USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 769 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 120 MET CE :methyl -138:sc= -3.11 (180deg=-0.338) USER MOD Set 1.2: A 125 GLN : amide:sc= -4.33! C(o=-7.4!,f=-11!) USER MOD Set 2.1: A 86 HIS : no HD1:sc= -4.02 X(o=-13,f=-13!) USER MOD Set 2.2: A 110 MET CE :methyl -178:sc= -8.9! (180deg=-8.93!) USER MOD Set 3.1: A 70 THR OG1 : rot -64:sc= 0.624 USER MOD Set 3.2: A 109 THR OG1 : rot 50:sc= -0.4 USER MOD Set 4.1: A 88 ASN : amide:sc= -2.49 K(o=-1.7,f=-3.2!) USER MOD Set 4.2: A 108 SER OG : rot 17:sc= 0.767 USER MOD Set 5.1: A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 106:sc= -2.63! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 109:sc= -4.22! USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0662 USER MOD Single : A 36 ASN : amide:sc= -1.02 K(o=-1,f=-5.1!) USER MOD Single : A 37 ASN : amide:sc= -0.032 X(o=-0.032,f=0) USER MOD Single : A 57 GLN : amide:sc= -1.01 X(o=-1,f=-1.2) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -103:sc= -2.06 USER MOD Single : A 62 MET CE :methyl -175:sc= -3.03 (180deg=-3.08) USER MOD Single : A 65 THR OG1 : rot 64:sc= 0.0953 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -152:sc= 0.0905 (180deg=-0.211!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 101:sc= 1.26 USER MOD Single : A 111 SER OG : rot 137:sc= 0.31 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.00122 USER MOD Single : A 123 GLN : amide:sc= -2.47 K(o=-2.5,f=-3.4!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -0.294 K(o=-0.29,f=-0.93) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 73:sc= -0.274 USER MOD ----------------------------------------------------------------- ATOM 318 N ASP A 21 -5.187 -13.120 -8.395 1.00 0.00 N ATOM 319 CA ASP A 21 -4.952 -14.235 -7.480 1.00 0.00 C ATOM 320 C ASP A 21 -3.977 -13.837 -6.375 1.00 0.00 C ATOM 321 O ASP A 21 -2.824 -13.507 -6.641 1.00 0.00 O ATOM 322 CB ASP A 21 -4.410 -15.444 -8.244 1.00 0.00 C ATOM 323 CG ASP A 21 -4.932 -16.756 -7.692 1.00 0.00 C ATOM 324 OD1 ASP A 21 -4.420 -17.207 -6.647 1.00 0.00 O ATOM 325 OD2 ASP A 21 -5.854 -17.333 -8.307 1.00 0.00 O ATOM 0 HA ASP A 21 -5.904 -14.502 -7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.685 -15.360 -9.295 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.321 -15.441 -8.199 1.00 0.00 H new ATOM 330 N ARG A 22 -4.455 -13.870 -5.134 1.00 0.00 N ATOM 331 CA ARG A 22 -3.637 -13.508 -3.979 1.00 0.00 C ATOM 332 C ARG A 22 -2.302 -14.254 -3.966 1.00 0.00 C ATOM 333 O ARG A 22 -1.338 -13.800 -3.349 1.00 0.00 O ATOM 334 CB ARG A 22 -4.403 -13.798 -2.685 1.00 0.00 C ATOM 335 CG ARG A 22 -5.011 -12.559 -2.044 1.00 0.00 C ATOM 336 CD ARG A 22 -6.332 -12.185 -2.695 1.00 0.00 C ATOM 337 NE ARG A 22 -7.425 -13.048 -2.256 1.00 0.00 N ATOM 338 CZ ARG A 22 -8.095 -12.877 -1.118 1.00 0.00 C ATOM 339 NH1 ARG A 22 -7.782 -11.883 -0.297 1.00 0.00 N ATOM 340 NH2 ARG A 22 -9.080 -13.706 -0.798 1.00 0.00 N ATOM 0 H ARG A 22 -5.409 -14.145 -4.901 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.421 -12.442 -4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.197 -14.514 -2.896 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.728 -14.271 -1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.167 -12.738 -0.980 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.314 -11.725 -2.128 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.572 -11.148 -2.458 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.233 -12.249 -3.779 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.691 -13.828 -2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.024 -11.244 -0.536 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.300 -11.758 0.573 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.324 -14.474 -1.424 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.594 -13.576 0.074 1.00 0.00 H new ATOM 354 N GLU A 23 -2.250 -15.403 -4.632 1.00 0.00 N ATOM 355 CA GLU A 23 -1.030 -16.205 -4.674 1.00 0.00 C ATOM 356 C GLU A 23 -0.285 -16.038 -5.997 1.00 0.00 C ATOM 357 O GLU A 23 0.929 -15.828 -6.010 1.00 0.00 O ATOM 358 CB GLU A 23 -1.362 -17.682 -4.445 1.00 0.00 C ATOM 359 CG GLU A 23 -0.694 -18.271 -3.213 1.00 0.00 C ATOM 360 CD GLU A 23 0.518 -19.114 -3.555 1.00 0.00 C ATOM 361 OE1 GLU A 23 1.603 -18.534 -3.771 1.00 0.00 O ATOM 362 OE2 GLU A 23 0.383 -20.354 -3.607 1.00 0.00 O ATOM 0 H GLU A 23 -3.035 -15.800 -5.149 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.376 -15.850 -3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.442 -17.793 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.058 -18.254 -5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.394 -17.463 -2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.415 -18.882 -2.670 1.00 0.00 H new ATOM 369 N LYS A 24 -1.010 -16.142 -7.106 1.00 0.00 N ATOM 370 CA LYS A 24 -0.405 -16.014 -8.431 1.00 0.00 C ATOM 371 C LYS A 24 -0.459 -14.572 -8.936 1.00 0.00 C ATOM 372 O LYS A 24 -0.521 -14.330 -10.141 1.00 0.00 O ATOM 373 CB LYS A 24 -1.107 -16.944 -9.423 1.00 0.00 C ATOM 374 CG LYS A 24 -0.305 -18.192 -9.756 1.00 0.00 C ATOM 375 CD LYS A 24 -0.564 -19.307 -8.754 1.00 0.00 C ATOM 376 CE LYS A 24 0.671 -19.608 -7.918 1.00 0.00 C ATOM 377 NZ LYS A 24 0.853 -21.070 -7.695 1.00 0.00 N ATOM 0 H LYS A 24 -2.015 -16.314 -7.116 1.00 0.00 H new ATOM 0 HA LYS A 24 0.643 -16.300 -8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.071 -17.241 -9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.309 -16.395 -10.343 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.563 -18.535 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.758 -17.950 -9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.387 -19.024 -8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.874 -20.208 -9.284 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.553 -19.205 -8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.589 -19.102 -6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.706 -21.230 -7.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.024 -21.451 -7.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.957 -21.551 -8.611 1.00 0.00 H new ATOM 391 N THR A 25 -0.439 -13.620 -8.009 1.00 0.00 N ATOM 392 CA THR A 25 -0.486 -12.206 -8.366 1.00 0.00 C ATOM 393 C THR A 25 0.869 -11.711 -8.865 1.00 0.00 C ATOM 394 O THR A 25 1.903 -12.323 -8.598 1.00 0.00 O ATOM 395 CB THR A 25 -0.915 -11.368 -7.163 1.00 0.00 C ATOM 396 OG1 THR A 25 -0.828 -9.989 -7.464 1.00 0.00 O ATOM 397 CG2 THR A 25 -0.075 -11.623 -5.929 1.00 0.00 C ATOM 0 H THR A 25 -0.391 -13.801 -7.006 1.00 0.00 H new ATOM 0 HA THR A 25 -1.214 -12.096 -9.170 1.00 0.00 H new ATOM 0 HB THR A 25 -1.942 -11.664 -6.951 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.729 -9.625 -7.592 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.431 -10.997 -5.111 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.155 -12.672 -5.645 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.967 -11.384 -6.142 1.00 0.00 H new ATOM 405 N SER A 26 0.850 -10.590 -9.580 1.00 0.00 N ATOM 406 CA SER A 26 2.071 -9.994 -10.108 1.00 0.00 C ATOM 407 C SER A 26 2.438 -8.740 -9.315 1.00 0.00 C ATOM 408 O SER A 26 1.559 -8.000 -8.874 1.00 0.00 O ATOM 409 CB SER A 26 1.899 -9.646 -11.587 1.00 0.00 C ATOM 410 OG SER A 26 0.727 -8.877 -11.796 1.00 0.00 O ATOM 0 H SER A 26 -0.001 -10.075 -9.807 1.00 0.00 H new ATOM 0 HA SER A 26 2.878 -10.720 -10.010 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.769 -9.091 -11.937 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.847 -10.562 -12.176 1.00 0.00 H new ATOM 0 HG SER A 26 0.640 -8.666 -12.749 1.00 0.00 H new ATOM 416 N PRO A 27 3.742 -8.484 -9.116 1.00 0.00 N ATOM 417 CA PRO A 27 4.209 -7.314 -8.368 1.00 0.00 C ATOM 418 C PRO A 27 4.111 -6.023 -9.176 1.00 0.00 C ATOM 419 O PRO A 27 4.337 -6.018 -10.386 1.00 0.00 O ATOM 420 CB PRO A 27 5.668 -7.653 -8.072 1.00 0.00 C ATOM 421 CG PRO A 27 6.085 -8.523 -9.207 1.00 0.00 C ATOM 422 CD PRO A 27 4.864 -9.314 -9.600 1.00 0.00 C ATOM 0 HA PRO A 27 3.607 -7.130 -7.478 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.281 -6.754 -8.015 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.770 -8.169 -7.117 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.447 -7.925 -10.043 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.899 -9.185 -8.912 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.814 -9.466 -10.678 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.860 -10.302 -9.139 1.00 0.00 H new ATOM 430 N LEU A 28 3.773 -4.932 -8.496 1.00 0.00 N ATOM 431 CA LEU A 28 3.645 -3.631 -9.144 1.00 0.00 C ATOM 432 C LEU A 28 4.345 -2.548 -8.329 1.00 0.00 C ATOM 433 O LEU A 28 4.562 -2.706 -7.126 1.00 0.00 O ATOM 434 CB LEU A 28 2.168 -3.270 -9.329 1.00 0.00 C ATOM 435 CG LEU A 28 1.430 -2.861 -8.049 1.00 0.00 C ATOM 436 CD1 LEU A 28 1.574 -1.366 -7.798 1.00 0.00 C ATOM 437 CD2 LEU A 28 -0.037 -3.252 -8.135 1.00 0.00 C ATOM 0 H LEU A 28 3.582 -4.923 -7.494 1.00 0.00 H new ATOM 0 HA LEU A 28 4.122 -3.693 -10.122 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.098 -2.453 -10.047 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.654 -4.125 -9.768 1.00 0.00 H new ATOM 0 HG LEU A 28 1.879 -3.390 -7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.043 -1.098 -6.885 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.629 -1.115 -7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.153 -0.814 -8.638 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.547 -2.955 -7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.498 -2.750 -8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.119 -4.331 -8.262 1.00 0.00 H new ATOM 449 N LEU A 29 4.693 -1.448 -8.989 1.00 0.00 N ATOM 450 CA LEU A 29 5.363 -0.340 -8.320 1.00 0.00 C ATOM 451 C LEU A 29 4.348 0.573 -7.640 1.00 0.00 C ATOM 452 O LEU A 29 3.555 1.242 -8.304 1.00 0.00 O ATOM 453 CB LEU A 29 6.203 0.459 -9.324 1.00 0.00 C ATOM 454 CG LEU A 29 6.721 1.811 -8.821 1.00 0.00 C ATOM 455 CD1 LEU A 