -7.808 1.00 24.20 C ATOM 920 O ASN A 54 -0.457 -10.542 -6.994 1.00 61.50 O ATOM 921 CB ASN A 54 0.623 -12.101 -9.781 1.00 64.53 C ATOM 922 CG ASN A 54 0.324 -13.609 -9.947 1.00 1.51 C ATOM 923 OD1 ASN A 54 -0.549 -14.181 -9.313 1.00 51.11 O ATOM 924 ND2 ASN A 54 1.080 -14.269 -10.801 1.00 53.53 N ATOM 0 H ASN A 54 0.752 -9.632 -9.775 1.00 1.24 H new ATOM 0 HA ASN A 54 -1.458 -11.500 -9.875 1.00 71.44 H new ATOM 0 HB2 ASN A 54 0.989 -11.718 -10.734 1.00 64.53 H new ATOM 0 HB3 ASN A 54 1.434 -11.991 -9.061 1.00 64.53 H new ATOM 0 HD21 ASN A 54 0.939 -15.270 -10.939 1.00 53.53 H new ATOM 0 HD22 ASN A 54 1.806 -13.779 -11.324 1.00 53.53 H new ATOM 931 N GLU A 55 -1.552 -12.481 -7.456 1.00 65.12 N ATOM 932 CA GLU A 55 -1.951 -12.800 -6.065 1.00 21.03 C ATOM 933 C GLU A 55 -0.759 -12.708 -5.079 1.00 1.11 C ATOM 934 O GLU A 55 -0.897 -12.164 -3.992 1.00 14.51 O ATOM 935 CB GLU A 55 -2.588 -14.218 -5.998 1.00 3.44 C ATOM 936 CG GLU A 55 -2.964 -14.661 -4.573 1.00 43.24 C ATOM 937 CD GLU A 55 -3.792 -15.955 -4.512 1.00 1.13 C ATOM 938 OE1 GLU A 55 -3.218 -17.050 -4.662 1.00 4.11 O ATOM 939 OE2 GLU A 55 -5.023 -15.878 -4.280 1.00 71.40 O ATOM 0 H GLU A 55 -1.853 -13.183 -8.132 1.00 65.12 H new ATOM 0 HA GLU A 55 -2.687 -12.055 -5.762 1.00 21.03 H new ATOM 0 HB2 GLU A 55 -3.482 -14.235 -6.622 1.00 3.44 H new ATOM 0 HB3 GLU A 55 -1.890 -14.940 -6.421 1.00 3.44 H new ATOM 0 HG2 GLU A 55 -2.050 -14.800 -3.995 1.00 43.24 H new ATOM 0 HG3 GLU A 55 -3.526 -13.860 -4.092 1.00 43.24 H new ATOM 946 N GLU A 56 0.404 -13.225 -5.516 1.00 14.14 N ATOM 947 CA GLU A 56 1.677 -13.187 -4.749 1.00 5.44 C ATOM 948 C GLU A 56 2.095 -11.742 -4.327 1.00 64.43 C ATOM 949 O GLU A 56 2.543 -11.519 -3.195 1.00 75.54 O ATOM 950 CB GLU A 56 2.790 -13.853 -5.604 1.00 71.53 C ATOM 951 CG GLU A 56 3.024 -13.195 -6.986 1.00 35.25 C ATOM 952 CD GLU A 56 4.086 -13.904 -7.835 1.00 61.13 C ATOM 953 OE1 GLU A 56 5.275 -13.887 -7.448 1.00 5.20 O ATOM 954 OE2 GLU A 56 3.746 -14.473 -8.895 1.00 72.01 O ATOM 0 H GLU A 56 0.494 -13.687 -6.421 1.00 14.14 H new ATOM 0 HA GLU A 56 1.528 -13.736 -3.820 1.00 5.44 H new ATOM 0 HB2 GLU A 56 3.724 -13.829 -5.043 1.00 71.53 H new ATOM 0 HB3 GLU A 56 2.535 -14.902 -5.755 1.00 71.53 H new ATOM 0 HG2 GLU A 56 2.083 -13.180 -7.535 1.00 35.25 H new ATOM 0 HG3 GLU A 56 3.323 -12.157 -6.838 1.00 35.25 H new ATOM 961 N GLU A 57 1.945 -10.777 -5.256 1.00 41.33 N ATOM 962 CA GLU A 57 2.269 -9.348 -5.015 1.00 5.25 C ATOM 963 C GLU A 57 1.190 -8.680 -4.134 1.00 71.41 C ATOM 964 O GLU A 57 1.482 -7.782 -3.344 1.00 15.23 O ATOM 965 CB GLU A 57 2.399 -8.610 -6.367 1.00 71.13 C ATOM 966 CG GLU A 57 3.429 -9.233 -7.323 1.00 12.41 C ATOM 967 CD GLU A 57 3.513 -8.499 -8.667 1.00 52.12 C ATOM 968 OE1 GLU A 57 2.693 -8.787 -9.563 1.00 25.34 O ATOM 969 OE2 GLU A 57 4.397 -7.630 -8.830 1.00 52.22 O ATOM 0 H GLU A 57 1.596 -10.962 -6.196 1.00 41.33 H new ATOM 0 HA GLU A 57 3.218 -9.288 -4.483 1.00 5.25 H new ATOM 0 HB2 GLU A 57 1.425 -8.597 -6.857 1.00 71.13 H new ATOM 0 HB3 GLU A 57 2.675 -7.573 -6.178 1.00 71.13 H new ATOM 0 HG2 GLU A 57 4.410 -9.225 -6.848 1.00 12.41 H new ATOM 0 HG3 GLU A 57 3.169 -10.277 -7.500 1.00 12.41 H new ATOM 976 N LEU A 58 -0.064 -9.118 -4.321 1.00 41.24 N ATOM 977 CA LEU A 58 -1.196 -8.748 -3.436 1.00 44.14 C ATOM 978 C LEU A 58 -1.007 -9.266 -1.976 1.00 31.31 C ATOM 979 O LEU A 58 -1.470 -8.633 -1.022 1.00 1.32 O ATOM 980 CB LEU A 58 -2.541 -9.272 -4.020 1.00 2.23 C ATOM 981 CG LEU A 58 -2.873 -8.863 -5.496 1.00 24.35 C ATOM 982 CD1 LEU A 58 -4.328 -9.208 -5.872 1.00 11.45 C ATOM 983 CD2 LEU A 58 -2.571 -7.380 -5.755 1.00 10.10 C ATOM 0 H LEU A 58 -0.329 -9.738 -5.086 1.00 41.24 H new ATOM 0 HA LEU A 58 -1.220 -7.659 -3.393 1.00 44.14 H new ATOM 0 HB2 LEU A 58 -2.537 -10.360 -3.961 1.00 2.23 H new ATOM 0 HB3 LEU A 58 -3.350 -8.921 -3.379 1.00 2.23 H new ATOM 0 HG LEU A 58 -2.220 -9.450 -6.142 1.00 24.35 H new ATOM 0 HD11 LEU A 58 -4.518 -8.909 -6.903 1.00 11.45 H new ATOM 0 HD12 LEU A 58 -4.485 -10.282 -5.771 1.00 11.45 H new ATOM 0 HD13 LEU A 58 -5.011 -8.678 -5.208 1.00 11.45 H new ATOM 0 HD21 LEU A 58 -2.814 -7.134 -6.789 1.00 10.10 H new ATOM 0 HD22 LEU A 58 -3.171 -6.764 -5.085 1.00 10.10 H new ATOM 0 HD23 LEU A 58 -1.513 -7.187 -5.575 1.00 10.10 H new ATOM 995 N GLU A 59 -0.321 -10.418 -1.809 1.00 42.34 N ATOM 996 CA GLU A 59 0.033 -10.958 -0.472 1.00 44.44 C ATOM 997 C GLU A 59 1.067 -10.044 0.226 1.00 34.45 C ATOM 998 O GLU A 59 1.007 -9.828 1.444 1.00 35.41 O ATOM 999 CB GLU A 59 0.577 -12.412 -0.586 1.00 50.14 C ATOM 1000 CG GLU A 59 -0.407 -13.456 -1.193 1.00 33.33 C ATOM 1001 CD GLU A 59 -1.604 -13.849 -0.293 1.00 10.51 C ATOM 1002 OE1 GLU A 59 -2.393 -12.961 0.098 1.00 25.10 O ATOM 1003 OE2 GLU A 59 -1.783 -15.051 0.001 1.00 43.11 O ATOM 0 H GLU A 59 0.001 -10.996 -2.585 1.00 42.34 H new ATOM 0 HA GLU A 59 -0.872 -10.982 0.135 1.00 44.44 H new ATOM 0 HB2 GLU A 59 1.481 -12.395 -1.195 1.00 50.14 H new ATOM 0 HB3 GLU A 59 0.869 -12.750 0.408 1.00 50.14 H new ATOM 0 HG2 GLU A 59 -0.796 -13.060 -2.131 1.00 33.33 H new ATOM 0 HG3 GLU A 59 0.154 -14.359 -1.436 1.00 33.33 H new ATOM 1010 N GLU A 60 2.004 -9.514 -0.580 1.00 61.32 N ATOM 1011 CA GLU A 60 2.962 -8.474 -0.145 1.00 3.44 C ATOM 1012 C GLU A 60 2.230 -7.144 0.185 1.00 3.03 C ATOM 1013 O GLU A 60 2.608 -6.438 1.123 1.00 41.13 O ATOM 1014 CB GLU A 60 4.041 -8.246 -1.248 1.00 20.35 C ATOM 1015 CG GLU A 60 5.032 -7.074 -0.996 1.00 64.40 C ATOM 1016 CD GLU A 60 6.076 -7.325 0.113 1.00 10.21 C ATOM 1017 OE1 GLU A 60 5.704 -7.393 1.310 1.00 52.12 O ATOM 1018 OE2 GLU A 60 7.280 -7.459 -0.210 1.00 22.42 O ATOM 0 H GLU A 60 2.121 -9.793 -1.554 1.00 61.32 H new ATOM 0 HA GLU A 60 3.454 -8.819 0.764 1.00 3.44 H new ATOM 0 HB2 GLU A 60 4.616 -9.165 -1.362 1.00 20.35 H new ATOM 0 HB3 GLU A 60 3.532 -8.069 -2.196 1.00 20.35 H new ATOM 0 HG2 GLU A 60 5.558 -6.857 -1.926 1.00 64.40 H new ATOM 0 HG3 GLU A 60 4.459 -6.183 -0.739 1.00 64.40 H new ATOM 1025 N TYR A 61 1.179 -6.807 -0.596 1.00 72.14 N ATOM 1026 CA TYR A 61 0.369 -5.586 -0.359 1.00 52.42 C ATOM 1027 C TYR A 61 -0.396 -5.656 0.987 1.00 33.24 C ATOM 1028 O TYR A 61 -0.611 -4.628 1.646 1.00 21.02 O ATOM 1029 CB TYR A 61 -0.616 -5.323 -1.527 1.00 11.14 C ATOM 1030 CG TYR A 61 -1.312 -3.959 -1.418 1.00 13.13 C ATOM 1031 CD1 TYR A 61 -0.582 -2.783 -1.586 1.00 51.12 C ATOM 1032 CD2 TYR A 61 -2.669 -3.839 -1.099 1.00 33.10 C ATOM 1033 CE1 TYR A 61 -1.172 -1.550 -1.454 1.00 25.40 C ATOM 1034 CE2 TYR A 61 -3.263 -2.598 -0.960 1.00 13.11 C ATOM 1035 CZ TYR A 61 -2.504 -1.457 -1.141 1.00 20.34 C ATOM 1036 OH TYR A 61 -3.077 -0.219 -1.004 1.00 52.44 O ATOM 0 H TYR A 61 0.871 -7.361 -1.395 1.00 72.14 H new ATOM 0 HA TYR A 61 1.067 -4.750 -0.306 1.00 52.42 H new ATOM 0 HB2 TYR A 61 -0.075 -5.376 -2.472 1.00 11.14 H new ATOM 0 HB3 TYR A 61 -1.369 -6.110 -1.546 1.00 11.14 H new ATOM 0 HD1 TYR A 61 0.470 -2.843 -1.825 1.00 51.12 H new ATOM 0 HD2 TYR A 61 -3.262 -4.730 -0.959 1.00 33.10 H new ATOM 0 HE1 TYR A 61 -0.587 -0.653 -1.597 1.00 25.40 H new ATOM 0 HE2 TYR A 61 -4.311 -2.521 -0.712 1.00 13.11 H new ATOM 0 HH TYR A 61 -2.615 0.421 -1.585 1.00 52.44 H new ATOM 1046 N ASP A 62 -0.796 -6.875 1.378 1.00 3.32 N ATOM 1047 CA ASP A 62 -1.414 -7.141 2.692 1.00 31.31 C ATOM 1048 C ASP A 62 -0.447 -6.749 3.846 1.00 13.15 C ATOM 1049 O ASP A 62 -0.877 -6.196 4.862 1.00 23.01 O ATOM 1050 CB ASP A 62 -1.811 -8.634 2.779 1.00 31.21 C ATOM 1051 CG ASP A 62 -2.595 -8.982 4.056 1.00 13.12 C ATOM 1052 OD1 ASP A 62 -3.836 -8.875 4.050 1.00 10.23 O ATOM 1053 OD2 ASP A 62 -1.973 -9.356 5.076 1.00 51.30 O ATOM 0 H ASP A 62 -0.702 -7.706 0.795 1.00 3.32 H new ATOM 0 HA ASP A 62 -2.311 -6.531 2.797 1.00 31.31 H new ATOM 0 HB2 ASP A 62 -2.414 -8.894 1.909 1.00 31.21 H new ATOM 0 HB3 ASP A 62 -0.910 -9.245 2.736 1.00 31.21 H new ATOM 1058 N SER A 63 0.861 -7.023 3.640 1.00 40.42 N ATOM 1059 CA SER A 63 1.944 -6.651 4.589 1.00 4.14 C ATOM 1060 C SER A 63 2.009 -5.124 4.811 1.00 10.03 C ATOM 1061 O SER A 63 2.270 -4.662 5.920 1.00 3.12 O ATOM 1062 CB SER A 63 3.322 -7.133 4.071 1.00 13.54 C ATOM 1063 OG SER A 63 3.282 -8.482 3.639 1.00 61.43 O ATOM 0 H SER A 63 1.200 -7.509 2.810 1.00 40.42 H new ATOM 0 HA SER A 63 1.712 -7.139 5.535 1.00 4.14 H new ATOM 0 HB2 SER A 63 3.642 -6.497 3.246 1.00 13.54 H new ATOM 0 HB3 SER A 63 4.064 -7.027 4.862 1.00 13.54 H new ATOM 0 HG SER A 63 4.169 -8.749 3.318 1.00 61.43 H new ATOM 1069 N LEU A 64 1.775 -4.353 3.725 1.00 72.13 N ATOM 1070 CA LEU A 64 1.764 -2.872 3.760 1.00 33.33 C ATOM 1071 C LEU A 64 0.561 -2.341 4.577 1.00 64.01 C ATOM 1072 O LEU A 64 0.662 -1.332 5.272 1.00 42.04 O ATOM 1073 CB LEU A 64 1.740 -2.324 2.308 1.00 25.40 C ATOM 1074 CG LEU A 64 1.912 -0.780 2.140 1.00 34.02 C ATOM 1075 CD1 LEU A 64 3.254 -0.287 2.740 1.00 22.10 C ATOM 1076 CD2 LEU A 64 1.767 -0.364 0.654 1.00 13.30 C ATOM 0 H LEU A 64 1.588 -4.739 2.800 1.00 72.13 H new ATOM 0 HA LEU A 64 2.669 -2.522 4.257 1.00 33.33 H new ATOM 0 HB2 LEU A 64 2.531 -2.818 1.744 1.00 25.40 H new ATOM 0 HB3 LEU A 64 0.794 -2.613 1.850 1.00 25.40 H new ATOM 0 HG LEU A 64 1.113 -0.295 2.701 1.00 34.02 H new ATOM 0 HD11 LEU A 64 3.339 0.791 2.605 1.00 22.10 H new ATOM 0 HD12 LEU A 64 3.285 -0.523 3.804 1.00 22.10 H new ATOM 0 HD13 LEU A 64 4.083 -0.782 2.234 1.00 22.10 H new ATOM 0 HD21 LEU A 64 1.891 0.715 0.565 1.00 13.30 H new ATOM 0 HD22 LEU A 64 2.529 -0.867 0.059 1.00 13.30 H new ATOM 0 HD23 LEU A 64 0.779 -0.647 0.292 1.00 13.30 H new ATOM 1088 N LEU A 65 -0.574 -3.057 4.493 1.00 24.35 N ATOM 1089 CA LEU A 65 -1.792 -2.751 5.287 1.00 72.34 C ATOM 1090 C LEU A 65 -1.616 -3.144 6.780 1.00 55.52 C ATOM 1091 O LEU A 65 -2.325 -2.632 7.655 1.00 24.44 O ATOM 1092 CB LEU A 65 -3.009 -3.487 4.672 1.00 13.12 C ATOM 1093 CG LEU A 65 -3.283 -3.191 3.162 1.00 43.22 C ATOM 1094 CD1 LEU A 65 -4.470 -4.017 2.640 1.00 10.40 C ATOM 1095 CD2 LEU A 65 -3.488 -1.677 2.906 1.00 43.13 C ATOM 0 H LEU A 65 -0.680 -3.863 3.877 1.00 24.35 H new ATOM 0 HA LEU A 65 -1.962 -1.675 5.253 1.00 72.34 H new ATOM 0 HB2 LEU A 65 -2.861 -4.560 4.793 1.00 13.12 H new ATOM 0 HB3 LEU A 65 -3.898 -3.222 5.243 1.00 13.12 H new ATOM 0 HG LEU A 65 -2.398 -3.495 2.602 1.00 43.22 H new ATOM 0 HD11 LEU A 65 -4.636 -3.790 1.587 1.00 10.40 H new ATOM 0 HD12 LEU A 65 -4.251 -5.079 2.752 1.00 10.40 H new ATOM 0 HD13 LEU A 65 -5.365 -3.769 3.211 1.00 10.40 H new ATOM 0 HD21 LEU A 65 -3.676 -1.509 1.845 1.00 43.13 H new ATOM 0 HD22 LEU A 65 -4.340 -1.322 3.486 1.00 43.13 H new ATOM 0 HD23 LEU A 65 -2.593 -1.133 3.206 1.00 43.13 H new ATOM 1107 N ASN A 66 -0.667 -4.066 7.047 1.00 62.21 N ATOM 1108 CA ASN A 66 -0.289 -4.481 8.423 1.00 64.15 C ATOM 1109 C ASN A 66 0.665 -3.456 9.100 1.00 64.10 C ATOM 1110 O ASN A 66 0.969 -3.581 10.294 1.00 41.13 O ATOM 1111 CB ASN A 66 0.364 -5.890 8.388 1.00 61.42 C ATOM 1112 CG ASN A 66 -0.582 -6.983 7.878 1.00 3.41 C ATOM 1113 OD1 ASN A 66 -1.791 -6.928 8.086 1.00 53.45 O ATOM 1114 ND2 ASN A 66 -0.046 -7.981 7.200 1.00 61.43 N ATOM 0 H ASN A 66 -0.139 -4.546 6.318 1.00 62.21 H new ATOM 0 HA ASN A 66 -1.199 -4.517 9.022 1.00 64.15 H new ATOM 0 HB2 ASN A 66 1.248 -5.858 7.751 1.00 61.42 H new ATOM 0 HB3 ASN A 66 0.703 -6.151 9.391 1.00 61.42 H new ATOM 0 HD21 ASN A 66 -0.639 -8.727 6.837 1.00 61.43 H new ATOM 0 HD22 ASN A 66 0.961 -8.006 7.039 1.00 61.43 H new ATOM 1121 N GLU A 67 1.135 -2.449 8.333 1.00 71.21 N ATOM 1122 CA GLU A 67 1.996 -1.357 8.854 1.00 53.04 C ATOM 1123 C GLU A 67 1.132 -0.171 9.381 1.00 31.32 C ATOM 1124 O GLU A 67 -0.098 -0.185 9.268 1.00 12.30 O ATOM 1125 CB GLU A 67 2.967 -0.860 7.741 1.00 23.12 C ATOM 1126 CG GLU A 67 3.773 -1.965 7.024 1.00 14.24 C ATOM 1127 CD GLU A 67 4.711 -2.777 7.939 1.00 61.11 C ATOM 1128 OE1 GLU A 67 5.750 -2.230 8.380 1.00 1.42 O ATOM 1129 OE2 GLU A 67 4.465 -3.977 