29 7.162 1.717 -7.367 1.00 0.00 C ATOM 456 CD2 LEU A 29 7.866 2.301 -9.695 1.00 0.00 C ATOM 0 H LEU A 29 4.522 -1.301 -9.984 1.00 0.00 H new ATOM 0 HA LEU A 29 6.023 -0.751 -7.556 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.057 -0.149 -9.623 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.604 0.629 -10.219 1.00 0.00 H new ATOM 0 HG LEU A 29 5.905 2.531 -8.882 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.525 2.689 -7.033 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.317 1.414 -6.749 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.960 0.980 -7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.222 3.262 -9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.681 1.577 -9.667 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.517 2.415 -10.721 1.00 0.00 H new ATOM 468 N LEU A 30 4.381 0.596 -6.312 1.00 0.00 N ATOM 469 CA LEU A 30 3.467 1.426 -5.539 1.00 0.00 C ATOM 470 C LEU A 30 4.244 2.418 -4.675 1.00 0.00 C ATOM 471 O LEU A 30 5.211 2.050 -4.005 1.00 0.00 O ATOM 472 CB LEU A 30 2.556 0.537 -4.677 1.00 0.00 C ATOM 473 CG LEU A 30 2.146 1.114 -3.318 1.00 0.00 C ATOM 474 CD1 LEU A 30 1.444 2.452 -3.490 1.00 0.00 C ATOM 475 CD2 LEU A 30 1.252 0.135 -2.570 1.00 0.00 C ATOM 0 H LEU A 30 5.032 0.049 -5.749 1.00 0.00 H new ATOM 0 HA LEU A 30 2.842 1.999 -6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.651 0.319 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.063 -0.413 -4.508 1.00 0.00 H new ATOM 0 HG LEU A 30 3.049 1.276 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.162 2.843 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.116 3.155 -3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.550 2.318 -4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.971 0.562 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.354 -0.059 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.790 -0.799 -2.410 1.00 0.00 H new ATOM 487 N ARG A 31 3.818 3.680 -4.705 1.00 0.00 N ATOM 488 CA ARG A 31 4.470 4.732 -3.935 1.00 0.00 C ATOM 489 C ARG A 31 3.813 4.903 -2.568 1.00 0.00 C ATOM 490 O ARG A 31 2.615 5.181 -2.470 1.00 0.00 O ATOM 491 CB ARG A 31 4.426 6.057 -4.700 1.00 0.00 C ATOM 492 CG ARG A 31 5.556 6.218 -5.706 1.00 0.00 C ATOM 493 CD ARG A 31 6.247 7.565 -5.558 1.00 0.00 C ATOM 494 NE ARG A 31 5.402 8.668 -6.010 1.00 0.00 N ATOM 495 CZ ARG A 31 5.284 9.040 -7.283 1.00 0.00 C ATOM 496 NH1 ARG A 31 5.950 8.400 -8.235 1.00 0.00 N ATOM 497 NH2 ARG A 31 4.494 10.057 -7.605 1.00 0.00 N ATOM 0 H ARG A 31 3.021 3.997 -5.257 1.00 0.00 H new ATOM 0 HA ARG A 31 5.509 4.439 -3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.472 6.134 -5.222 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.466 6.880 -3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.283 5.418 -5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.161 6.120 -6.717 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.518 7.720 -4.514 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.175 7.561 -6.130 1.00 0.00 H new ATOM 0 HE ARG A 31 4.871 9.184 -5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.558 7.617 -7.994 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.854 8.691 -9.208 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.978 10.552 -6.878 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.403 10.343 -8.580 1.00 0.00 H new ATOM 511 N VAL A 32 4.607 4.736 -1.514 1.00 0.00 N ATOM 512 CA VAL A 32 4.108 4.872 -0.152 1.00 0.00 C ATOM 513 C VAL A 32 4.924 5.885 0.640 1.00 0.00 C ATOM 514 O VAL A 32 6.151 5.851 0.624 1.00 0.00 O ATOM 515 CB VAL A 32 4.141 3.526 0.599 1.00 0.00 C ATOM 516 CG1 VAL A 32 2.938 2.676 0.226 1.00 0.00 C ATOM 517 CG2 VAL A 32 5.438 2.783 0.314 1.00 0.00 C ATOM 0 H VAL A 32 5.599 4.506 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 32 3.077 5.217 -0.235 1.00 0.00 H new ATOM 0 HB VAL A 32 4.095 3.729 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.979 1.730 0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.023 3.205 0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.948 2.482 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.441 1.836 0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.520 2.591 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.284 3.389 0.640 1.00 0.00 H new ATOM 527 N PHE A 33 4.236 6.776 1.345 1.00 0.00 N ATOM 528 CA PHE A 33 4.903 7.785 2.158 1.00 0.00 C ATOM 529 C PHE A 33 4.780 7.418 3.628 1.00 0.00 C ATOM 530 O PHE A 33 3.685 7.421 4.190 1.00 0.00 O ATOM 531 CB PHE A 33 4.302 9.165 1.900 1.00 0.00 C ATOM 532 CG PHE A 33 4.131 9.480 0.441 1.00 0.00 C ATOM 533 CD1 PHE A 33 3.173 8.825 -0.318 1.00 0.00 C ATOM 534 CD2 PHE A 33 4.931 10.430 -0.174 1.00 0.00 C ATOM 535 CE1 PHE A 33 3.016 9.111 -1.660 1.00 0.00 C ATOM 536 CE2 PHE A 33 4.780 10.722 -1.515 1.00 0.00 C ATOM 537 CZ PHE A 33 3.821 10.061 -2.260 1.00 0.00 C ATOM 0 H PHE A 33 3.217 6.820 1.370 1.00 0.00 H new ATOM 0 HA PHE A 33 5.958 7.819 1.886 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.332 9.228 2.394 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.941 9.922 2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.542 8.082 0.146 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.682 10.949 0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.266 8.593 -2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.410 11.465 -1.981 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.701 10.287 -3.309 1.00 0.00 H new ATOM 547 N THR A 34 5.904 7.072 4.244 1.00 0.00 N ATOM 548 CA THR A 34 5.905 6.670 5.642 1.00 0.00 C ATOM 549 C THR A 34 6.561 7.707 6.547 1.00 0.00 C ATOM 550 O THR A 34 7.720 8.072 6.360 1.00 0.00 O ATOM 551 CB THR A 34 6.619 5.328 5.794 1.00 0.00 C ATOM 552 OG1 THR A 34 7.712 5.242 4.892 1.00 0.00 O ATOM 553 CG2 THR A 34 5.708 4.143 5.547 1.00 0.00 C ATOM 0 H THR A 34 6.822 7.062 3.799 1.00 0.00 H new ATOM 0 HA THR A 34 4.864 6.579 5.953 1.00 0.00 H new ATOM 0 HB THR A 34 6.963 5.287 6.827 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.553 5.300 5.391 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.272 3.219 5.670 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.884 4.163 6.260 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.311 4.194 4.533 1.00 0.00 H new ATOM 561 N THR A 35 5.810 8.145 7.550 1.00 0.00 N ATOM 562 CA THR A 35 6.306 9.110 8.526 1.00 0.00 C ATOM 563 C THR A 35 6.622 8.374 9.828 1.00 0.00 C ATOM 564 O THR A 35 6.193 7.234 10.000 1.00 0.00 O ATOM 565 CB THR A 35 5.275 10.223 8.770 1.00 0.00 C ATOM 566 OG1 THR A 35 5.411 10.757 10.074 1.00 0.00 O ATOM 567 CG2 THR A 35 3.835 9.770 8.609 1.00 0.00 C ATOM 0 H THR A 35 4.848 7.845 7.710 1.00 0.00 H new ATOM 0 HA THR A 35 7.211 9.581 8.141 1.00 0.00 H new ATOM 0 HB THR A 35 5.486 10.973 8.008 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.747 11.465 10.208 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.166 10.610 8.797 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.680 9.403 7.594 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.623 8.972 9.320 1.00 0.00 H new ATOM 575 N ASN A 36 7.366 9.003 10.742 1.00 0.00 N ATOM 576 CA ASN A 36 7.709 8.353 11.999 1.00 0.00 C ATOM 577 C ASN A 36 6.934 8.964 13.158 1.00 0.00 C ATOM 578 O ASN A 36 7.368 8.896 14.309 1.00 0.00 O ATOM 579 CB ASN A 36 9.212 8.470 12.251 1.00 0.00 C ATOM 580 CG ASN A 36 9.781 7.241 12.930 1.00 0.00 C ATOM 581 OD1 ASN A 36 10.645 6.559 12.381 1.00 0.00 O ATOM 582 ND2 ASN A 36 9.296 6.953 14.131 1.00 0.00 N ATOM 0 H ASN A 36 7.735 9.948 10.634 1.00 0.00 H new ATOM 0 HA ASN A 36 7.437 7.300 11.927 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.725 8.628 11.303 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.407 9.346 12.869 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.640 6.137 14.638 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.580 7.548 14.548 1.00 0.00 H new ATOM 589 N ASN A 37 5.786 9.560 12.854 1.00 0.00 N ATOM 590 CA ASN A 37 4.952 10.179 13.877 1.00 0.00 C ATOM 591 C ASN A 37 3.522 9.642 13.821 1.00 0.00 C ATOM 592 O ASN A 37 2.677 10.021 14.633 1.00 0.00 O ATOM 593 CB ASN A 37 4.944 11.699 13.708 1.00 0.00 C ATOM 594 CG ASN A 37 4.894 12.427 15.038 1.00 0.00 C ATOM 595 OD1 ASN A 37 5.911 12.578 15.715 1.00 0.00 O ATOM 596 ND2 ASN A 37 3.705 12.884 15.418 1.00 0.00 N ATOM 0 H ASN A 37 5.412 9.627 11.907 1.00 0.00 H new ATOM 0 HA ASN A 37 5.375 9.929 14.850 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.836 12.006 13.162 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.084 11.991 13.104 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.609 13.383 16.303 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.888 12.736 14.825 1.00 0.00 H new ATOM 603 N GLY A 38 3.253 8.759 12.860 1.00 0.00 N ATOM 604 CA GLY A 38 1.926 8.188 12.722 1.00 0.00 C ATOM 605 C GLY A 38 0.837 9.239 12.701 1.00 0.00 C ATOM 606 O GLY A 38 -0.088 9.198 13.512 1.00 0.00 O ATOM 0 H GLY A 38 3.933 8.430 12.175 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.880 7.605 11.802 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.744 7.499 13.546 1.00 0.00 H new ATOM 610 N ARG A 39 0.947 10.189 11.777 1.00 0.00 N ATOM 611 CA ARG A 39 -0.042 11.253 11.669 1.00 0.00 C ATOM 612 C ARG A 39 0.037 11.958 10.318 1.00 0.00 C ATOM 613 O ARG A 39 0.762 12.942 10.162 1.00 0.00 O ATOM 614 CB ARG A 39 0.155 12.264 12.800 1.00 0.00 C ATOM 615 CG ARG A 39 -0.910 12.181 13.882 1.00 0.00 C ATOM 616 CD ARG A 39 -1.065 13.505 14.611 1.00 0.00 C ATOM 617 NE ARG A 39 0.099 13.813 15.439 1.00 0.00 N ATOM 618 CZ ARG A 39 0.453 15.044 15.797 1.00 0.00 C ATOM 619 NH1 ARG A 39 -0.266 16.092 15.407 1.00 0.00 N ATOM 620 NH2 ARG A 39 1.529 15.232 16.549 1.00 0.00 N ATOM 0 H ARG A 39 1.706 10.243 11.097 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.031 10.802 11.752 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.134 12.105 13.252 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.158 13.270 12.381 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.863 