8.168 1.00 72.20 O ATOM 0 H GLU A 67 0.931 -2.367 7.337 1.00 71.21 H new ATOM 0 HA GLU A 67 2.580 -1.751 9.686 1.00 53.04 H new ATOM 0 HB2 GLU A 67 2.389 -0.314 6.996 1.00 23.12 H new ATOM 0 HB3 GLU A 67 3.668 -0.152 8.183 1.00 23.12 H new ATOM 0 HG2 GLU A 67 3.075 -2.650 6.543 1.00 14.24 H new ATOM 0 HG3 GLU A 67 4.367 -1.507 6.233 1.00 14.24 H new ATOM 1136 N LEU A 68 1.797 0.859 9.932 1.00 4.44 N ATOM 1137 CA LEU A 68 1.125 2.038 10.542 1.00 1.14 C ATOM 1138 C LEU A 68 0.950 3.175 9.510 1.00 51.21 C ATOM 1139 O LEU A 68 1.880 3.459 8.758 1.00 65.44 O ATOM 1140 CB LEU A 68 1.961 2.536 11.745 1.00 64.24 C ATOM 1141 CG LEU A 68 2.246 1.471 12.849 1.00 54.03 C ATOM 1142 CD1 LEU A 68 3.240 2.005 13.901 1.00 15.20 C ATOM 1143 CD2 LEU A 68 0.928 0.988 13.502 1.00 13.01 C ATOM 0 H LEU A 68 2.815 0.905 9.971 1.00 4.44 H new ATOM 0 HA LEU A 68 0.133 1.739 10.881 1.00 1.14 H new ATOM 0 HB2 LEU A 68 2.914 2.912 11.373 1.00 64.24 H new ATOM 0 HB3 LEU A 68 1.442 3.379 12.202 1.00 64.24 H new ATOM 0 HG LEU A 68 2.714 0.610 12.373 1.00 54.03 H new ATOM 0 HD11 LEU A 68 3.417 1.239 14.656 1.00 15.20 H new ATOM 0 HD12 LEU A 68 4.182 2.260 13.415 1.00 15.20 H new ATOM 0 HD13 LEU A 68 2.824 2.893 14.376 1.00 15.20 H new ATOM 0 HD21 LEU A 68 1.152 0.246 14.268 1.00 13.01 H new ATOM 0 HD22 LEU A 68 0.415 1.836 13.957 1.00 13.01 H new ATOM 0 HD23 LEU A 68 0.287 0.542 12.741 1.00 13.01 H new ATOM 1155 N ASP A 69 -0.234 3.828 9.516 1.00 34.14 N ATOM 1156 CA ASP A 69 -0.614 4.897 8.542 1.00 15.22 C ATOM 1157 C ASP A 69 0.476 5.996 8.349 1.00 4.03 C ATOM 1158 O ASP A 69 0.913 6.241 7.216 1.00 11.04 O ATOM 1159 CB ASP A 69 -1.977 5.531 8.942 1.00 22.34 C ATOM 1160 CG ASP A 69 -2.050 5.953 10.415 1.00 32.44 C ATOM 1161 OD1 ASP A 69 -2.274 5.070 11.275 1.00 11.13 O ATOM 1162 OD2 ASP A 69 -1.883 7.150 10.719 1.00 15.01 O ATOM 0 H ASP A 69 -0.965 3.632 10.200 1.00 34.14 H new ATOM 0 HA ASP A 69 -0.709 4.407 7.573 1.00 15.22 H new ATOM 0 HB2 ASP A 69 -2.161 6.402 8.314 1.00 22.34 H new ATOM 0 HB3 ASP A 69 -2.774 4.816 8.738 1.00 22.34 H new ATOM 1167 N TRP A 70 0.917 6.636 9.456 1.00 44.40 N ATOM 1168 CA TRP A 70 1.994 7.660 9.410 1.00 54.24 C ATOM 1169 C TRP A 70 3.320 7.094 8.850 1.00 22.43 C ATOM 1170 O TRP A 70 3.951 7.728 8.009 1.00 21.22 O ATOM 1171 CB TRP A 70 2.228 8.310 10.806 1.00 25.30 C ATOM 1172 CG TRP A 70 1.216 9.377 11.150 1.00 41.23 C ATOM 1173 CD1 TRP A 70 0.262 9.343 12.125 1.00 4.33 C ATOM 1174 CD2 TRP A 70 1.064 10.644 10.483 1.00 53.34 C ATOM 1175 NE1 TRP A 70 -0.457 10.511 12.116 1.00 51.43 N ATOM 1176 CE2 TRP A 70 0.013 11.322 11.116 1.00 34.23 C ATOM 1177 CE3 TRP A 70 1.718 11.265 9.407 1.00 31.24 C ATOM 1178 CZ2 TRP A 70 -0.401 12.593 10.716 1.00 11.15 C ATOM 1179 CZ3 TRP A 70 1.309 12.523 9.012 1.00 13.52 C ATOM 1180 CH2 TRP A 70 0.255 13.174 9.664 1.00 54.14 C ATOM 0 H TRP A 70 0.547 6.464 10.391 1.00 44.40 H new ATOM 0 HA TRP A 70 1.650 8.434 8.724 1.00 54.24 H new ATOM 0 HB2 TRP A 70 2.199 7.533 11.570 1.00 25.30 H new ATOM 0 HB3 TRP A 70 3.227 8.745 10.833 1.00 25.30 H new ATOM 0 HD1 TRP A 70 0.097 8.519 12.803 1.00 4.33 H new ATOM 0 HE1 TRP A 70 -1.220 10.740 12.753 1.00 51.43 H new ATOM 0 HE3 TRP A 70 2.528 10.766 8.896 1.00 31.24 H new ATOM 0 HZ2 TRP A 70 -1.211 13.101 11.219 1.00 11.15 H new ATOM 0 HZ3 TRP A 70 1.809 13.012 8.189 1.00 13.52 H new ATOM 0 HH2 TRP A 70 -0.047 14.156 9.330 1.00 54.14 H new ATOM 1191 N ASP A 71 3.703 5.885 9.291 1.00 14.12 N ATOM 1192 CA ASP A 71 4.966 5.232 8.871 1.00 71.22 C ATOM 1193 C ASP A 71 5.008 5.014 7.341 1.00 31.33 C ATOM 1194 O ASP A 71 5.972 5.408 6.684 1.00 61.11 O ATOM 1195 CB ASP A 71 5.137 3.896 9.635 1.00 30.04 C ATOM 1196 CG ASP A 71 5.358 4.101 11.142 1.00 23.21 C ATOM 1197 OD1 ASP A 71 4.511 4.755 11.793 1.00 34.01 O ATOM 1198 OD2 ASP A 71 6.373 3.620 11.689 1.00 33.53 O ATOM 0 H ASP A 71 3.153 5.330 9.946 1.00 14.12 H new ATOM 0 HA ASP A 71 5.799 5.889 9.119 1.00 71.22 H new ATOM 0 HB2 ASP A 71 4.252 3.278 9.482 1.00 30.04 H new ATOM 0 HB3 ASP A 71 5.983 3.349 9.219 1.00 30.04 H new ATOM 1203 N ILE A 72 3.919 4.432 6.801 1.00 41.11 N ATOM 1204 CA ILE A 72 3.720 4.221 5.340 1.00 51.23 C ATOM 1205 C ILE A 72 3.877 5.550 4.554 1.00 61.11 C ATOM 1206 O ILE A 72 4.521 5.597 3.499 1.00 53.41 O ATOM 1207 CB ILE A 72 2.285 3.630 5.059 1.00 14.21 C ATOM 1208 CG1 ILE A 72 2.066 2.282 5.819 1.00 51.20 C ATOM 1209 CG2 ILE A 72 2.025 3.453 3.540 1.00 43.30 C ATOM 1210 CD1 ILE A 72 0.625 1.786 5.830 1.00 3.04 C ATOM 0 H ILE A 72 3.142 4.090 7.366 1.00 41.11 H new ATOM 0 HA ILE A 72 4.482 3.517 5.006 1.00 51.23 H new ATOM 0 HB ILE A 72 1.562 4.353 5.437 1.00 14.21 H new ATOM 0 HG12 ILE A 72 2.696 1.517 5.364 1.00 51.20 H new ATOM 0 HG13 ILE A 72 2.403 2.402 6.849 1.00 51.20 H new ATOM 0 HG21 ILE A 72 1.026 3.044 3.387 1.00 43.30 H new ATOM 0 HG22 ILE A 72 2.101 4.420 3.043 1.00 43.30 H new ATOM 0 HG23 ILE A 72 2.765 2.771 3.121 1.00 43.30 H new ATOM 0 HD11 ILE A 72 0.568 0.846 6.379 1.00 3.04 H new ATOM 0 HD12 ILE A 72 -0.011 2.527 6.313 1.00 3.04 H new ATOM 0 HD13 ILE A 72 0.286 1.629 4.806 1.00 3.04 H new ATOM 1222 N TYR A 73 3.283 6.619 5.117 1.00 4.52 N ATOM 1223 CA TYR A 73 3.310 7.981 4.546 1.00 10.52 C ATOM 1224 C TYR A 73 4.761 8.507 4.407 1.00 35.11 C ATOM 1225 O TYR A 73 5.142 9.026 3.359 1.00 43.04 O ATOM 1226 CB TYR A 73 2.473 8.917 5.457 1.00 74.43 C ATOM 1227 CG TYR A 73 2.284 10.349 4.945 1.00 23.42 C ATOM 1228 CD1 TYR A 73 1.402 10.623 3.894 1.00 40.22 C ATOM 1229 CD2 TYR A 73 2.968 11.431 5.519 1.00 43.43 C ATOM 1230 CE1 TYR A 73 1.216 11.911 3.436 1.00 64.43 C ATOM 1231 CE2 TYR A 73 2.776 12.721 5.063 1.00 33.42 C ATOM 1232 CZ TYR A 73 1.902 12.957 4.022 1.00 23.05 C ATOM 1233 OH TYR A 73 1.698 14.244 3.577 1.00 4.12 O ATOM 0 H TYR A 73 2.764 6.561 5.993 1.00 4.52 H new ATOM 0 HA TYR A 73 2.881 7.958 3.544 1.00 10.52 H new ATOM 0 HB2 TYR A 73 1.490 8.469 5.600 1.00 74.43 H new ATOM 0 HB3 TYR A 73 2.949 8.961 6.437 1.00 74.43 H new ATOM 0 HD1 TYR A 73 0.857 9.812 3.433 1.00 40.22 H new ATOM 0 HD2 TYR A 73 3.657 11.252 6.332 1.00 43.43 H new ATOM 0 HE1 TYR A 73 0.535 12.101 2.620 1.00 64.43 H new ATOM 0 HE2 TYR A 73 3.308 13.542 5.520 1.00 33.42 H new ATOM 0 HH TYR A 73 0.933 14.636 4.048 1.00 4.12 H new ATOM 1243 N TYR A 74 5.565 8.323 5.469 1.00 75.51 N ATOM 1244 CA TYR A 74 6.961 8.822 5.529 1.00 61.34 C ATOM 1245 C TYR A 74 7.947 7.949 4.714 1.00 21.22 C ATOM 1246 O TYR A 74 9.016 8.428 4.321 1.00 42.55 O ATOM 1247 CB TYR A 74 7.421 8.942 7.004 1.00 33.03 C ATOM 1248 CG TYR A 74 6.662 10.020 7.801 1.00 23.31 C ATOM 1249 CD1 TYR A 74 6.727 11.364 7.429 1.00 51.03 C ATOM 1250 CD2 TYR A 74 5.907 9.703 8.929 1.00 14.54 C ATOM 1251 CE1 TYR A 74 6.064 12.343 8.145 1.00 25.11 C ATOM 1252 CE2 TYR A 74 5.239 10.676 9.644 1.00 12.44 C ATOM 1253 CZ TYR A 74 5.323 11.993 9.254 1.00 5.52 C ATOM 1254 OH TYR A 74 4.665 12.960 9.980 1.00 20.34 O ATOM 0 H TYR A 74 5.272 7.826 6.310 1.00 75.51 H new ATOM 0 HA TYR A 74 6.970 9.809 5.067 1.00 61.34 H new ATOM 0 HB2 TYR A 74 7.290 7.978 7.496 1.00 33.03 H new ATOM 0 HB3 TYR A 74 8.487 9.169 7.026 1.00 33.03 H new ATOM 0 HD1 TYR A 74 7.308 11.645 6.563 1.00 51.03 H new ATOM 0 HD2 TYR A 74 5.843 8.674 9.250 1.00 14.54 H new ATOM 0 HE1 TYR A 74 6.126 13.376 7.838 1.00 25.11 H new ATOM 0 HE2 TYR A 74 4.651 10.404 10.508 1.00 12.44 H new ATOM 0 HH TYR A 74 3.697 12.833 9.892 1.00 20.34 H new ATOM 1264 N TRP A 75 7.599 6.674 4.473 1.00 25.34 N ATOM 1265 CA TRP A 75 8.405 5.780 3.603 1.00 22.04 C ATOM 1266 C TRP A 75 8.162 6.100 2.110 1.00 40.31 C ATOM 1267 O TRP A 75 9.098 6.101 1.300 1.00 75.54 O ATOM 1268 CB TRP A 75 8.083 4.290 3.884 1.00 43.30 C ATOM 1269 CG TRP A 75 8.316 3.836 5.309 1.00 1.50 C ATOM 1270 CD1 TRP A 75 9.220 4.332 6.212 1.00 40.43 C ATOM 1271 CD2 TRP A 75 7.631 2.775 5.982 1.00 22.03 C ATOM 1272 NE1 TRP A 75 9.117 3.658 7.399 1.00 34.24 N ATOM 1273 CE2 TRP A 75 8.150 2.700 7.285 1.00 10.21 C ATOM 1274 CE3 TRP A 75 6.611 1.896 5.608 1.00 31.02 C ATOM 1275 CZ2 TRP A 75 7.697 1.772 8.212 1.00 42.03 C ATOM 1276 CZ3 TRP A 75 6.160 0.976 6.527 1.00 52.35 C ATOM 1277 CH2 TRP A 75 6.699 0.923 7.819 1.00 74.25 C ATOM 0 H TRP A 75 6.767 6.233 4.865 1.00 25.34 H new ATOM 0 HA TRP A 75 9.456 5.956 3.833 1.00 22.04 H new ATOM 0 HB2 TRP A 75 7.040 4.106 3.627 1.00 43.30 H new ATOM 0 HB3 TRP A 75 8.688 3.673 3.220 1.00 43.30 H new ATOM 0 HD1 TRP A 75 9.913 5.137 6.016 1.00 40.43 H new ATOM 0 HE1 TRP A 75 9.673 3.842 8.234 1.00 34.24 H new ATOM 0 HE3 TRP A 75 6.185 1.938 4.617 1.00 31.02 H new ATOM 0 HZ2 TRP A 75 8.116 1.722 9.206 1.00 42.03 H new ATOM 0 HZ3 TRP A 75 5.379 0.284 6.248 1.00 52.35 H new ATOM 0 HH2 TRP A 75 6.318 0.196 8.520 1.00 74.25 H new ATOM 1288 N ALA A 76 6.887 6.370 1.773 1.00 40.01 N ATOM 1289 CA ALA A 76 6.460 6.731 0.404 1.00 13.30 C ATOM 1290 C ALA A 76 7.031 8.103 -0.029 1.00 44.14 C ATOM 1291 O ALA A 76 7.619 8.237 -1.106 1.00 45.04 O ATOM 1292 CB ALA A 76 4.926 6.734 0.324 1.00 51.25 C ATOM 0 H ALA A 76 6.119 6.344 2.444 1.00 40.01 H new ATOM 0 HA ALA A 76 6.855 5.984 -0.285 1.00 13.30 H new ATOM 0 HB1 ALA A 76 4.615 7.000 -0.686 1.00 51.25 H new ATOM 0 HB2 ALA A 76 4.547 5.742 0.571 1.00 51.25 H new ATOM 0 HB3 ALA A 76 4.526 7.461 1.031 1.00 51.25 H new ATOM 1298 N THR A 77 6.864 9.120 0.845 1.00 30.44 N ATOM 1299 CA THR A 77 7.367 10.502 0.604 1.00 31.10 C ATOM 1300 C THR A 77 8.905 10.620 0.787 1.00 51.15 C ATOM 1301 O THR A 77 9.466 11.707 0.595 1.00 72.01 O ATOM 1302 CB THR A 77 6.663 11.544 1.542 1.00 53.02 C ATOM 1303 OG1 THR A 77 6.942 11.237 2.924 1.00 41.23 O ATOM 1304 CG2 THR A 77 5.137 11.586 1.312 1.00 11.22 C ATOM 0 H THR A 77 6.379 9.013 1.736 1.00 30.44 H new ATOM 0 HA THR A 77 7.125 10.724 -0.436 1.00 31.10 H new ATOM 0 HB THR A 77 7.064 12.528 1.298 1.00 53.02 H new ATOM 0 HG1 THR A 77 6.339 10.528 3.230 1.00 41.23 H new ATOM 0 HG21 THR A 77 4.688 12.320 1.981 1.00 11.22 H new ATOM 0 HG22 THR A 77 4.932 11.865 0.278 1.00 11.22 H new ATOM 0 HG23 THR A 77 4.711 10.603 1.514 1.00 11.22 H new ATOM 1312 N LYS A 78 9.554 9.495 1.178 1.00 23.33 N ATOM 1313 CA LYS A 78 11.024 9.377 1.341 1.00 30.50 C ATOM 1314 C LYS A 78 11.562 10.304 2.480 1.00 3.12 C ATOM 1315 O LYS A 78 12.707 10.778 2.453 1.00 13.42 O ATOM 1316 CB LYS A 78 11.756 9.619 -0.024 1.00 54.04 C ATOM 1317 CG LYS A 78 13.215 9.106 -0.065 1.00 60.12 C ATOM 1318 CD LYS A 78 13.954 9.470 -1.369 1.00 35.44 C ATOM 1319 CE LYS A 78 15.425 9.030 -1.342 1.00 42.12 C ATOM 1320 NZ LYS A 78 16.168 9.639 -0.205 1.00 13.12 N ATOM 0 H LYS A 78 9.061 8.628 1.393 1.00 23.33 H new ATOM 0 HA LYS A 78 11.246 8.356 1.653 1.00 30.50 H new ATOM 0 HB2 LYS A 78 11.190 9.132 -0.818 1.00 54.04 H new ATOM 0 HB3 LYS A 78 11.753 10.687 -0.240 1.00 54.04 H new ATOM 0 HG2 LYS A 78 13.762 9.520 0.782 1.00 60.12 H new ATOM 0 HG3 LYS A 78 13.215 8.023 0.054 1.00 60.12 H new ATOM 0 HD2 LYS A 78 13.451 8.999 -2.214 1.00 35.44 H new ATOM 0 HD3 LYS A 78 13.901 10.547 -1.526 1.00 35.44 H new ATOM 0 HE2 LYS A 78 15.477 7.944 -1.269 1.00 42.12 H new ATOM 0 HE3 LYS A 78 15.904 9.310 -2.280 1.00 42.12 H new ATOM 0 HZ1 LYS A 78 17.191 9.530 -0.360 1.00 13.12 H new ATOM 0 HZ2 LYS A 78 15.934 10.650 -0.139 1.00 13.12 H new ATOM 0 HZ3 LYS A 78 15.900 9.163 0.680 1.00 13.12 H new ATOM 1334 N ASN A 79 10.716 10.536 3.498 1.00 3.04 N ATOM 1335 CA ASN A 79 11.089 11.288 4.714 1.00 21.23 C ATOM 1336 C ASN A 79 12.136 10.496 5.547 1.00 24.04 C ATOM 1337 O ASN A 79 13.308 10.884 5.612 1.00 10.45 O ATOM 1338 CB ASN A 79 9.814 11.582 5.548 1.00 34.42 C ATOM 1339 CG ASN A 79 10.086 12.277 6.888 1.00 1.04 C ATOM 1340 OD1 ASN A 79 10.316 11.627 7.907 1.00 23.32 O ATOM 1341 ND2 ASN A 79 10.029 13.589 6.909 1.00 4.14 N ATOM 0 H ASN A 79 9.750 10.207 3.503 1.00 3.04 H new ATOM 0 HA ASN A 79 11.547 12.235 4.428 1.00 21.23 H new ATOM 0 HB2 