11.896 13.436 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.646 11.400 14.595 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.215 14.304 13.884 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.957 13.472 15.237 1.00 0.00 H new ATOM 0 HE ARG A 39 0.675 13.036 15.762 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.095 15.955 14.829 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.012 17.033 15.686 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.085 14.433 16.853 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.801 16.176 16.824 1.00 0.00 H new ATOM 864 N GLU A 55 8.652 9.015 0.142 1.00 0.00 N ATOM 865 CA GLU A 55 8.041 7.913 -0.595 1.00 0.00 C ATOM 866 C GLU A 55 9.013 6.752 -0.781 1.00 0.00 C ATOM 867 O GLU A 55 10.200 6.954 -1.040 1.00 0.00 O ATOM 868 CB GLU A 55 7.545 8.399 -1.958 1.00 0.00 C ATOM 869 CG GLU A 55 8.621 9.078 -2.791 1.00 0.00 C ATOM 870 CD GLU A 55 8.229 10.478 -3.221 1.00 0.00 C ATOM 871 OE1 GLU A 55 8.115 11.359 -2.342 1.00 0.00 O ATOM 872 OE2 GLU A 55 8.036 10.695 -4.436 1.00 0.00 O ATOM 0 HA GLU A 55 7.196 7.553 -0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.148 7.550 -2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.720 9.095 -1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.546 9.124 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.826 8.474 -3.675 1.00 0.00 H new ATOM 879 N LEU A 56 8.495 5.531 -0.657 1.00 0.00 N ATOM 880 CA LEU A 56 9.306 4.329 -0.819 1.00 0.00 C ATOM 881 C LEU A 56 8.689 3.402 -1.863 1.00 0.00 C ATOM 882 O LEU A 56 7.469 3.248 -1.927 1.00 0.00 O ATOM 883 CB LEU A 56 9.469 3.569 0.509 1.00 0.00 C ATOM 884 CG LEU A 56 8.567 4.023 1.665 1.00 0.00 C ATOM 885 CD1 LEU A 56 7.900 2.826 2.323 1.00 0.00 C ATOM 886 CD2 LEU A 56 9.368 4.816 2.687 1.00 0.00 C ATOM 0 H LEU A 56 7.514 5.350 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 56 10.293 4.649 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.282 2.511 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.507 3.658 0.829 1.00 0.00 H new ATOM 0 HG LEU A 56 7.789 4.670 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.265 3.167 3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.293 2.298 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.663 2.153 2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.712 5.130 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.167 4.192 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.799 5.695 2.209 1.00 0.00 H new ATOM 898 N GLN A 57 9.540 2.783 -2.674 1.00 0.00 N ATOM 899 CA GLN A 57 9.077 1.867 -3.709 1.00 0.00 C ATOM 900 C GLN A 57 8.854 0.472 -3.134 1.00 0.00 C ATOM 901 O GLN A 57 9.726 -0.077 -2.460 1.00 0.00 O ATOM 902 CB GLN A 57 10.090 1.799 -4.856 1.00 0.00 C ATOM 903 CG GLN A 57 10.638 3.156 -5.272 1.00 0.00 C ATOM 904 CD GLN A 57 9.751 3.859 -6.280 1.00 0.00 C ATOM 905 OE1 GLN A 57 9.977 3.778 -7.488 1.00 0.00 O ATOM 906 NE2 GLN A 57 8.733 4.556 -5.788 1.00 0.00 N ATOM 0 H GLN A 57 10.553 2.899 -2.635 1.00 0.00 H new ATOM 0 HA GLN A 57 8.129 2.243 -4.094 1.00 0.00 H new ATOM 0 HB2 GLN A 57 10.920 1.158 -4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.618 1.328 -5.718 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.748 3.786 -4.389 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.633 3.027 -5.697 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.582 4.596 -4.780 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.102 5.051 -6.418 1.00 0.00 H new ATOM 915 N ILE A 58 7.682 -0.095 -3.400 1.00 0.00 N ATOM 916 CA ILE A 58 7.349 -1.428 -2.904 1.00 0.00 C ATOM 917 C ILE A 58 6.663 -2.260 -3.977 1.00 0.00 C ATOM 918 O ILE A 58 5.616 -1.878 -4.500 1.00 0.00 O ATOM 919 CB ILE A 58 6.430 -1.377 -1.663 1.00 0.00 C ATOM 920 CG1 ILE A 58 5.670 -0.050 -1.590 1.00 0.00 C ATOM 921 CG2 ILE A 58 7.242 -1.598 -0.399 1.00 0.00 C ATOM 922 CD1 ILE A 58 4.278 -0.192 -1.017 1.00 0.00 C ATOM 0 H ILE A 58 6.948 0.345 -3.955 1.00 0.00 H new ATOM 0 HA ILE A 58 8.296 -1.890 -2.624 1.00 0.00 H new ATOM 0 HB ILE A 58 5.695 -2.177 -1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.237 0.653 -0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.602 0.378 -2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.583 -1.560 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.727 -2.573 -0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.000 -0.820 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.793 0.784 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.696 -0.871 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.340 -0.592 -0.005 1.00 0.00 H new ATOM 934 N TYR A 59 7.248 -3.411 -4.290 1.00 0.00 N ATOM 935 CA TYR A 59 6.675 -4.304 -5.286 1.00 0.00 C ATOM 936 C TYR A 59 5.550 -5.119 -4.664 1.00 0.00 C ATOM 937 O TYR A 59 5.744 -6.267 -4.269 1.00 0.00 O ATOM 938 CB TYR A 59 7.751 -5.232 -5.854 1.00 0.00 C ATOM 939 CG TYR A 59 8.854 -4.504 -6.589 1.00 0.00 C ATOM 940 CD1 TYR A 59 8.594 -3.828 -7.776 1.00 0.00 C ATOM 941 CD2 TYR A 59 10.151 -4.487 -6.094 1.00 0.00 C ATOM 942 CE1 TYR A 59 9.599 -3.161 -8.450 1.00 0.00 C ATOM 943 CE2 TYR A 59 11.160 -3.821 -6.763 1.00 0.00 C ATOM 944 CZ TYR A 59 10.879 -3.159 -7.940 1.00 0.00 C ATOM 945 OH TYR A 59 11.883 -2.496 -8.607 1.00 0.00 O ATOM 0 H TYR A 59 8.115 -3.745 -3.869 1.00 0.00 H new ATOM 0 HA TYR A 59 6.270 -3.706 -6.103 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.188 -5.809 -5.039 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.283 -5.945 -6.533 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.591 -3.824 -8.177 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.375 -5.002 -5.172 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.382 -2.643 -9.373 1.00 0.00 H new ATOM 0 HE2 TYR A 59 12.164 -3.819 -6.366 1.00 0.00 H new ATOM 0 HH TYR A 59 12.723 -2.592 -8.112 1.00 0.00 H new ATOM 955 N THR A 60 4.377 -4.506 -4.567 1.00 0.00 N ATOM 956 CA THR A 60 3.217 -5.161 -3.980 1.00 0.00 C ATOM 957 C THR A 60 2.178 -5.483 -5.046 1.00 0.00 C ATOM 958 O THR A 60 2.389 -5.230 -6.231 1.00 0.00 O ATOM 959 CB THR A 60 2.609 -4.274 -2.887 1.00 0.00 C ATOM 960 OG1 THR A 60 1.717 -5.018 -2.069 1.00 0.00 O ATOM 961 CG2 THR A 60 1.858 -3.074 -3.431 1.00 0.00 C ATOM 0 H THR A 60 4.205 -3.553 -4.889 1.00 0.00 H new ATOM 0 HA THR A 60 3.541 -6.100 -3.531 1.00 0.00 H new ATOM 0 HB THR A 60 3.458 -3.911 -2.308 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.793 -4.807 -2.317 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.455 -2.491 -2.603 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.538 -2.453 -4.014 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.041 -3.414 -4.067 1.00 0.00 H new ATOM 969 N TRP A 61 1.051 -6.043 -4.625 1.00 0.00 N ATOM 970 CA TRP A 61 -0.011 -6.388 -5.570 1.00 0.00 C ATOM 971 C TRP A 61 -1.384 -5.926 -5.098 1.00 0.00 C ATOM 972 O TRP A 61 -1.852 -6.296 -4.024 1.00 0.00 O ATOM 973 CB TRP A 61 -0.030 -7.890 -5.859 1.00 0.00 C ATOM 974 CG TRP A 61 -0.124 -8.754 -4.641 1.00 0.00 C ATOM 975 CD1 TRP A 61 -1.218 -9.450 -4.215 1.00 0.00 C ATOM 976 CD2 TRP A 61 0.922 -9.034 -3.706 1.00 0.00 C ATOM 977 NE1 TRP A 61 -0.917 -10.147 -3.071 1.00 0.00 N ATOM 978 CE2 TRP A 61 0.392 -9.906 -2.736 1.00 0.00 C ATOM 979 CE3 TRP A 61 2.256 -8.631 -3.591 1.00 0.00 C ATOM 980 CZ2 TRP A 61 1.147 -10.382 -1.670 1.00 0.00 C ATOM 981 CZ3 TRP A 61 3.005 -9.105 -2.532 1.00 0.00 C ATOM 982 CH2 TRP A 61 2.450 -9.971 -1.584 1.00 0.00 C ATOM 0 H TRP A 61 0.847 -6.267 -3.651 1.00 0.00 H new ATOM 0 HA TRP A 61 0.215 -5.855 -6.493 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -0.874 -8.111 -6.512 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.875 -8.153 -6.407 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.180 -9.452 -4.706 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -1.561 -10.746 -2.554 1.00 0.00 H new ATOM 0 HE3 TRP A 61 2.693 -7.961 -4.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.721 -11.051 -0.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.037 -8.802 -2.434 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.062 -10.323 -0.767 1.00 0.00 H new ATOM 993 N MET A 62 -2.016 -5.106 -5.935 1.00 0.00 N ATOM 994 CA MET A 62 -3.346 -4.544 -5.667 1.00 0.00 C ATOM 995 C MET A 62 -4.230 -5.486 -4.845 1.00 0.00 C ATOM 996 O MET A 62 -5.009 -5.039 -4.003 1.00 0.00 O ATOM 997 CB MET A 62 -4.045 -4.214 -6.993 1.00 0.00 C ATOM 998 CG MET A 62 -4.283 -2.728 -7.206 1.00 0.00 C ATOM 999 SD MET A 62 -2.943 -1.934 -8.110 1.00 0.00 S ATOM 1000 CE MET A 62 -2.157 -0.998 -6.802 1.00 0.00 C ATOM 0 H MET A 62 -1.620 -4.808 -6.826 1.00 0.00 H new ATOM 0 HA MET A 62 -3.199 -3.639 -5.078 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.443 -4.598 -7.816 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.002 -4.735 -7.028 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.217 -2.588 -7.751 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.402 -2.241 -6.238 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.362 -0.382 -7.222 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.895 -0.358 -6.319 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.735 -1.684 -6.067 1.00 0.00 H new ATOM 1010 N ASP A 63 -4.112 -6.789 -5.093 1.00 0.00 N ATOM 1011 CA ASP A 63 -4.911 -7.781 -4.373 1.00 0.00 C ATOM 1012 C ASP A 63 -4.175 -8.310 -3.139 1.00 0.00 C ATOM 1013 O ASP A 63 -4.372 -9.455 -2.735 1.00 0.00 O ATOM 1014 CB ASP A 63 -5.268 -8.942 -5.304 1.00 0.00 C ATOM 1015 CG ASP A 63 -6.707 -8.881 -5.776 1.00 0.00 C ATOM 1016 OD1 ASP A 63 -7.129 -7.810 -6.259 1.00 0.00 O ATOM 1017 OD2 ASP A 63 -7.414 -9.906 -5.663 1.00 0.00 O ATOM 0 H ASP A 63 -3.473 -7.182 -5.784 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.824 -7.291 -4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.604 -8.929 -6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.098 -9.886 -4.786 1.00 0.00 H new ATOM 1022 N ALA A 64 -3.327 -7.474 -2.550 1.00 0.00 N ATOM 1023 CA ALA A 64 -2.563 -7.863 -1.369 1.00 0.00 C ATOM 1024 C ALA A 64 -3.286 -7.466 -0.089 1.00 0.00 C ATOM 1025 O ALA A 64 -3.867 -6.384 -0.002 1.00 0.00 O ATOM 1026 CB ALA A 64 -1.180 -7.230 -1.403 1.00 0.00 C ATOM 0 H ALA A 64 -3.151 -6.522 -2.871 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.460 -8.948 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.621 -7.529 -0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.649 -7.563 -2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.277 -6.144 -1.422 1.00 0.00 H new ATOM 1032 N THR A 65 -3.238 -8.341 0.911 1.00 0.00 N ATOM 1033 CA THR A 65 -3.879 -8.066 2.190 1.00 0.00 C ATOM 1034 C THR A 65 -3.041 -7.075 2.995 1.00 0.00 C ATOM 1035 O THR A 65 -1.824 -7.003 2.818 1.00 0.00 O ATOM 1036 CB THR A 65 -4.085 -9.360 2.982 1.00 0.00 C ATOM 1037 OG1 THR A 65 -3.314 -10.415 2.436 1.00 0.00 O ATOM 1038 CG2 THR A 65 -5.530 -9.813 3.014 1.00 0.00 C ATOM 0 H THR A 65 -2.764 -9.243 0.860 1.00 0.00 H new ATOM 0 HA THR A 65 -4.857 -7.625 1.999 1.00 0.00 H new ATOM 0 HB THR A 65 -3.768 -9.131 3.999 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.361 -10.203 2.523 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.610 -10.735 3.590 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.143 -9.041 3.478 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.878 -9.990 1.996 1.00 0.00 H new ATOM 1046 N LEU A 66 -3.695 -6.323 3.877 1.00 0.00 N ATOM 1047 CA LEU A 66 -3.011 -5.335 4.712 1.00 0.00 C ATOM 1048 C LEU A 66 -1.702 -5.896 5.264 1.00 0.00 C ATOM 1049 O LEU A 66 -0.738 -5.160 5.477 1.00 0.00 O ATOM 1050 CB LEU A 66 -3.922 -4.898 5.858 1.00 0.00 C ATOM 1051 CG LEU A 66 -4.755 -3.631 5.613 1.00 0.00 C ATOM 1052 CD1 LEU A 66 -4.073 -2.417 6.222 1.00 0.00 C ATOM 1053 CD2 LEU A 66 -5.004 -3.407 4.126 1.00 0.00 C ATOM 0 H LEU A 66 -4.701 -6.378 4.033 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.774 -4.469 4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.603 -5.718 6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.307 -4.738 6.744 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.721 -3.772 6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.678 -1.529 6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.961 -2.563 7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.090 -2.286 5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.596 -2.502 3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.050 -3.298 3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.544 -4.260 3.715 1.00 0.00 H new ATOM 1065 N LYS A 67 -1.676 -7.207 5.490 1.00 0.00 N ATOM 1066 CA LYS A 67 -0.487 -7.865 6.012 1.00 0.00 C ATOM 1067 C LYS A 67 0.689 -7.709 5.050 1.00 0.00 C ATOM 1068 O LYS A 67 1.749 -7.212 5.430 1.00 0.00 O ATOM 1069 CB LYS A 67 -0.766 -9.347 6.265 1.00 0.00 C ATOM 1070 CG LYS A 67 0.210 -9.993 7.235 1.00 0.00 C ATOM 1071 CD LYS A 67 -0.350 -11.282 7.813 1.00 0.00 C ATOM 1072 CE LYS A 67 0.035 -12.486 6.968 1.00 0.00 C ATOM 1073 NZ LYS A 67 1.422 -12.948 7.253 1.00 0.00 N ATOM 0 H LYS A 67 -2.464 -7.831 5.319 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.224 -7.389 6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.778 -9.456 6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.730 -9.882 5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.150 -10.201 6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.435 -9.298 8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.020 -11.417 8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.436 -11.212 7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.664 -13.300 7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.052 -12.230 5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.644 -13.770 6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.093 -12.180 7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.499 -13.217 8.255 1.00 0.00 H new ATOM 1087 N GLU A 68 0.500 -8.134 3.802 1.00 0.00 N ATOM 1088 CA GLU A 68 1.548 -8.037 2.794 1.00 0.00 C ATOM 1089 C GLU A 68 2.134 -6.631 2.745 1.00 0.00 C ATOM 1090 O GLU A 68 3.345 -6.457 2.609 1.00 0.00 O ATOM 1091 CB GLU A 68 0.990 -8.422 1.427 1.00 0.00 C ATOM 1092 CG GLU A 68 0.494 -9.855 1.360 1.00 0.00 C ATOM 1093 CD GLU A 68 1.629 -10.863 1.350 1.00 0.00 C ATOM 1094 OE1 GLU A 68 2.763 -10.484 1.707 1.00 0.00 O ATOM 1095 OE2 GLU A 68 1.381 -12.031 0.985 1.00 0.00 O ATOM 0 H GLU A 68 -0.370 -8.548 3.467 1.00 0.00 H new ATOM 0 HA GLU A 68 2.348 -8.727 3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.170 -7.749 1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.764 -8.278 0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.155 -10.052 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.111 -9.985 0.463 1.00 0.00 H new ATOM 1102 N LEU A 69 1.270 -5.628 2.863 1.00 0.00 N ATOM 1103 CA LEU A 69 1.715 -4.241 2.834 1.00 0.00 C ATOM 1104 C LEU A 69 2.533 -3.911 4.080 1.00 0.00 C ATOM 1105 O LEU A 69 3.377 -3.016 4.062 1.00 0.00 O ATOM 1106 CB LEU A 69 0.517 -3.290 2.719 1.00 0.00 C ATOM 1107 CG LEU A 69 -0.404 -3.527 1.512 1.00 0.00 C ATOM 1108 CD1 LEU A 69 0.389 -3.980 0.295 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.482 -4.543 1.860 1.00 0.00 C ATOM 0 H LEU A 69 0.264 -5.749 2.979 1.00 0.00 H new ATOM 0 HA LEU A 69 2.349 -4.108 1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.078 -3.372 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.891 -2.267 2.673 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.885 -2.581 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.290 -4.140 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.118 -3.214 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.907 -4.911 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.126 -4.700 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.015 -5.487 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.078 -4.170 2.693 1.00 0.00 H new ATOM 1121 N THR A 70 2.285 -4.652 5.160 1.00 0.00 N ATOM 1122 CA THR A 70 3.007 -4.447 6.413 1.00 0.00 C ATOM 1123 C THR A 70 4.474 -4.846 6.256 1.00 0.00 C ATOM 1124 O THR A 70 5.361 -4.250 6.866 1.00 0.00 O ATOM 1125 CB THR A 70 2.361 -5.258 7.539 1.00 0.00 C ATOM 1126 OG1 THR A 70 1.018 -4.855 7.741 1.00 0.00 O ATOM 1127 CG2 THR A 70 3.083 -5.128 8.862 1.00 0.00 C ATOM 0 H THR A 70 1.590 -5.398 5.191 1.00 0.00 H new ATOM 0 HA THR A 70 2.958 -3.389 6.669 1.00 0.00 H new ATOM 0 HB THR A 70 2.417 -6.297 7.214 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.998 -3.921 8.038 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.573 -5.728 9.616 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.109 -5.479 8.753 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.088 -4.083 9.172 1.00 0.00 H new ATOM 1135 N SER A 71 4.718 -5.860 5.432 1.00 0.00 N ATOM 1136 CA SER A 71 6.077 -6.340 5.196 1.00 0.00 C ATOM 1137 C SER A 71 6.776 -5.506 4.127 1.00 0.00 C ATOM 1138 O SER A 71 7.941 -5.147 4.272 1.00 0.00 O ATOM 1139 CB SER A 71 6.057 -7.811 4.775 1.00 0.00 C ATOM 1140 OG SER A 71 5.785 -8.654 5.881 1.00 0.00 O ATOM 0 H SER A 71 3.996 -6.364 4.918 1.00 0.00 H new ATOM 0 HA SER A 71 6.633 -6.242 6.128 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.301 -7.962 4.004 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.018 -8.080 4.336 1.00 0.00 H new ATOM 0 HG SER A 71 5.776 -9.588 5.586 1.00 0.00 H new ATOM 1146 N LEU A 72 6.051 -5.200 3.058 1.00 0.00 N ATOM 1147 CA LEU A 72 6.590 -4.403 1.959 1.00 0.00 C ATOM 1148 C LEU A 72 7.201 -3.100 2.473 1.00 0.00 C ATOM 1149 O LEU A 72 8.345 -2.765 2.151 1.00 0.00 O ATOM 1150 CB LEU A 72 5.483 -4.114 0.946 1.00 0.00 C ATOM 1151 CG LEU A 72 5.285 -5.198 -0.118 1.00 0.00 C ATOM 1152 CD1 LEU A 72 3.805 -5.450 -0.359 1.00 0.00 C ATOM 1153 CD2 LEU A 72 5.979 -4.807 -1.415 1.00 0.00 C ATOM 0 H LEU A 72 5.083 -5.493 2.927 1.00 0.00 H new ATOM 0 HA LEU A 72 7.383 -4.970 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.545 -3.977 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.704 -3.171 0.446 1.00 0.00 H new ATOM 0 HG LEU A 72 5.734 -6.122 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.686 -6.223 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.336 -5.777 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.330 -4.530 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.827 -5.589 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.561 -3.870 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.046 -4.681 -1.233 1.00 0.00 H new ATOM 1165 N VAL A 73 6.440 -2.368 3.280 1.00 0.00 N ATOM 1166 CA VAL A 73 6.914 -1.111 3.837 1.00 0.00 C ATOM 1167 C VAL A 73 8.029 -1.355 4.846 1.00 0.00 C ATOM 1168 O VAL A 73 9.035 -0.649 4.852 1.00 0.00 O ATOM 1169 CB VAL A 73 5.768 -0.335 4.519 1.00 0.00 C ATOM 1170 CG1 VAL A 73 6.301 0.859 5.297 1.00 0.00 C ATOM 1171 CG2 VAL A 73 4.742 0.114 3.488 1.00 0.00 C ATOM 0 H VAL A 73 5.494 -2.625 3.561 1.00 0.00 H new ATOM 0 HA VAL A 73 7.300 -0.514 3.011 1.00 0.00 H new ATOM 0 HB VAL A 73 5.281 -1.006 5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.471 1.387 5.767 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.993 0.513 6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.822 1.533 4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.941 0.660 3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.222 0.763 2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.327 -0.759 2.983 1.00 0.00 H new ATOM 1181 N LYS A 74 7.841 -2.353 5.703 1.00 0.00 N ATOM 1182 CA LYS A 74 8.834 -2.675 6.720 1.00 0.00 C ATOM 1183 C LYS A 74 10.149 -3.108 6.086 1.00 0.00 C ATOM 1184 O LYS A 74 11.221 -2.894 6.652 1.00 0.00 O ATOM 1185 CB LYS A 74 8.298 -3.761 7.655 1.00 0.00 C ATOM 1186 CG LYS A 74 7.270 -3.251 8.659 1.00 0.00 C ATOM 1187 CD LYS A 74 6.568 -1.991 8.168 1.00 0.00 C ATOM 1188 CE LYS A 74 5.551 -1.486 9.175 1.00 0.00 C ATOM 1189 NZ LYS A 74 5.460 0.001 9.180 1.00 0.00 N ATOM 0 H LYS A 74 7.014 -2.950 5.714 1.00 0.00 H new ATOM 0 HA LYS A 74 9.029 -1.776 7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.847 -4.553 7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.132 -4.206 8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.530 -4.029 8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.763 -3.044 9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.308 -1.214 7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.070 -2.198 7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.573 -1.908 8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.823 -1.836 10.