ASN A 79 9.143 12.206 4.958 1.00 34.42 H new ATOM 0 HB3 ASN A 79 9.293 10.644 5.737 1.00 34.42 H new ATOM 0 HD21 ASN A 79 10.177 14.092 7.784 1.00 4.14 H new ATOM 0 HD22 ASN A 79 9.837 14.105 6.050 1.00 4.14 H new ATOM 1348 N PHE A 80 11.675 9.392 6.191 1.00 32.35 N ATOM 1349 CA PHE A 80 12.502 8.481 7.048 1.00 62.25 C ATOM 1350 C PHE A 80 13.028 9.120 8.376 1.00 12.43 C ATOM 1351 O PHE A 80 13.502 8.390 9.254 1.00 23.44 O ATOM 1352 CB PHE A 80 13.676 7.847 6.244 1.00 15.44 C ATOM 1353 CG PHE A 80 13.230 7.050 5.016 1.00 35.00 C ATOM 1354 CD1 PHE A 80 12.352 5.975 5.146 1.00 21.31 C ATOM 1355 CD2 PHE A 80 13.685 7.367 3.734 1.00 44.02 C ATOM 1356 CE1 PHE A 80 11.946 5.254 4.039 1.00 61.11 C ATOM 1357 CE2 PHE A 80 13.275 6.640 2.632 1.00 13.52 C ATOM 1358 CZ PHE A 80 12.406 5.584 2.784 1.00 41.52 C ATOM 0 H PHE A 80 10.700 9.099 6.132 1.00 32.35 H new ATOM 0 HA PHE A 80 11.809 7.697 7.356 1.00 62.25 H new ATOM 0 HB2 PHE A 80 14.353 8.639 5.924 1.00 15.44 H new ATOM 0 HB3 PHE A 80 14.242 7.191 6.904 1.00 15.44 H new ATOM 0 HD1 PHE A 80 11.984 5.702 6.124 1.00 21.31 H new ATOM 0 HD2 PHE A 80 14.368 8.193 3.602 1.00 44.02 H new ATOM 0 HE1 PHE A 80 11.263 4.426 4.159 1.00 61.11 H new ATOM 0 HE2 PHE A 80 13.638 6.902 1.649 1.00 13.52 H new ATOM 0 HZ PHE A 80 12.086 5.016 1.923 1.00 41.52 H new ATOM 1368 N LYS A 81 12.936 10.461 8.512 1.00 33.24 N ATOM 1369 CA LYS A 81 13.361 11.221 9.713 1.00 44.54 C ATOM 1370 C LYS A 81 12.584 10.767 10.972 1.00 54.51 C ATOM 1371 O LYS A 81 13.177 10.383 11.987 1.00 51.42 O ATOM 1372 CB LYS A 81 13.128 12.742 9.445 1.00 43.45 C ATOM 1373 CG LYS A 81 13.240 13.671 10.681 1.00 5.11 C ATOM 1374 CD LYS A 81 12.851 15.136 10.357 1.00 42.45 C ATOM 1375 CE LYS A 81 12.819 16.037 11.607 1.00 35.41 C ATOM 1376 NZ LYS A 81 14.137 16.121 12.287 1.00 41.13 N ATOM 0 H LYS A 81 12.557 11.059 7.777 1.00 33.24 H new ATOM 0 HA LYS A 81 14.418 11.032 9.902 1.00 44.54 H new ATOM 0 HB2 LYS A 81 13.849 13.074 8.698 1.00 43.45 H new ATOM 0 HB3 LYS A 81 12.137 12.867 9.009 1.00 43.45 H new ATOM 0 HG2 LYS A 81 12.595 13.294 11.475 1.00 5.11 H new ATOM 0 HG3 LYS A 81 14.262 13.645 11.060 1.00 5.11 H new ATOM 0 HD2 LYS A 81 13.561 15.545 9.638 1.00 42.45 H new ATOM 0 HD3 LYS A 81 11.871 15.150 9.880 1.00 42.45 H new ATOM 0 HE2 LYS A 81 12.498 17.038 11.320 1.00 35.41 H new ATOM 0 HE3 LYS A 81 12.077 15.653 12.307 1.00 35.41 H new ATOM 0 HZ1 LYS A 81 14.059 16.739 13.120 1.00 41.13 H new ATOM 0 HZ2 LYS A 81 14.434 15.171 12.587 1.00 41.13 H new ATOM 0 HZ3 LYS A 81 14.842 16.513 11.630 1.00 41.13 H new ATOM 1390 N THR A 82 11.251 10.811 10.870 1.00 12.01 N ATOM 1391 CA THR A 82 10.332 10.498 11.984 1.00 12.51 C ATOM 1392 C THR A 82 10.113 8.975 12.105 1.00 23.30 C ATOM 1393 O THR A 82 10.029 8.421 13.203 1.00 73.24 O ATOM 1394 CB THR A 82 8.945 11.181 11.746 1.00 10.54 C ATOM 1395 OG1 THR A 82 8.252 10.502 10.690 1.00 35.14 O ATOM 1396 CG2 THR A 82 9.085 12.656 11.345 1.00 22.02 C ATOM 0 H THR A 82 10.770 11.066 10.007 1.00 12.01 H new ATOM 0 HA THR A 82 10.783 10.873 12.902 1.00 12.51 H new ATOM 0 HB THR A 82 8.395 11.125 12.686 1.00 10.54 H new ATOM 0 HG1 THR A 82 7.322 10.810 10.658 1.00 35.14 H new ATOM 0 HG21 THR A 82 8.096 13.087 11.191 1.00 22.02 H new ATOM 0 HG22 THR A 82 9.599 13.201 12.137 1.00 22.02 H new ATOM 0 HG23 THR A 82 9.660 12.729 10.422 1.00 22.02 H new ATOM 1404 N SER A 83 10.023 8.327 10.934 1.00 30.44 N ATOM 1405 CA SER A 83 9.701 6.897 10.794 1.00 51.54 C ATOM 1406 C SER A 83 10.751 6.196 9.892 1.00 12.31 C ATOM 1407 O SER A 83 10.619 6.212 8.661 1.00 13.34 O ATOM 1408 CB SER A 83 8.266 6.755 10.218 1.00 14.31 C ATOM 1409 OG SER A 83 7.283 7.106 11.182 1.00 23.15 O ATOM 0 H SER A 83 10.175 8.791 10.039 1.00 30.44 H new ATOM 0 HA SER A 83 9.734 6.410 11.769 1.00 51.54 H new ATOM 0 HB2 SER A 83 8.160 7.392 9.340 1.00 14.31 H new ATOM 0 HB3 SER A 83 8.104 5.729 9.889 1.00 14.31 H new ATOM 0 HG SER A 83 6.441 7.319 10.728 1.00 23.15 H new ATOM 1415 N PRO A 84 11.854 5.622 10.496 1.00 10.42 N ATOM 1416 CA PRO A 84 12.909 4.880 9.741 1.00 52.34 C ATOM 1417 C PRO A 84 12.381 3.613 9.018 1.00 45.55 C ATOM 1418 O PRO A 84 11.309 3.090 9.345 1.00 51.40 O ATOM 1419 CB PRO A 84 13.963 4.520 10.834 1.00 31.24 C ATOM 1420 CG PRO A 84 13.686 5.482 11.952 1.00 20.35 C ATOM 1421 CD PRO A 84 12.185 5.683 11.944 1.00 54.34 C ATOM 0 HA PRO A 84 13.316 5.484 8.930 1.00 52.34 H new ATOM 0 HB2 PRO A 84 13.856 3.487 11.164 1.00 31.24 H new ATOM 0 HB3 PRO A 84 14.980 4.631 10.457 1.00 31.24 H new ATOM 0 HG2 PRO A 84 14.024 5.082 12.908 1.00 20.35 H new ATOM 0 HG3 PRO A 84 14.210 6.425 11.798 1.00 20.35 H new ATOM 0 HD2 PRO A 84 11.670 4.907 12.510 1.00 54.34 H new ATOM 0 HD3 PRO A 84 11.902 6.639 12.384 1.00 54.34 H new ATOM 1429 N LEU A 85 13.167 3.119 8.051 1.00 75.54 N ATOM 1430 CA LEU A 85 12.746 2.050 7.127 1.00 22.13 C ATOM 1431 C LEU A 85 13.132 0.632 7.645 1.00 10.22 C ATOM 1432 O LEU A 85 14.304 0.389 7.949 1.00 52.42 O ATOM 1433 CB LEU A 85 13.389 2.308 5.742 1.00 21.41 C ATOM 1434 CG LEU A 85 12.860 1.421 4.576 1.00 73.14 C ATOM 1435 CD1 LEU A 85 11.332 1.603 4.393 1.00 35.42 C ATOM 1436 CD2 LEU A 85 13.630 1.711 3.270 1.00 13.25 C ATOM 0 H LEU A 85 14.118 3.450 7.885 1.00 75.54 H new ATOM 0 HA LEU A 85 11.659 2.071 7.053 1.00 22.13 H new ATOM 0 HB2 LEU A 85 13.232 3.354 5.478 1.00 21.41 H new ATOM 0 HB3 LEU A 85 14.465 2.159 5.828 1.00 21.41 H new ATOM 0 HG LEU A 85 13.036 0.377 4.833 1.00 73.14 H new ATOM 0 HD11 LEU A 85 10.986 0.973 3.573 1.00 35.42 H new ATOM 0 HD12 LEU A 85 10.819 1.317 5.311 1.00 35.42 H new ATOM 0 HD13 LEU A 85 11.115 2.647 4.166 1.00 35.42 H new ATOM 0 HD21 LEU A 85 13.242 1.079 2.471 1.00 13.25 H new ATOM 0 HD22 LEU A 85 13.503 2.759 2.998 1.00 13.25 H new ATOM 0 HD23 LEU A 85 14.689 1.500 3.418 1.00 13.25 H new ATOM 1448 N PRO A 86 12.144 -0.321 7.760 1.00 42.43 N ATOM 1449 CA PRO A 86 12.421 -1.765 8.020 1.00 44.34 C ATOM 1450 C PRO A 86 13.137 -2.468 6.830 1.00 31.12 C ATOM 1451 O PRO A 86 12.951 -2.079 5.667 1.00 72.12 O ATOM 1452 CB PRO A 86 11.001 -2.376 8.258 1.00 55.30 C ATOM 1453 CG PRO A 86 10.120 -1.195 8.545 1.00 55.43 C ATOM 1454 CD PRO A 86 10.685 -0.075 7.703 1.00 11.22 C ATOM 0 HA PRO A 86 13.100 -1.899 8.862 1.00 44.34 H new ATOM 0 HB2 PRO A 86 10.654 -2.925 7.382 1.00 55.30 H new ATOM 0 HB3 PRO A 86 11.007 -3.078 9.092 1.00 55.30 H new ATOM 0 HG2 PRO A 86 9.083 -1.403 8.282 1.00 55.43 H new ATOM 0 HG3 PRO A 86 10.135 -0.939 9.604 1.00 55.43 H new ATOM 0 HD2 PRO A 86 10.309 -0.109 6.680 1.00 11.22 H new ATOM 0 HD3 PRO A 86 10.424 0.904 8.106 1.00 11.22 H new ATOM 1462 N ASP A 87 13.924 -3.522 7.142 1.00 61.44 N ATOM 1463 CA ASP A 87 14.722 -4.285 6.141 1.00 3.41 C ATOM 1464 C ASP A 87 13.840 -4.964 5.062 1.00 41.44 C ATOM 1465 O ASP A 87 14.206 -4.980 3.876 1.00 25.11 O ATOM 1466 CB ASP A 87 15.602 -5.343 6.855 1.00 54.34 C ATOM 1467 CG ASP A 87 16.669 -4.702 7.756 1.00 30.22 C ATOM 1468 OD1 ASP A 87 17.739 -4.315 7.244 1.00 31.33 O ATOM 1469 OD2 ASP A 87 16.437 -4.560 8.973 1.00 35.31 O ATOM 0 H ASP A 87 14.028 -3.872 8.094 1.00 61.44 H new ATOM 0 HA ASP A 87 15.357 -3.565 5.625 1.00 3.41 H new ATOM 0 HB2 ASP A 87 14.967 -5.995 7.455 1.00 54.34 H new ATOM 0 HB3 ASP A 87 16.089 -5.971 6.109 1.00 54.34 H new ATOM 1474 N LYS A 88 12.667 -5.505 5.477 1.00 64.12 N ATOM 1475 CA LYS A 88 11.723 -6.185 4.551 1.00 24.34 C ATOM 1476 C LYS A 88 11.021 -5.202 3.576 1.00 42.42 C ATOM 1477 O LYS A 88 10.331 -5.635 2.650 1.00 23.35 O ATOM 1478 CB LYS A 88 10.701 -7.071 5.347 1.00 23.11 C ATOM 1479 CG LYS A 88 9.656 -6.349 6.261 1.00 45.52 C ATOM 1480 CD LYS A 88 8.314 -6.026 5.541 1.00 53.40 C ATOM 1481 CE LYS A 88 7.172 -5.681 6.517 1.00 72.01 C ATOM 1482 NZ LYS A 88 7.471 -4.491 7.356 1.00 63.42 N ATOM 0 H LYS A 88 12.351 -5.484 6.447 1.00 64.12 H new ATOM 0 HA LYS A 88 12.313 -6.848 3.919 1.00 24.34 H new ATOM 0 HB2 LYS A 88 10.152 -7.676 4.626 1.00 23.11 H new ATOM 0 HB3 LYS A 88 11.271 -7.759 5.971 1.00 23.11 H new ATOM 0 HG2 LYS A 88 9.451 -6.976 7.129 1.00 45.52 H new ATOM 0 HG3 LYS A 88 10.091 -5.421 6.633 1.00 45.52 H new ATOM 0 HD2 LYS A 88 8.467 -5.189 4.859 1.00 53.40 H new ATOM 0 HD3 LYS A 88 8.019 -6.882 4.934 1.00 53.40 H new ATOM 0 HE2 LYS A 88 6.258 -5.500 5.951 1.00 72.01 H new ATOM 0 HE3 LYS A 88 6.982 -6.537 7.164 1.00 72.01 H new ATOM 0 HZ1 LYS A 88 6.794 -4.443 8.144 1.00 63.42 H new ATOM 0 HZ2 LYS A 88 8.437 -4.566 7.734 1.00 63.42 H new ATOM 0 HZ3 LYS A 88 7.392 -3.630 6.778 1.00 63.42 H new ATOM 1496 N TRP A 89 11.187 -3.881 3.795 1.00 52.41 N ATOM 1497 CA TRP A 89 10.740 -2.847 2.830 1.00 34.14 C ATOM 1498 C TRP A 89 11.905 -2.303 1.984 1.00 72.03 C ATOM 1499 O TRP A 89 11.699 -1.962 0.815 1.00 40.43 O ATOM 1500 CB TRP A 89 10.009 -1.680 3.536 1.00 2.44 C ATOM 1501 CG TRP A 89 8.649 -2.037 4.087 1.00 14.33 C ATOM 1502 CD1 TRP A 89 8.179 -1.770 5.337 1.00 54.43 C ATOM 1503 CD2 TRP A 89 7.581 -2.727 3.401 1.00 62.54 C ATOM 1504 NE1 TRP A 89 6.905 -2.241 5.472 1.00 65.24 N ATOM 1505 CE2 TRP A 89 6.518 -2.837 4.302 1.00 53.14 C ATOM 1506 CE3 TRP A 89 7.425 -3.264 2.111 1.00 30.32 C ATOM 1507 CZ2 TRP A 89 5.320 -3.461 3.967 1.00 2.14 C ATOM 1508 CZ3 TRP A 89 6.239 -3.880 1.778 1.00 64.54 C ATOM 1509 CH2 TRP A 89 5.200 -3.977 2.704 1.00 73.23 C ATOM 0 H TRP A 89 11.628 -3.502 4.633 1.00 52.41 H new ATOM 0 HA TRP A 89 10.036 -3.340 2.160 1.00 34.14 H new ATOM 0 HB2 TRP A 89 10.634 -1.317 4.352 1.00 2.44 H new ATOM 0 HB3 TRP A 89 9.897 -0.857 2.830 1.00 2.44 H new ATOM 0 HD1 TRP A 89 8.734 -1.259 6.110 1.00 54.43 H new ATOM 0 HE1 TRP A 89 6.332 -2.161 6.312 1.00 65.24 H new ATOM 0 HE3 TRP A 89 8.226 -3.194 1.390 1.00 30.32 H new ATOM 0 HZ2 TRP A 89 4.512 -3.536 4.679 1.00 2.14 H new ATOM 0 HZ3 TRP A 89 6.112 -4.293 0.788 1.00 64.54 H new ATOM 0 HH2 TRP A 89 4.282 -4.469 2.419 1.00 73.23 H new ATOM 1520 N ALA A 90 13.116 -2.225 2.574 1.00 32.21 N ATOM 1521 CA ALA A 90 14.331 -1.706 1.883 1.00 52.00 C ATOM 1522 C ALA A 90 14.603 -2.424 0.540 1.00 73.41 C ATOM 1523 O ALA A 90 14.952 -1.794 -0.463 1.00 33.40 O ATOM 1524 CB ALA A 90 15.558 -1.832 2.799 1.00 21.42 C ATOM 0 H ALA A 90 13.286 -2.516 3.537 1.00 32.21 H new ATOM 0 HA ALA A 90 14.144 -0.656 1.658 1.00 52.00 H new ATOM 0 HB1 ALA A 90 16.438 -1.450 2.283 1.00 21.42 H new ATOM 0 HB2 ALA A 90 15.393 -1.256 3.710 1.00 21.42 H new ATOM 0 HB3 ALA A 90 15.714 -2.880 3.056 1.00 21.42 H new ATOM 1530 N ASN A 91 14.426 -3.757 0.541 1.00 23.31 N ATOM 1531 CA ASN A 91 14.647 -4.612 -0.648 1.00 45.22 C ATOM 1532 C ASN A 91 13.304 -5.105 -1.268 1.00 51.34 C ATOM 1533 O ASN A 91 13.285 -6.056 -2.056 1.00 72.43 O ATOM 1534 CB ASN A 91 15.562 -5.800 -0.251 1.00 63.12 C ATOM 1535 CG ASN A 91 16.883 -5.320 0.366 1.00 61.23 C ATOM 1536 OD1 ASN A 91 17.020 -5.224 1.581 1.00 63.04 O ATOM 1537 ND2 ASN A 91 17.834 -4.956 -0.466 1.00 23.11 N ATOM 0 H ASN A 91 14.125 -4.277 1.366 1.00 23.31 H new ATOM 0 HA ASN A 91 15.139 -4.022 -1.421 1.00 45.22 H new ATOM 0 HB2 ASN A 91 15.040 -6.439 0.461 1.00 63.12 H new ATOM 0 HB3 ASN A 91 15.771 -6.408 -1.131 1.00 63.12 H new ATOM 0 HD21 ASN A 91 18.712 -4.583 -0.105 1.00 23.11 H new ATOM 0 HD22 ASN A 91 17.694 -5.047 -1.472 1.00 23.11 H new ATOM 1544 N SER A 92 12.192 -4.425 -0.924 1.00 41.00 N ATOM 1545 CA SER A 92 10.845 -4.719 -1.486 1.00 54.02 C ATOM 1546 C SER A 92 10.560 -3.838 -2.716 1.00 31.31 C ATOM 1547 O SER A 92 10.783 -2.619 -2.680 1.00 23.35 O ATOM 1548 CB SER A 92 9.739 -4.474 -0.433 1.00 53.25 C ATOM 1549 OG SER A 92 8.435 -4.690 -0.965 1.00 13.11 O ATOM 0 H SER A 92 12.195 -3.658 -0.252 1.00 41.00 H new ATOM 0 HA SER A 92 10.840 -5.769 -1.779 1.00 54.02 H new ATOM 0 HB2 SER A 92 9.897 -5.136 0.419 1.00 53.25 H new ATOM 0 HB3 SER A 92 9.813 -3.452 -0.061 1.00 53.25 H new ATOM 0 HG SER A 92 8.110 -5.572 -0.686 1.00 13.11 H