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.163 0.327 10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.390 0.406 8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.764 0.309 8.471 1.00 0.00 H new ATOM 1203 N GLU A 75 10.066 -3.702 4.904 1.00 0.00 N ATOM 1204 CA GLU A 75 11.257 -4.140 4.193 1.00 0.00 C ATOM 1205 C GLU A 75 12.057 -2.929 3.737 1.00 0.00 C ATOM 1206 O GLU A 75 13.287 -2.952 3.713 1.00 0.00 O ATOM 1207 CB GLU A 75 10.880 -5.007 2.992 1.00 0.00 C ATOM 1208 CG GLU A 75 11.922 -6.057 2.647 1.00 0.00 C ATOM 1209 CD GLU A 75 12.547 -5.834 1.283 1.00 0.00 C ATOM 1210 OE1 GLU A 75 13.359 -4.895 1.149 1.00 0.00 O ATOM 1211 OE2 GLU A 75 12.224 -6.599 0.351 1.00 0.00 O ATOM 0 H GLU A 75 9.189 -3.891 4.419 1.00 0.00 H new ATOM 0 HA GLU A 75 11.868 -4.740 4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.931 -5.503 3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.724 -4.364 2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.704 -6.050 3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.460 -7.044 2.674 1.00 0.00 H new ATOM 1218 N VAL A 76 11.341 -1.863 3.385 1.00 0.00 N ATOM 1219 CA VAL A 76 11.980 -0.628 2.939 1.00 0.00 C ATOM 1220 C VAL A 76 12.332 0.263 4.126 1.00 0.00 C ATOM 1221 O VAL A 76 13.281 1.044 4.073 1.00 0.00 O ATOM 1222 CB VAL A 76 11.080 0.175 1.974 1.00 0.00 C ATOM 1223 CG1 VAL A 76 11.925 0.917 0.952 1.00 0.00 C ATOM 1224 CG2 VAL A 76 10.068 -0.727 1.285 1.00 0.00 C ATOM 0 H VAL A 76 10.322 -1.830 3.400 1.00 0.00 H new ATOM 0 HA VAL A 76 12.887 -0.925 2.412 1.00 0.00 H new ATOM 0 HB VAL A 76 10.525 0.907 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.275 1.477 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.596 1.605 1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.511 0.201 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 76 9.449 -0.133 0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.593 -1.493 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.435 -1.203 2.034 1.00 0.00 H new ATOM 1234 N TYR A 77 11.548 0.146 5.192 1.00 0.00 N ATOM 1235 CA TYR A 77 11.756 0.944 6.396 1.00 0.00 C ATOM 1236 C TYR A 77 12.289 0.084 7.538 1.00 0.00 C ATOM 1237 O TYR A 77 11.627 -0.853 7.984 1.00 0.00 O ATOM 1238 CB TYR A 77 10.440 1.607 6.806 1.00 0.00 C ATOM 1239 CG TYR A 77 10.581 3.062 7.186 1.00 0.00 C ATOM 1240 CD1 TYR A 77 11.517 3.469 8.128 1.00 0.00 C ATOM 1241 CD2 TYR A 77 9.776 4.029 6.598 1.00 0.00 C ATOM 1242 CE1 TYR A 77 11.646 4.803 8.473 1.00 0.00 C ATOM 1243 CE2 TYR A 77 9.898 5.362 6.938 1.00 0.00 C ATOM 1244 CZ TYR A 77 10.835 5.743 7.876 1.00 0.00 C ATOM 1245 OH TYR A 77 10.961 7.071 8.218 1.00 0.00 O ATOM 0 H TYR A 77 10.758 -0.497 5.247 1.00 0.00 H new ATOM 0 HA TYR A 77 12.498 1.712 6.179 1.00 0.00 H new ATOM 0 HB2 TYR A 77 9.730 1.524 5.983 1.00 0.00 H new ATOM 0 HB3 TYR A 77 10.016 1.061 7.649 1.00 0.00 H new ATOM 0 HD1 TYR A 77 12.153 2.734 8.598 1.00 0.00 H new ATOM 0 HD2 TYR A 77 9.042 3.734 5.863 1.00 0.00 H new ATOM 0 HE1 TYR A 77 12.379 5.106 9.206 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.264 6.102 6.472 1.00 0.00 H new ATOM 0 HH TYR A 77 10.317 7.603 7.706 1.00 0.00 H new ATOM 1255 N PRO A 78 13.502 0.394 8.030 1.00 0.00 N ATOM 1256 CA PRO A 78 14.123 -0.355 9.124 1.00 0.00 C ATOM 1257 C PRO A 78 13.458 -0.094 10.473 1.00 0.00 C ATOM 1258 O PRO A 78 13.166 -1.026 11.222 1.00 0.00 O ATOM 1259 CB PRO A 78 15.561 0.164 9.132 1.00 0.00 C ATOM 1260 CG PRO A 78 15.478 1.533 8.556 1.00 0.00 C ATOM 1261 CD PRO A 78 14.361 1.496 7.553 1.00 0.00 C ATOM 0 HA PRO A 78 14.038 -1.431 8.975 1.00 0.00 H new ATOM 0 HB2 PRO A 78 15.968 0.185 10.143 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.215 -0.475 8.539 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.280 2.271 9.333 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.418 1.814 8.082 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.819 2.441 7.521 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.733 1.307 6.546 1.00 0.00 H new ATOM 1269 N GLU A 79 13.228 1.178 10.779 1.00 0.00 N ATOM 1270 CA GLU A 79 12.604 1.564 12.042 1.00 0.00 C ATOM 1271 C GLU A 79 11.231 0.918 12.209 1.00 0.00 C ATOM 1272 O GLU A 79 10.725 0.797 13.325 1.00 0.00 O ATOM 1273 CB GLU A 79 12.476 3.086 12.125 1.00 0.00 C ATOM 1274 CG GLU A 79 11.881 3.576 13.435 1.00 0.00 C ATOM 1275 CD GLU A 79 10.384 3.802 13.347 1.00 0.00 C ATOM 1276 OE1 GLU A 79 9.904 4.180 12.257 1.00 0.00 O ATOM 1277 OE2 GLU A 79 9.692 3.602 14.367 1.00 0.00 O ATOM 0 H GLU A 79 13.464 1.961 10.170 1.00 0.00 H new ATOM 0 HA GLU A 79 13.244 1.210 12.850 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.461 3.533 11.994 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.855 3.436 11.300 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.089 2.848 14.219 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.369 4.506 13.726 1.00 0.00 H new ATOM 1284 N ALA A 80 10.625 0.511 11.098 1.00 0.00 N ATOM 1285 CA ALA A 80 9.307 -0.112 11.133 1.00 0.00 C ATOM 1286 C ALA A 80 9.374 -1.535 11.681 1.00 0.00 C ATOM 1287 O ALA A 80 8.425 -2.016 12.300 1.00 0.00 O ATOM 1288 CB ALA A 80 8.692 -0.115 9.743 1.00 0.00 C ATOM 0 H ALA A 80 11.025 0.601 10.164 1.00 0.00 H new ATOM 0 HA ALA A 80 8.679 0.475 11.803 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.708 -0.583 9.781 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.593 0.910 9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.333 -0.675 9.063 1.00 0.00 H new ATOM 1294 N ARG A 81 10.495 -2.205 11.444 1.00 0.00 N ATOM 1295 CA ARG A 81 10.684 -3.576 11.909 1.00 0.00 C ATOM 1296 C ARG A 81 10.521 -3.691 13.426 1.00 0.00 C ATOM 1297 O ARG A 81 10.365 -4.792 13.955 1.00 0.00 O ATOM 1298 CB ARG A 81 12.066 -4.087 11.498 1.00 0.00 C ATOM 1299 CG ARG A 81 12.172 -4.433 10.020 1.00 0.00 C ATOM 1300 CD ARG A 81 11.701 -5.851 9.744 1.00 0.00 C ATOM 1301 NE ARG A 81 12.730 -6.842 10.058 1.00 0.00 N ATOM 1302 CZ ARG A 81 12.747 -8.076 9.563 1.00 0.00 C ATOM 1303 NH1 ARG A 81 11.793 -8.481 8.732 1.00 0.00 N ATOM 1304 NH2 ARG A 81 13.720 -8.912 9.900 1.00 0.00 N ATOM 0 H ARG A 81 11.289 -1.821 10.932 1.00 0.00 H new ATOM 0 HA ARG A 81 9.913 -4.188 11.442 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.811 -3.329 11.740 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.308 -4.971 12.088 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.576 -3.731 9.437 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.206 -4.322 9.693 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.808 -6.057 10.333 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.419 -5.941 8.695 1.00 0.00 H new ATOM 0 HE ARG A 81 13.479 -6.570 10.695 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.041 -7.844 8.470 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.813 -9.429 8.356 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.455 -8.608 10.539 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.733 -9.859 9.520 1.00 0.00 H new ATOM 1318 N LYS A 82 10.561 -2.558 14.123 1.00 0.00 N ATOM 1319 CA LYS A 82 10.418 -2.555 15.574 1.00 0.00 C ATOM 1320 C LYS A 82 9.069 -3.128 15.993 1.00 0.00 C ATOM 1321 O LYS A 82 8.041 -2.830 15.383 1.00 0.00 O ATOM 1322 CB LYS A 82 10.575 -1.135 16.122 1.00 0.00 C ATOM 1323 CG LYS A 82 11.269 -1.076 17.472 1.00 0.00 C ATOM 1324 CD LYS A 82 12.775 -0.918 17.321 1.00 0.00 C ATOM 1325 CE LYS A 82 13.524 -2.107 17.904 1.00 0.00 C ATOM 1326 NZ LYS A 82 13.570 -2.059 19.392 1.00 0.00 N ATOM 0 H LYS A 82 10.691 -1.635 13.708 1.00 0.00 H new ATOM 0 HA LYS A 82 11.203 -3.186 15.990 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.141 -0.539 15.406 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.590 -0.677 16.209 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.871 -0.242 18.050 1.00 0.00 H new ATOM 0 HG3 LYS A 82 11.052 -1.985 18.033 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.026 -0.811 16.266 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.097 -0.004 17.820 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.042 -3.031 17.585 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.540 -2.125 17.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.089 -2.886 19.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.052 -1.189 19.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.601 -2.068 19.770 1.00 0.00 H new ATOM 1340 N LYS A 83 9.078 -3.950 17.036 1.00 0.00 N ATOM 1341 CA LYS A 83 7.855 -4.566 17.536 1.00 0.00 C ATOM 1342 C LYS A 83 6.994 -3.543 18.270 1.00 0.00 C ATOM 1343 O LYS A 83 7.503 -2.721 19.033 1.00 0.00 O ATOM 1344 CB LYS A 83 8.189 -5.731 18.469 1.00 0.00 C ATOM 1345 CG LYS A 83 7.019 -6.672 18.709 1.00 0.00 C ATOM 1346 CD LYS A 83 7.454 -7.921 19.458 1.00 0.00 C ATOM 1347 CE LYS A 83 7.553 -7.668 20.956 1.00 0.00 C ATOM 1348 NZ LYS A 83 6.704 -8.610 21.736 1.00 0.00 N ATOM 0 H LYS A 83 9.920 -4.205 17.552 1.00 0.00 H new ATOM 0 HA LYS A 83 7.293 -4.944 16.682 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.019 -6.297 18.047 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.528 -5.334 19.426 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.246 -6.156 19.278 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.576 -6.955 17.754 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.743 -8.725 19.270 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.420 -8.255 19.080 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.591 -7.768 21.273 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.251 -6.643 21.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.800 -8.404 22.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.710 -8.498 21.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.009 -9.587 21.550 1.00 0.00 H new ATOM 1362 N GLY A 84 5.687 -3.600 18.034 1.00 0.00 N ATOM 1363 CA GLY A 84 4.777 -2.673 18.681 1.00 0.00 C ATOM 1364 C GLY A 84 4.538 -1.417 17.864 1.00 0.00 C ATOM 1365 O GLY A 84 3.912 -0.472 18.342 1.00 0.00 O ATOM 0 H GLY A 84 5.242 -4.271 17.407 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.824 -3.171 18.860 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.180 -2.396 19.655 1.00 0.00 H new ATOM 1369 N THR A 85 5.040 -1.399 16.632 1.00 0.00 N ATOM 1370 CA THR A 85 4.875 -0.244 15.757 1.00 0.00 C ATOM 1371 C THR A 85 3.484 -0.228 15.123 1.00 0.00 C ATOM 1372 O THR A 85 3.135 -1.115 14.344 1.00 0.00 O ATOM 1373 CB THR A 85 5.950 -0.258 14.667 1.00 0.00 C ATOM 1374 OG1 THR A 85 7.243 -0.207 15.240 1.00 0.00 O ATOM 1375 CG2 THR A 85 5.834 0.896 13.696 1.00 0.00 C ATOM 0 H THR A 85 5.564 -2.170 16.218 1.00 0.00 H new ATOM 0 HA THR A 85 4.983 0.659 16.358 1.00 0.00 H new ATOM 0 HB THR A 85 5.795 -1.188 14.120 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.637 -1.104 15.238 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.626 0.825 12.950 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.864 0.858 13.200 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.928 1.838 14.237 1.00 0.00 H new ATOM 1383 N HIS A 86 2.698 0.790 15.461 1.00 0.00 N ATOM 1384 CA HIS A 86 1.344 0.930 14.926 1.00 0.00 C ATOM 1385 C HIS A 86 1.342 1.824 13.688 1.00 0.00 C ATOM 1386 O HIS A 86 1.639 3.014 13.777 1.00 0.00 O ATOM 1387 CB HIS A 86 0.404 1.519 15.982 1.00 0.00 C ATOM 1388 CG HIS A 86 0.618 0.982 17.363 1.00 0.00 C ATOM 1389 ND1 HIS A 86 -0.332 0.243 18.037 1.00 0.00 N ATOM 1390 CD2 HIS A 86 1.677 1.085 18.203 1.00 0.00 C ATOM 1391 CE1 HIS A 86 0.132 -0.084 19.230 1.00 0.00 C ATOM 1392 NE2 HIS A 86 1.349 0.414 19.355 1.00 0.00 N ATOM 0 H HIS A 86 2.974 1.532 16.104 1.00 0.00 H new ATOM 0 HA HIS A 86 0.991 -0.063 14.648 1.00 0.00 H new ATOM 0 HB2 HIS A 86 0.531 2.601 16.002 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -0.626 1.324 15.684 1.00 0.00 H new ATOM 0 HD2 HIS A 86 2.606 1.599 18.003 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.394 -0.661 19.976 1.00 0.00 H new ATOM 0 HE2 HIS A 86 1.948 0.316 20.175 1.00 0.00 H new ATOM 1400 N PHE A 87 1.000 1.250 12.538 1.00 0.00 N ATOM 1401 CA PHE A 87 0.959 2.014 11.293 1.00 0.00 C ATOM 1402 C PHE A 87 -0.413 1.925 10.635 1.00 0.00 C ATOM 1403 O PHE A 87 -0.971 0.839 10.480 1.00 0.00 O ATOM 1404 CB PHE A 87 2.039 1.537 10.315 1.00 0.00 C ATOM 1405 CG PHE A 87 2.550 0.153 10.593 1.00 0.00 C ATOM 1406 CD1 PHE A 87 3.568 -0.050 11.510 1.00 0.00 C ATOM 1407 CD2 PHE A 87 2.018 -0.941 9.933 1.00 0.00 C ATOM 1408 CE1 PHE A 87 4.045 -1.321 11.763 1.00 0.00 C ATOM 1409 CE2 PHE A 87 2.492 -2.214 10.183 1.00 0.00 C ATOM 1410 CZ PHE A 87 3.506 -2.404 11.098 1.00 0.00 C ATOM 0 H PHE A 87 0.749 0.266 12.441 1.00 0.00 H new ATOM 0 HA PHE A 87 1.155 3.056 11.547 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.636 1.567 9.303 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.876 2.235 10.346 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.993 0.794 12.032 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.224 -0.798 9.215 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.839 -1.468 12.480 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.069 -3.060 9.662 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.878 -3.399 11.294 1.00 0.00 H new ATOM 1420 N ASN A 88 -0.950 3.079 10.250 1.00 0.00 N ATOM 1421 CA ASN A 88 -2.259 3.142 9.611 1.00 0.00 C ATOM 1422 C ASN A 88 -2.130 3.414 8.116 1.00 0.00 C ATOM 1423 O ASN A 88 -1.283 4.195 7.686 1.00 0.00 O ATOM 1424 CB ASN A 88 -3.112 4.233 10.263 1.00 0.00 C ATOM 1425 CG ASN A 88 -3.226 4.061 11.765 1.00 0.00 C ATOM 1426 OD1 ASN A 88 -2.219 3.980 12.469 1.00 0.00 O ATOM 1427 ND2 ASN A 88 -4.455 4.003 12.262 1.00 0.00 N ATOM 0 H ASN A 88 -0.497 3.985 10.370 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.744 2.175 9.743 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -2.678 5.209 10.044 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.109 4.222 9.823 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.594 3.887 13.266 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -5.260 4.075 11.640 1.00 0.00 H new ATOM 1434 N PHE A 89 -2.986 2.767 7.328 1.00 0.00 N ATOM 1435 CA PHE A 89 -2.976 2.943 5.881 1.00 0.00 C ATOM 1436 C PHE A 89 -4.106 3.865 5.443 1.00 0.00 C ATOM 1437 O PHE A 89 -5.263 3.685 5.843 1.00 0.00 O ATOM 1438 CB PHE A 89 -3.096 1.596 5.165 1.00 0.00 C ATOM 1439 CG PHE A 89 -2.082 0.583 5.615 1.00 0.00 C ATOM 1440 CD1 PHE A 89 -2.266 -0.115 6.793 1.00 0.00 C ATOM 1441 CD2 PHE A 89 -0.950 0.329 4.858 1.00 0.00 C ATOM 1442 CE1 PHE A 89 -1.346 -1.048 7.214 1.00 0.00 C ATOM 1443 CE2 PHE A 89 -0.020 -0.606 5.273 1.00 0.00 C ATOM 1444 CZ PHE A 89 -0.220 -1.296 6.454 1.00 0.00 C ATOM 0 H PHE A 89 -3.694 2.117 7.669 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.024 3.398 5.608 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.096 1.194 5.329 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.988 1.754 4.092 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.144 0.074 7.392 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.792 0.867 3.935 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.504 -1.585 8.137 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.860 -0.797 4.676 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.503 -2.028 6.782 1.00 0.00 H new ATOM 1454 N ALA A 90 -3.755 4.854 4.623 1.00 0.00 N ATOM 1455 CA ALA A 90 -4.719 5.824 4.126 1.00 0.00 C ATOM 1456 C ALA A 90 -4.357 6.306 2.725 1.00 0.00 C ATOM 1457 O ALA A 90 -3.278 6.008 2.212 1.00 0.00 O ATOM 1458 CB ALA A 90 -4.796 7.010 5.076 1.00 0.00 C ATOM 0 H ALA A 90 -2.803 5.002 4.289 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.691 5.333 4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.519 7.732 4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.108 6.666 6.062 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.816 7.482 5.149 1.00 0.00 H new ATOM 1464 N ILE A 91 -5.263 7.067 2.123 1.00 0.00 N ATOM 1465 CA ILE A 91 -5.047 7.614 0.789 1.00 0.00 C ATOM 1466 C ILE A 91 -4.966 9.134 0.846 1.00 0.00 C ATOM 1467 O ILE A 91 -5.867 9.792 1.373 1.00 0.00 O ATOM 1468 CB ILE A 91 -6.166 7.204 -0.193 1.00 0.00 C ATOM 1469 CG1 ILE A 91 -7.512 7.108 0.528 1.00 0.00 C ATOM 1470 CG2 ILE A 91 -5.822 5.882 -0.863 1.00 0.00 C ATOM 1471 CD1 ILE A 91 -8.699 7.373 -0.370 1.00 0.00 C ATOM 0 H ILE A 91 -6.159 7.320 2.540 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.105 7.204 0.425 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.248 7.972 -0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.611 6.114 0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.525 7.820 1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.620 5.605 -1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.887 5.985 -1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.713 5.107 -0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.619 7.288 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.623 8.378 -0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.712 6.645 -1.181 1.00 0.00 H new ATOM 1483 N VAL A 92 -3.877 9.683 0.312 1.00 0.00 N ATOM 1484 CA VAL A 92 -3.666 11.128 0.311 1.00 0.00 C ATOM 1485 C VAL A 92 -3.193 11.619 -1.055 1.00 0.00 C ATOM 1486 O VAL A 92 -2.734 10.833 -1.881 1.00 0.00 O ATOM 1487 CB VAL A 92 -2.633 11.540 1.383 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -1.249 11.021 1.024 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -2.616 13.050 1.560 1.00 0.00 C ATOM 0 H VAL A 92 -3.127 9.148 -0.126 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.626 11.590 0.541 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.927 11.091 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.537 11.322 1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.274 9.933 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.943 11.435 0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.882 13.319 2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.351 13.524 0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.603 13.391 1.873 1.00 0.00 H new ATOM 1673 N VAL A 103 -8.433 13.085 2.208 1.00 0.00 N ATOM 1674 CA VAL A 103 -7.592 11.996 2.688 1.00 0.00 C ATOM 1675 C VAL A 103 -8.284 11.234 3.814 1.00 0.00 C ATOM 1676 O VAL A 103 -8.888 11.835 4.703 1.00 0.00 O ATOM 1677 CB VAL A 103 -6.227 12.518 3.187 1.00 0.00 C ATOM 1678 CG1 VAL A 103 -6.422 13.554 4.284 1.00 0.00 C ATOM 1679 CG2 VAL A 103 -5.349 11.374 3.674 1.00 0.00 C ATOM 0 HA VAL A 103 -7.423 11.323 1.847 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.719 12.995 2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.450 13.911 4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.001 14.392 3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -6.955 13.102 5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.394 11.770 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.846 10.858 4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.177 10.674 2.856 1.00 0.00 H new ATOM 1689 N LYS A 104 -8.194 9.909 3.769 1.00 0.00 N ATOM 1690 CA LYS A 104 -8.817 9.068 4.791 1.00 0.00 C ATOM 1691 C LYS A 104 -8.163 7.692 4.844 1.00 0.00 C ATOM 1692 O LYS A 104 -7.639 7.205 3.842 1.00 0.00 O ATOM 1693 CB LYS A 104 -10.316 8.926 4.520 1.00 0.00 C ATOM 1694 CG LYS A 104 -10.638 8.432 3.120 1.00 0.00 C ATOM 1695 CD LYS A 104 -12.133 8.241 2.927 1.00 0.00 C ATOM 1696 CE LYS A 104 -12.670 7.122 3.807 1.00 0.00 C ATOM 1697 NZ LYS A 104 -13.652 6.266 3.083 1.00 0.00 N ATOM 0 H LYS A 104 -7.699 9.394 3.041 1.00 0.00 H new ATOM 0 HA LYS A 104 -8.673 9.551 5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.744 8.236 5.247 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.798 9.891 4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.264 9.146 2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.123 7.489 2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.653 9.170 3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.340 8.014 1.881 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.841 6.507 4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.144 7.551 4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -13.993 5.516 3.