new ATOM 1555 N LYS A 93 10.049 -4.460 -3.794 1.00 51.10 N ATOM 1556 CA LYS A 93 9.617 -3.732 -5.003 1.00 61.24 C ATOM 1557 C LYS A 93 8.342 -2.903 -4.720 1.00 21.11 C ATOM 1558 O LYS A 93 8.207 -1.798 -5.231 1.00 64.24 O ATOM 1559 CB LYS A 93 9.363 -4.705 -6.181 1.00 24.30 C ATOM 1560 CG LYS A 93 8.983 -4.004 -7.513 1.00 42.14 C ATOM 1561 CD LYS A 93 8.653 -4.984 -8.656 1.00 25.10 C ATOM 1562 CE LYS A 93 7.427 -5.866 -8.352 1.00 61.04 C ATOM 1563 NZ LYS A 93 7.109 -6.765 -9.484 1.00 3.11 N ATOM 0 H LYS A 93 9.924 -5.471 -3.853 1.00 51.10 H new ATOM 0 HA LYS A 93 10.423 -3.054 -5.283 1.00 61.24 H new ATOM 0 HB2 LYS A 93 10.259 -5.305 -6.342 1.00 24.30 H new ATOM 0 HB3 LYS A 93 8.564 -5.393 -5.904 1.00 24.30 H new ATOM 0 HG2 LYS A 93 8.122 -3.358 -7.341 1.00 42.14 H new ATOM 0 HG3 LYS A 93 9.807 -3.362 -7.823 1.00 42.14 H new ATOM 0 HD2 LYS A 93 8.471 -4.420 -9.571 1.00 25.10 H new ATOM 0 HD3 LYS A 93 9.517 -5.622 -8.842 1.00 25.10 H new ATOM 0 HE2 LYS A 93 7.618 -6.459 -7.458 1.00 61.04 H new ATOM 0 HE3 LYS A 93 6.567 -5.232 -8.137 1.00 61.04 H new ATOM 0 HZ1 LYS A 93 6.146 -7.140 -9.369 1.00 3.11 H new ATOM 0 HZ2 LYS A 93 7.170 -6.234 -10.376 1.00 3.11 H new ATOM 0 HZ3 LYS A 93 7.788 -7.553 -9.503 1.00 3.11 H new ATOM 1577 N LEU A 94 7.422 -3.453 -3.885 1.00 64.22 N ATOM 1578 CA LEU A 94 6.136 -2.794 -3.522 1.00 30.02 C ATOM 1579 C LEU A 94 6.358 -1.378 -2.946 1.00 3.11 C ATOM 1580 O LEU A 94 5.653 -0.429 -3.315 1.00 21.53 O ATOM 1581 CB LEU A 94 5.360 -3.639 -2.478 1.00 60.22 C ATOM 1582 CG LEU A 94 3.973 -3.051 -2.029 1.00 24.25 C ATOM 1583 CD1 LEU A 94 2.923 -3.126 -3.160 1.00 61.20 C ATOM 1584 CD2 LEU A 94 3.466 -3.711 -0.734 1.00 31.14 C ATOM 0 H LEU A 94 7.549 -4.364 -3.444 1.00 64.22 H new ATOM 0 HA LEU A 94 5.556 -2.713 -4.441 1.00 30.02 H new ATOM 0 HB2 LEU A 94 5.197 -4.634 -2.891 1.00 60.22 H new ATOM 0 HB3 LEU A 94 5.987 -3.759 -1.595 1.00 60.22 H new ATOM 0 HG LEU A 94 4.130 -1.995 -1.810 1.00 24.25 H new ATOM 0 HD11 LEU A 94 1.979 -2.710 -2.808 1.00 61.20 H new ATOM 0 HD12 LEU A 94 3.273 -2.555 -4.020 1.00 61.20 H new ATOM 0 HD13 LEU A 94 2.775 -4.166 -3.451 1.00 61.20 H new ATOM 0 HD21 LEU A 94 2.505 -3.277 -0.457 1.00 31.14 H new ATOM 0 HD22 LEU A 94 3.348 -4.783 -0.894 1.00 31.14 H new ATOM 0 HD23 LEU A 94 4.185 -3.541 0.067 1.00 31.14 H new ATOM 1596 N LEU A 95 7.342 -1.263 -2.032 1.00 63.34 N ATOM 1597 CA LEU A 95 7.737 0.030 -1.438 1.00 53.32 C ATOM 1598 C LEU A 95 8.227 1.020 -2.523 1.00 50.32 C ATOM 1599 O LEU A 95 7.867 2.197 -2.506 1.00 50.04 O ATOM 1600 CB LEU A 95 8.850 -0.158 -0.380 1.00 32.30 C ATOM 1601 CG LEU A 95 9.318 1.175 0.300 1.00 61.13 C ATOM 1602 CD1 LEU A 95 8.267 1.700 1.302 1.00 42.42 C ATOM 1603 CD2 LEU A 95 10.712 1.040 0.934 1.00 72.31 C ATOM 0 H LEU A 95 7.882 -2.057 -1.687 1.00 63.34 H new ATOM 0 HA LEU A 95 6.851 0.442 -0.955 1.00 53.32 H new ATOM 0 HB2 LEU A 95 8.492 -0.840 0.391 1.00 32.30 H new ATOM 0 HB3 LEU A 95 9.709 -0.633 -0.853 1.00 32.30 H new ATOM 0 HG LEU A 95 9.409 1.924 -0.486 1.00 61.13 H new ATOM 0 HD11 LEU A 95 8.625 2.625 1.754 1.00 42.42 H new ATOM 0 HD12 LEU A 95 7.330 1.891 0.779 1.00 42.42 H new ATOM 0 HD13 LEU A 95 8.103 0.955 2.081 1.00 42.42 H new ATOM 0 HD21 LEU A 95 10.996 1.987 1.393 1.00 72.31 H new ATOM 0 HD22 LEU A 95 10.692 0.259 1.694 1.00 72.31 H new ATOM 0 HD23 LEU A 95 11.438 0.778 0.164 1.00 72.31 H new ATOM 1615 N LYS A 96 9.056 0.514 -3.457 1.00 31.31 N ATOM 1616 CA LYS A 96 9.611 1.321 -4.572 1.00 73.41 C ATOM 1617 C LYS A 96 8.504 1.795 -5.540 1.00 60.24 C ATOM 1618 O LYS A 96 8.594 2.888 -6.095 1.00 24.23 O ATOM 1619 CB LYS A 96 10.689 0.515 -5.343 1.00 25.44 C ATOM 1620 CG LYS A 96 11.912 0.126 -4.484 1.00 1.52 C ATOM 1621 CD LYS A 96 13.045 -0.521 -5.317 1.00 64.51 C ATOM 1622 CE LYS A 96 14.312 -0.782 -4.481 1.00 64.30 C ATOM 1623 NZ LYS A 96 15.452 -1.211 -5.325 1.00 33.22 N ATOM 0 H LYS A 96 9.361 -0.459 -3.464 1.00 31.31 H new ATOM 0 HA LYS A 96 10.074 2.206 -4.136 1.00 73.41 H new ATOM 0 HB2 LYS A 96 10.234 -0.392 -5.742 1.00 25.44 H new ATOM 0 HB3 LYS A 96 11.028 1.103 -6.195 1.00 25.44 H new ATOM 0 HG2 LYS A 96 12.297 1.014 -3.983 1.00 1.52 H new ATOM 0 HG3 LYS A 96 11.598 -0.568 -3.705 1.00 1.52 H new ATOM 0 HD2 LYS A 96 12.691 -1.462 -5.738 1.00 64.51 H new ATOM 0 HD3 LYS A 96 13.294 0.130 -6.155 1.00 64.51 H new ATOM 0 HE2 LYS A 96 14.582 0.124 -3.939 1.00 64.30 H new ATOM 0 HE3 LYS A 96 14.103 -1.549 -3.735 1.00 64.30 H new ATOM 0 HZ1 LYS A 96 16.285 -1.377 -4.725 1.00 33.22 H new ATOM 0 HZ2 LYS A 96 15.204 -2.090 -5.823 1.00 33.22 H new ATOM 0 HZ3 LYS A 96 15.668 -0.468 -6.020 1.00 33.22 H new ATOM 1637 N GLN A 97 7.460 0.960 -5.716 1.00 3.12 N ATOM 1638 CA GLN A 97 6.269 1.298 -6.531 1.00 14.45 C ATOM 1639 C GLN A 97 5.393 2.348 -5.817 1.00 64.11 C ATOM 1640 O GLN A 97 4.759 3.186 -6.463 1.00 30.23 O ATOM 1641 CB GLN A 97 5.430 0.021 -6.832 1.00 72.25 C ATOM 1642 CG GLN A 97 6.166 -1.105 -7.602 1.00 61.32 C ATOM 1643 CD GLN A 97 6.579 -0.764 -9.047 1.00 22.30 C ATOM 1644 OE1 GLN A 97 6.888 0.375 -9.389 1.00 63.25 O ATOM 1645 NE2 GLN A 97 6.592 -1.757 -9.914 1.00 14.15 N ATOM 0 H GLN A 97 7.416 0.031 -5.298 1.00 3.12 H new ATOM 0 HA GLN A 97 6.618 1.721 -7.473 1.00 14.45 H new ATOM 0 HB2 GLN A 97 5.071 -0.386 -5.887 1.00 72.25 H new ATOM 0 HB3 GLN A 97 4.551 0.314 -7.407 1.00 72.25 H new ATOM 0 HG2 GLN A 97 7.061 -1.378 -7.042 1.00 61.32 H new ATOM 0 HG3 GLN A 97 5.523 -1.985 -7.625 1.00 61.32 H new ATOM 0 HE21 GLN A 97 6.333 -2.698 -9.616 1.00 14.15 H new ATOM 0 HE22 GLN A 97 6.861 -1.585 -10.883 1.00 14.15 H new ATOM 1654 N LEU A 98 5.349 2.266 -4.474 1.00 74.45 N ATOM 1655 CA LEU A 98 4.628 3.232 -3.618 1.00 72.33 C ATOM 1656 C LEU A 98 5.346 4.605 -3.621 1.00 3.23 C ATOM 1657 O LEU A 98 4.703 5.651 -3.544 1.00 32.54 O ATOM 1658 CB LEU A 98 4.513 2.666 -2.173 1.00 62.45 C ATOM 1659 CG LEU A 98 3.662 3.504 -1.164 1.00 74.11 C ATOM 1660 CD1 LEU A 98 2.183 3.599 -1.612 1.00 23.32 C ATOM 1661 CD2 LEU A 98 3.793 2.944 0.274 1.00 25.55 C ATOM 0 H LEU A 98 5.814 1.526 -3.948 1.00 74.45 H new ATOM 0 HA LEU A 98 3.624 3.382 -4.016 1.00 72.33 H new ATOM 0 HB2 LEU A 98 4.086 1.665 -2.231 1.00 62.45 H new ATOM 0 HB3 LEU A 98 5.519 2.560 -1.766 1.00 62.45 H new ATOM 0 HG LEU A 98 4.058 4.519 -1.156 1.00 74.11 H new ATOM 0 HD11 LEU A 98 1.621 4.188 -0.888 1.00 23.32 H new ATOM 0 HD12 LEU A 98 2.129 4.078 -2.590 1.00 23.32 H new ATOM 0 HD13 LEU A 98 1.757 2.598 -1.674 1.00 23.32 H new ATOM 0 HD21 LEU A 98 3.191 3.546 0.955 1.00 25.55 H new ATOM 0 HD22 LEU A 98 3.443 1.912 0.296 1.00 25.55 H new ATOM 0 HD23 LEU A 98 4.837 2.980 0.585 1.00 25.55 H new ATOM 1673 N GLN A 99 6.691 4.568 -3.710 1.00 5.43 N ATOM 1674 CA GLN A 99 7.543 5.769 -3.876 1.00 25.41 C ATOM 1675 C GLN A 99 7.358 6.396 -5.280 1.00 72.50 C ATOM 1676 O GLN A 99 7.307 7.626 -5.409 1.00 24.42 O ATOM 1677 CB GLN A 99 9.031 5.406 -3.600 1.00 1.44 C ATOM 1678 CG GLN A 99 9.349 5.153 -2.107 1.00 50.33 C ATOM 1679 CD GLN A 99 10.784 4.678 -1.831 1.00 41.11 C ATOM 1680 OE1 GLN A 99 11.708 4.953 -2.583 1.00 23.21 O ATOM 1681 NE2 GLN A 99 10.991 4.001 -0.718 1.00 2.41 N ATOM 0 H GLN A 99 7.223 3.699 -3.669 1.00 5.43 H new ATOM 0 HA GLN A 99 7.235 6.521 -3.150 1.00 25.41 H new ATOM 0 HB2 GLN A 99 9.289 4.515 -4.172 1.00 1.44 H new ATOM 0 HB3 GLN A 99 9.665 6.214 -3.964 1.00 1.44 H new ATOM 0 HG2 GLN A 99 9.171 6.073 -1.550 1.00 50.33 H new ATOM 0 HG3 GLN A 99 8.653 4.408 -1.722 1.00 50.33 H new ATOM 0 HE21 GLN A 99 10.208 3.780 -0.102 1.00 2.41 H new ATOM 0 HE22 GLN A 99 11.934 3.698 -0.473 1.00 2.41 H new ATOM 1690 N GLU A 100 7.246 5.535 -6.319 1.00 44.33 N ATOM 1691 CA GLU A 100 6.906 5.961 -7.705 1.00 23.11 C ATOM 1692 C GLU A 100 5.556 6.707 -7.739 1.00 53.41 C ATOM 1693 O GLU A 100 5.469 7.820 -8.248 1.00 1.42 O ATOM 1694 CB GLU A 100 6.841 4.738 -8.671 1.00 62.34 C ATOM 1695 CG GLU A 100 8.203 4.129 -9.055 1.00 73.21 C ATOM 1696 CD GLU A 100 9.047 5.057 -9.951 1.00 30.24 C ATOM 1697 OE1 GLU A 100 8.714 5.200 -11.145 1.00 43.24 O ATOM 1698 OE2 GLU A 100 10.030 5.654 -9.472 1.00 3.02 O ATOM 0 H GLU A 100 7.387 4.529 -6.225 1.00 44.33 H new ATOM 0 HA GLU A 100 7.696 6.634 -8.037 1.00 23.11 H new ATOM 0 HB2 GLU A 100 6.232 3.962 -8.207 1.00 62.34 H new ATOM 0 HB3 GLU A 100 6.328 5.043 -9.583 1.00 62.34 H new ATOM 0 HG2 GLU A 100 8.762 3.902 -8.147 1.00 73.21 H new ATOM 0 HG3 GLU A 100 8.039 3.184 -9.573 1.00 73.21 H new ATOM 1705 N PHE A 101 4.519 6.073 -7.167 1.00 72.00 N ATOM 1706 CA PHE A 101 3.151 6.619 -7.153 1.00 23.32 C ATOM 1707 C PHE A 101 3.065 7.930 -6.335 1.00 31.15 C ATOM 1708 O PHE A 101 2.490 8.908 -6.800 1.00 73.21 O ATOM 1709 CB PHE A 101 2.150 5.573 -6.596 1.00 23.33 C ATOM 1710 CG PHE A 101 0.690 6.044 -6.628 1.00 3.12 C ATOM 1711 CD1 PHE A 101 -0.022 6.066 -7.831 1.00 11.33 C ATOM 1712 CD2 PHE A 101 0.042 6.504 -5.472 1.00 55.44 C ATOM 1713 CE1 PHE A 101 -1.326 6.528 -7.877 1.00 32.31 C ATOM 1714 CE2 PHE A 101 -1.259 6.973 -5.526 1.00 41.30 C ATOM 1715 CZ PHE A 101 -1.941 6.983 -6.727 1.00 54.03 C ATOM 0 H PHE A 101 4.605 5.169 -6.702 1.00 72.00 H new ATOM 0 HA PHE A 101 2.884 6.851 -8.184 1.00 23.32 H new ATOM 0 HB2 PHE A 101 2.239 4.653 -7.174 1.00 23.33 H new ATOM 0 HB3 PHE A 101 2.423 5.332 -5.569 1.00 23.33 H new ATOM 0 HD1 PHE A 101 0.452 5.718 -8.737 1.00 11.33 H new ATOM 0 HD2 PHE A 101 0.565 6.492 -4.527 1.00 55.44 H new ATOM 0 HE1 PHE A 101 -1.863 6.533 -8.814 1.00 32.31 H new ATOM 0 HE2 PHE A 101 -1.741 7.331 -4.629 1.00 41.30 H new ATOM 0 HZ PHE A 101 -2.957 7.347 -6.767 1.00 54.03 H new ATOM 1725 N SER A 102 3.656 7.927 -5.125 1.00 4.13 N ATOM 1726 CA SER A 102 3.549 9.055 -4.158 1.00 74.23 C ATOM 1727 C SER A 102 4.098 10.382 -4.722 1.00 70.21 C ATOM 1728 O SER A 102 3.535 11.444 -4.447 1.00 14.04 O ATOM 1729 CB SER A 102 4.280 8.721 -2.847 1.00 41.42 C ATOM 1730 OG SER A 102 5.651 8.484 -3.080 1.00 11.11 O ATOM 0 H SER A 102 4.221 7.149 -4.784 1.00 4.13 H new ATOM 0 HA SER A 102 2.484 9.190 -3.967 1.00 74.23 H new ATOM 0 HB2 SER A 102 4.164 9.544 -2.142 1.00 41.42 H new ATOM 0 HB3 SER A 102 3.828 7.842 -2.388 1.00 41.42 H new ATOM 0 HG SER A 102 6.143 8.552 -2.235 1.00 11.11 H new ATOM 1736 N GLU A 103 5.210 10.318 -5.486 1.00 53.23 N ATOM 1737 CA GLU A 103 5.775 11.510 -6.167 1.00 75.32 C ATOM 1738 C GLU A 103 5.012 11.829 -7.483 1.00 15.53 C ATOM 1739 O GLU A 103 4.881 12.995 -7.860 1.00 62.42 O ATOM 1740 CB GLU A 103 7.291 11.327 -6.452 1.00 53.52 C ATOM 1741 CG GLU A 103 7.647 10.180 -7.418 1.00 73.33 C ATOM 1742 CD GLU A 103 9.137 10.146 -7.787 1.00 50.24 C ATOM 1743 OE1 GLU A 103 9.526 10.792 -8.782 1.00 12.44 O ATOM 1744 OE2 GLU A 103 9.928 9.495 -7.077 1.00 23.40 O ATOM 0 H GLU A 103 5.735 9.458 -5.648 1.00 53.23 H new ATOM 0 HA GLU A 103 5.651 12.356 -5.491 1.00 75.32 H new ATOM 0 HB2 GLU A 103 7.682 12.259 -6.861 1.00 53.52 H new ATOM 0 HB3 GLU A 103 7.803 11.155 -5.505 1.00 53.52 H new ATOM 0 HG2 GLU A 103 7.370 9.229 -6.962 1.00 73.33 H new ATOM 0 HG3 GLU A 103 7.055 10.282 -8.328 1.00 73.33 H new ATOM 1751 N ASN A 104 4.502 10.778 -8.167 1.00 32.12 N ATOM 1752 CA ASN A 104 3.803 10.902 -9.480 1.00 13.32 C ATOM 1753 C ASN A 104 2.259 10.848 -9.323 1.00 34.45 C ATOM 1754 O ASN A 104 1.544 10.403 -10.233 1.00 74.24 O ATOM 1755 CB ASN A 104 4.300 9.775 -10.438 1.00 10.31 C ATOM 1756 CG ASN A 104 5.800 9.862 -10.763 1.00 63.15 C ATOM 1757 OD1 ASN A 104 6.361 10.945 -10.889 1.00 14.44 O ATOM 1758 ND2 ASN A 104 6.468 8.727 -10.866 1.00 70.21 N ATOM 0 H ASN A 104 4.561 9.817 -7.829 1.00 32.12 H new ATOM 0 HA ASN A 104 4.044 11.876 -9.905 1.00 13.32 H new ATOM 0 HB2 ASN A 104 4.090 8.806 -9.985 1.00 10.31 H new ATOM 0 HB3 ASN A 104 3.732 9.822 -11.367 1.00 10.31 H new ATOM 0 HD21 ASN A 104 7.470 8.740 -11.054 1.00 70.21 H new ATOM 0 HD22 ASN A 104 5.981 7.837 -10.758 1.00 70.21 H new