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -14.456 6.848 2.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.193 5.836 2.255 1.00 0.00 H new ATOM 1711 N GLU A 105 -8.195 7.067 6.020 1.00 0.00 N ATOM 1712 CA GLU A 105 -7.598 5.747 6.197 1.00 0.00 C ATOM 1713 C GLU A 105 -8.602 4.639 5.908 1.00 0.00 C ATOM 1714 O GLU A 105 -9.813 4.859 5.917 1.00 0.00 O ATOM 1715 CB GLU A 105 -7.052 5.575 7.614 1.00 0.00 C ATOM 1716 CG GLU A 105 -6.007 6.604 8.005 1.00 0.00 C ATOM 1717 CD GLU A 105 -6.126 7.025 9.456 1.00 0.00 C ATOM 1718 OE1 GLU A 105 -5.869 6.184 10.342 1.00 0.00 O ATOM 1719 OE2 GLU A 105 -6.480 8.197 9.707 1.00 0.00 O ATOM 0 H GLU A 105 -8.626 7.452 6.860 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.776 5.673 5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.881 5.628 8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.618 4.579 7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -5.013 6.193 7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.107 7.481 7.366 1.00 0.00 H new ATOM 1726 N ILE A 106 -8.080 3.444 5.664 1.00 0.00 N ATOM 1727 CA ILE A 106 -8.912 2.282 5.382 1.00 0.00 C ATOM 1728 C ILE A 106 -8.630 1.154 6.370 1.00 0.00 C ATOM 1729 O ILE A 106 -9.472 0.282 6.587 1.00 0.00 O ATOM 1730 CB ILE A 106 -8.702 1.759 3.945 1.00 0.00 C ATOM 1731 CG1 ILE A 106 -7.223 1.820 3.552 1.00 0.00 C ATOM 1732 CG2 ILE A 106 -9.552 2.555 2.963 1.00 0.00 C ATOM 1733 CD1 ILE A 106 -6.385 0.728 4.179 1.00 0.00 C ATOM 0 H ILE A 106 -7.078 3.254 5.656 1.00 0.00 H new ATOM 0 HA ILE A 106 -9.947 2.607 5.486 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.016 0.716 3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.141 1.752 2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.818 2.789 3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -9.394 2.175 1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.605 2.454 3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.267 3.606 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.349 0.834 3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.437 0.808 5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.764 -0.245 3.868 1.00 0.00 H new ATOM 1745 N GLY A 107 -7.440 1.175 6.970 1.00 0.00 N ATOM 1746 CA GLY A 107 -7.076 0.148 7.930 1.00 0.00 C ATOM 1747 C GLY A 107 -5.649 0.304 8.407 1.00 0.00 C ATOM 1748 O GLY A 107 -4.813 0.833 7.683 1.00 0.00 O ATOM 0 H GLY A 107 -6.724 1.884 6.808 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.752 0.193 8.784 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.202 -0.835 7.476 1.00 0.00 H new ATOM 1752 N SER A 108 -5.371 -0.140 9.630 1.00 0.00 N ATOM 1753 CA SER A 108 -4.034 -0.027 10.201 1.00 0.00 C ATOM 1754 C SER A 108 -3.504 -1.384 10.661 1.00 0.00 C ATOM 1755 O SER A 108 -4.228 -2.172 11.265 1.00 0.00 O ATOM 1756 CB SER A 108 -4.056 0.944 11.383 1.00 0.00 C ATOM 1757 OG SER A 108 -2.823 0.935 12.078 1.00 0.00 O ATOM 0 H SER A 108 -6.055 -0.582 10.244 1.00 0.00 H new ATOM 0 HA SER A 108 -3.369 0.350 9.424 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.267 1.952 11.025 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.862 0.673 12.065 1.00 0.00 H new ATOM 0 HG SER A 108 -2.134 0.523 11.516 1.00 0.00 H new ATOM 1763 N THR A 109 -2.228 -1.639 10.382 1.00 0.00 N ATOM 1764 CA THR A 109 -1.590 -2.893 10.775 1.00 0.00 C ATOM 1765 C THR A 109 -0.563 -2.648 11.876 1.00 0.00 C ATOM 1766 O THR A 109 -0.511 -1.564 12.457 1.00 0.00 O ATOM 1767 CB THR A 109 -0.925 -3.564 9.573 1.00 0.00 C ATOM 1768 OG1 THR A 109 0.045 -2.713 8.991 1.00 0.00 O ATOM 1769 CG2 THR A 109 -1.903 -3.954 8.491 1.00 0.00 C ATOM 0 H THR A 109 -1.615 -0.993 9.885 1.00 0.00 H new ATOM 0 HA THR A 109 -2.362 -3.560 11.158 1.00 0.00 H new ATOM 0 HB THR A 109 -0.465 -4.469 9.969 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.646 -2.378 9.688 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.366 -4.425 7.668 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.633 -4.655 8.896 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.417 -3.064 8.127 1.00 0.00 H new ATOM 1777 N MET A 110 0.249 -3.659 12.164 1.00 0.00 N ATOM 1778 CA MET A 110 1.264 -3.541 13.202 1.00 0.00 C ATOM 1779 C MET A 110 2.443 -4.467 12.929 1.00 0.00 C ATOM 1780 O MET A 110 2.311 -5.469 12.224 1.00 0.00 O ATOM 1781 CB MET A 110 0.658 -3.856 14.567 1.00 0.00 C ATOM 1782 CG MET A 110 -0.205 -2.736 15.125 1.00 0.00 C ATOM 1783 SD MET A 110 0.028 -2.503 16.895 1.00 0.00 S ATOM 1784 CE MET A 110 1.794 -2.206 16.962 1.00 0.00 C ATOM 0 H MET A 110 0.224 -4.565 11.696 1.00 0.00 H new ATOM 0 HA MET A 110 1.631 -2.515 13.199 1.00 0.00 H new ATOM 0 HB2 MET A 110 0.056 -4.761 14.487 1.00 0.00 H new ATOM 0 HB3 MET A 110 1.462 -4.069 15.271 1.00 0.00 H new ATOM 0 HG2 MET A 110 0.030 -1.807 14.605 1.00 0.00 H new ATOM 0 HG3 MET A 110 -1.254 -2.956 14.926 1.00 0.00 H new ATOM 0 HE1 MET A 110 2.102 -2.078 18.000 1.00 0.00 H new ATOM 0 HE2 MET A 110 2.322 -3.055 16.529 1.00 0.00 H new ATOM 0 HE3 MET A 110 2.033 -1.304 16.399 1.00 0.00 H new ATOM 1794 N SER A 111 3.600 -4.118 13.485 1.00 0.00 N ATOM 1795 CA SER A 111 4.811 -4.906 13.299 1.00 0.00 C ATOM 1796 C SER A 111 4.769 -6.194 14.118 1.00 0.00 C ATOM 1797 O SER A 111 5.420 -6.301 15.157 1.00 0.00 O ATOM 1798 CB SER A 111 6.041 -4.084 13.689 1.00 0.00 C ATOM 1799 OG SER A 111 7.226 -4.659 13.167 1.00 0.00 O ATOM 0 H SER A 111 3.723 -3.291 14.070 1.00 0.00 H new ATOM 0 HA SER A 111 4.874 -5.175 12.245 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.934 -3.065 13.318 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.111 -4.022 14.775 1.00 0.00 H new ATOM 0 HG SER A 111 7.802 -3.952 12.808 1.00 0.00 H new ATOM 1805 N GLY A 112 4.008 -7.174 13.638 1.00 0.00 N ATOM 1806 CA GLY A 112 3.911 -8.444 14.337 1.00 0.00 C ATOM 1807 C GLY A 112 2.634 -8.580 15.147 1.00 0.00 C ATOM 1808 O GLY A 112 2.582 -9.357 16.100 1.00 0.00 O ATOM 0 H GLY A 112 3.459 -7.112 12.781 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.963 -9.256 13.612 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.769 -8.554 15.000 1.00 0.00 H new ATOM 1812 N ARG A 113 1.605 -7.829 14.772 1.00 0.00 N ATOM 1813 CA ARG A 113 0.329 -7.881 15.478 1.00 0.00 C ATOM 1814 C ARG A 113 -0.826 -8.042 14.494 1.00 0.00 C ATOM 1815 O ARG A 113 -1.098 -7.151 13.689 1.00 0.00 O ATOM 1816 CB ARG A 113 0.136 -6.619 16.320 1.00 0.00 C ATOM 1817 CG ARG A 113 0.494 -6.805 17.787 1.00 0.00 C ATOM 1818 CD ARG A 113 1.554 -5.809 18.232 1.00 0.00 C ATOM 1819 NE ARG A 113 1.780 -5.855 19.674 1.00 0.00 N ATOM 1820 CZ ARG A 113 1.007 -5.239 20.567 1.00 0.00 C ATOM 1821 NH1 ARG A 113 -0.049 -4.539 20.171 1.00 0.00 N ATOM 1822 NH2 ARG A 113 1.290 -5.326 21.859 1.00 0.00 N ATOM 0 H ARG A 113 1.628 -7.179 13.986 1.00 0.00 H new ATOM 0 HA ARG A 113 0.339 -8.747 16.140 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.747 -5.818 15.904 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.903 -6.298 16.246 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.400 -6.685 18.399 1.00 0.00 H new ATOM 0 HG3 ARG A 113 0.856 -7.820 17.948 1.00 0.00 H new ATOM 0 HD2 ARG A 113 2.489 -6.019 17.712 1.00 0.00 H new ATOM 0 HD3 ARG A 113 1.248 -4.803 17.945 1.00 0.00 H new ATOM 0 HE ARG A 113 2.577 -6.391 20.018 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -0.272 -4.471 19.178 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -0.637 -4.070 20.860 1.00 0.00 H new ATOM 0 HH21 ARG A 113 2.099 -5.864 22.169 1.00 0.00 H new ATOM 0 HH22 ARG A 113 0.699 -4.855 22.543 1.00 0.00 H new ATOM 1836 N LYS A 114 -1.495 -9.189 14.561 1.00 0.00 N ATOM 1837 CA LYS A 114 -2.615 -9.476 13.674 1.00 0.00 C ATOM 1838 C LYS A 114 -3.827 -8.614 14.016 1.00 0.00 C ATOM 1839 O LYS A 114 -4.517 -8.860 15.005 1.00 0.00 O ATOM 1840 CB LYS A 114 -2.988 -10.957 13.755 1.00 0.00 C ATOM 1841 CG LYS A 114 -3.751 -11.462 12.540 1.00 0.00 C ATOM 1842 CD LYS A 114 -4.738 -12.554 12.916 1.00 0.00 C ATOM 1843 CE LYS A 114 -6.135 -11.993 13.127 1.00 0.00 C ATOM 1844 NZ LYS A 114 -6.999 -12.185 11.930 1.00 0.00 N ATOM 0 H LYS A 114 -1.280 -9.935 15.222 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.305 -9.239 12.656 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -2.078 -11.546 13.872 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.592 -11.122 14.647 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.284 -10.633 12.074 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.047 -11.845 11.801 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.763 -13.310 12.131 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -4.403 -13.051 13.826 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.595 -12.479 13.988 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.068 -10.930 13.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.942 -11.789 12.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.574 -11.700 11.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.085 -13.201 11.723 1.00 0.00 H new ATOM 1858 N GLY A 115 -4.088 -7.610 13.184 1.00 0.00 N ATOM 1859 CA GLY A 115 -5.225 -6.732 13.407 1.00 0.00 C ATOM 1860 C GLY A 115 -6.460 -7.198 12.657 1.00 0.00 C ATOM 1861 O GLY A 115 -6.481 -8.313 12.138 1.00 0.00 O ATOM 0 H GLY A 115 -3.532 -7.388 12.358 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.444 -6.687 14.474 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -4.969 -5.721 13.091 1.00 0.00 H new ATOM 1865 N THR A 116 -7.486 -6.351 12.594 1.00 0.00 N ATOM 1866 CA THR A 116 -8.716 -6.698 11.896 1.00 0.00 C ATOM 1867 C THR A 116 -8.612 -6.353 10.414 1.00 0.00 C ATOM 1868 O THR A 116 -9.184 -7.036 9.565 1.00 0.00 O ATOM 1869 CB THR A 116 -9.900 -5.963 12.524 1.00 0.00 C ATOM 1870 OG1 THR A 116 -9.588 -4.595 12.720 1.00 0.00 O ATOM 1871 CG2 THR A 116 -10.320 -6.534 13.861 1.00 0.00 C ATOM 0 H THR A 116 -7.487 -5.423 13.017 1.00 0.00 H new ATOM 0 HA THR A 116 -8.873 -7.773 11.989 1.00 0.00 H new ATOM 0 HB THR A 116 -10.724 -6.086 11.822 1.00 0.00 H new ATOM 0 HG1 THR A 116 -10.357 -4.138 13.121 1.00 0.00 H new ATOM 0 HG21 THR A 116 -11.165 -5.966 14.250 1.00 0.00 H new ATOM 0 HG22 THR A 116 -10.611 -7.577 13.736 1.00 0.00 H new ATOM 0 HG23 THR A 116 -9.487 -6.471 14.561 1.00 0.00 H new ATOM 1879 N ASP A 117 -7.882 -5.283 10.113 1.00 0.00 N ATOM 1880 CA ASP A 117 -7.706 -4.839 8.734 1.00 0.00 C ATOM 1881 C ASP A 117 -6.684 -5.702 8.003 1.00 0.00 C ATOM 1882 O ASP A 117 -6.674 -5.762 6.775 1.00 0.00 O ATOM 1883 CB ASP A 117 -7.268 -3.373 8.701 1.00 0.00 C ATOM 1884 CG ASP A 117 -8.278 -2.450 9.355 1.00 0.00 C ATOM 1885 OD1 ASP A 117 -8.365 -2.452 10.601 1.00 0.00 O ATOM 1886 OD2 ASP A 117 -8.982 -1.725 8.620 1.00 0.00 O ATOM 0 H ASP A 117 -7.403 -4.707 10.805 1.00 0.00 H new ATOM 0 HA ASP A 117 -8.665 -4.939 8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.308 -3.273 9.207 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.117 -3.066 7.666 1.00 0.00 H new ATOM 1891 N ASP A 118 -5.818 -6.369 8.766 1.00 0.00 N ATOM 1892 CA ASP A 118 -4.786 -7.228 8.193 1.00 0.00 C ATOM 1893 C ASP A 118 -5.365 -8.180 7.147 1.00 0.00 C ATOM 1894 O ASP A 118 -4.718 -8.482 6.144 1.00 0.00 O ATOM 1895 CB ASP A 118 -4.097 -8.031 9.297 1.00 0.00 C ATOM 1896 CG ASP A 118 -2.611 -8.203 9.048 1.00 0.00 C ATOM 1897 OD1 ASP A 118 -1.891 -7.184 9.027 1.00 0.00 O ATOM 1898 OD2 ASP A 118 -2.168 -9.358 8.876 1.00 0.00 O ATOM 0 H ASP A 118 -5.812 -6.330 9.785 1.00 0.00 H new ATOM 0 HA ASP A 118 -4.057 -6.586 7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.246 -7.530 10.253 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.565 -9.012 9.374 1.00 0.00 H new ATOM 1903 N SER A 119 -6.582 -8.655 7.391 1.00 0.00 N ATOM 1904 CA SER A 119 -7.241 -9.578 6.472 1.00 0.00 C ATOM 1905 C SER A 119 -7.829 -8.848 5.263 1.00 0.00 C ATOM 1906 O SER A 119 -8.228 -9.479 4.285 1.00 0.00 O ATOM 1907 CB SER A 119 -8.342 -10.352 7.198 1.00 0.00 C ATOM 1908 OG SER A 119 -8.500 -11.649 6.652 1.00 0.00 O ATOM 0 H SER A 119 -7.132 -8.417 8.216 1.00 0.00 H new ATOM 0 HA SER A 119 -6.486 -10.276 6.109 1.00 0.00 H new ATOM 0 HB2 SER A 119 -8.099 -10.428 8.258 1.00 0.00 H new ATOM 0 HB3 SER A 119 -9.283 -9.806 7.125 1.00 0.00 H new ATOM 0 HG SER A 119 -9.209 -12.123 7.135 1.00 0.00 H new ATOM 1914 N MET A 120 -7.878 -7.521 5.331 1.00 0.00 N ATOM 1915 CA MET A 120 -8.413 -6.722 4.235 1.00 0.00 C ATOM 1916 C MET A 120 -7.371 -6.557 3.134 1.00 0.00 C ATOM 1917 O MET A 120 -6.179 -6.732 3.371 1.00 0.00 O ATOM 1918 CB MET A 120 -8.857 -5.350 4.744 1.00 0.00 C ATOM 1919 CG MET A 120 -10.121 -4.833 4.078 1.00 0.00 C ATOM 1920 SD MET A 120 -11.145 -3.853 5.192 1.00 0.00 S ATOM 1921 CE MET A 120 -9.946 -2.676 5.813 1.00 0.00 C ATOM 0 H MET A 120 -7.554 -6.978 6.132 1.00 0.00 H new ATOM 0 HA MET A 120 -9.277 -7.242 3.823 1.00 0.00 H new ATOM 0 HB2 MET A 120 -9.021 -5.407 5.820 1.00 0.00 H new ATOM 0 HB3 MET A 120 -8.052 -4.634 4.581 1.00 0.00 H new ATOM 0 HG2 MET A 120 -9.849 -4.227 3.214 1.00 0.00 H new ATOM 0 HG3 MET A 120 -10.702 -5.677 3.706 1.00 0.00 H new ATOM 0 HE1 MET A 120 -10.091 -2.540 6.885 1.00 0.00 H new ATOM 0 HE2 MET A 120 -8.939 -3.050 5.628 1.00 0.00 H new ATOM 0 HE3 MET A 120 -10.077 -1.721 5.305 1.00 0.00 H new ATOM 1931 N THR A 121 -7.828 -6.221 1.932 1.00 0.00 N ATOM 1932 CA THR A 121 -6.929 -6.037 0.797 1.00 0.00 C ATOM 1933 C THR A 121 -6.874 -4.575 0.369 1.00 0.00 C ATOM 1934 O THR A 121 -7.788 -3.801 0.651 1.00 0.00 O ATOM 1935 CB THR A 121 -7.374 -6.909 -0.379 1.00 0.00 C ATOM 1936 OG1 THR A 121 -8.787 -6.949 -0.466 1.00 0.00 O ATOM 1937 CG2 THR A 121 -6.879 -8.337 -0.286 1.00 0.00 C ATOM 0 H THR A 121 -8.814 -6.071 1.718 1.00 0.00 H new ATOM 0 HA THR A 121 -5.929 -6.339 1.109 1.00 0.00 H new ATOM 0 HB THR A 121 -6.936 -6.447 -1.264 1.00 0.00 H new ATOM 0 HG1 THR A 121 -9.052 -7.510 -1.225 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.230 -8.901 -1.150 1.00 0.00 H new ATOM 0 HG22 THR A 121 -5.789 -8.344 -0.266 1.00 0.00 H new ATOM 0 HG23 THR A 121 -7.261 -8.796 0.626 1.00 0.00 H new ATOM 1945 N LEU A 122 -5.796 -4.203 -0.317 1.00 0.00 N ATOM 1946 CA LEU A 122 -5.622 -2.834 -0.787 1.00 0.00 C ATOM 1947 C LEU A 122 -6.704 -2.467 -1.800 1.00 0.00 C ATOM 1948 O LEU A 122 -7.345 -1.425 -1.689 1.00 0.00 O ATOM 1949 CB LEU A 122 -4.235 -2.657 -1.412 1.00 0.00 C ATOM 1950 CG LEU A 122 -3.387 -1.537 -0.806 1.00 0.00 C ATOM 1951 CD1 LEU A 122 -2.011 -1.506 -1.450 1.00 0.00 C ATOM 1952 CD2 LEU A 122 -4.084 -0.194 -0.963 1.00 0.00 C ATOM 0 H LEU A 122 -5.030 -4.832 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 122 -5.711 -2.167 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.689 -3.596 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.356 -2.464 -2.478 1.00 0.00 H new ATOM 0 HG LEU A 122 -3.264 -1.734 0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -1.420 -0.704 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -1.510 -2.460 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.114 -1.332 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.466 0.590 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.239 0.014 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.047 -0.222 -0.454 1.00 0.00 H new ATOM 1964 N GLN A 123 -6.896 -3.333 -2.789 1.00 0.00 N ATOM 1965 CA GLN A 123 -7.897 -3.106 -3.831 1.00 0.00 C ATOM 1966 C GLN A 123 -9.242 -2.688 -3.236 1.00 0.00 C ATOM 1967 O GLN A 123 -9.971 -1.891 -3.826 1.00 0.00 O ATOM 1968 CB GLN A 123 -8.077 -4.370 -4.676 1.00 0.00 C ATOM 1969 CG GLN A 123 -8.433 -5.602 -3.860 1.00 0.00 C ATOM 1970 CD GLN A 123 -9.086 -6.685 -4.695 1.00 0.00 C ATOM 1971 OE1 GLN A 123 -9.636 -6.416 -5.763 1.00 0.00 O ATOM 1972 NE2 GLN A 123 -9.028 -7.921 -4.211 1.00 0.00 N ATOM 0 H GLN A 123 -6.371 -4.201 -2.893 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.538 -2.293 -4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -8.860 -4.195 -5.414 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -7.156 -4.563 -5.227 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.530 -6.000 -3.397 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -9.106 -5.316 -3.052 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -8.562 -8.099 -3.321 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -9.450 -8.692 -4.729 1.00 0.00 H new ATOM 1981 N SER A 124 -9.564 -3.229 -2.067 1.00 0.00 N ATOM 1982 CA SER A 124 -10.821 -2.911 -1.396 1.00 0.00 C ATOM 1983 C SER A 124 -10.842 -1.461 -0.911 1.00 0.00 C ATOM 1984 O SER A 124 -11.899 -0.923 -0.585 1.00 0.00 O ATOM 1985 CB SER A 124 -11.050 -3.861 -0.218 1.00 0.00 C ATOM 1986 OG SER A 124 -12.130 -4.741 -0.473 1.00 0.00 O ATOM 0 H SER A 124 -8.973 -3.890 -1.563 1.00 0.00 H new ATOM 0 HA SER A 124 -11.626 -3.038 -2.120 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.144 -4.437 -0.031 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.253 -3.284 0.684 1.00 0.00 H new ATOM 0 HG SER A 124 -12.254 -5.338 0.294 1.00 0.00 H new ATOM 1992 N GLN A 125 -9.669 -0.834 -0.868 1.00 0.00 N ATOM 1993 CA GLN A 125 -9.560 0.552 -0.423 1.00 0.00 C ATOM 1994 C GLN A 125 -9.627 1.514 -1.606 1.00 0.00 C ATOM 1995 O GLN A 125 -9.152 2.646 -1.523 1.00 0.00 O ATOM 1996 CB GLN A 125 -8.251 0.768 0.341 1.00 0.00 C ATOM 1997 CG GLN A 125 -7.817 -0.427 1.175 1.00 0.00 C ATOM 1998 CD GLN A 125 -8.915 -0.935 2.086 1.00 0.00 C ATOM 1999 OE1 GLN A 125 -10.021 -0.394 2.108 1.00 0.00 O ATOM 2000 NE2 GLN A 125 -8.614 -1.980 2.849 1.00 0.00 N ATOM 0 H GLN A 125 -8.783 -1.263 -1.135 1.00 0.00 H new ATOM 0 HA GLN A 125 -10.401 0.755 0.240 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.462 1.007 -0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -8.362 1.633 0.995 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.500 -1.232 0.512 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -6.951 -0.150 1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -7.685 -2.397 2.799 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -9.312 -2.365 3.485 1.00 0.00 H new ATOM 2009 N LYS A 126 -10.217 1.059 -2.707 1.00 0.00 N ATOM 2010 CA LYS A 126 -10.341 1.883 -3.902 1.00 0.00 C ATOM 2011 C LYS A 126 -8.970 2.307 -4.423 1.00 0.00 C ATOM 2012 O LYS A 126 -8.845 3.320 -5.112 1.00 0.00 O ATOM 2013 CB LYS A 126 -11.193 3.119 -3.608 1.00 0.00 C ATOM 2014 CG LYS A 126 -12.558 2.794 -3.024 1.00 0.00 C ATOM 2015 CD LYS A 126 -13.002 3.850 -2.024 1.00 0.00 C ATOM 2016 CE LYS A 126 -12.303 3.678 -0.686 1.00 0.00 C ATOM 2017 NZ LYS A 126 -12.181 4.967 0.049 1.00 0.00 N ATOM 0 H LYS A 126 -10.616 0.125 -2.795 1.00 0.00 H new ATOM 0 HA LYS A 126 -10.830 1.286 -4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -10.655 3.764 -2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -11.327 3.685 -4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -13.291 2.721 -3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -12.523 1.820 -2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -12.789 4.842 -2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -14.081 3.788 -1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -12.857 2.964 -0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -11.311 3.257 -0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -11.699 4.805 0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -11.630 5.641 -0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -13.129 5.357 0.226 1.00 0.00 H new ATOM 2031 N PHE A 127 -7.944 1.527 -4.092 1.00 0.00 N ATOM 2032 CA PHE A 127 -6.587 1.827 -4.530 1.00 0.00 C ATOM 2033 C PHE A 127 -6.300 1.187 -5.886 1.00 0.00 C ATOM 2034 O PHE A 127 -6.918 0.190 -6.257 1.00 0.00 O ATOM 2035 CB PHE A 127 -5.575 1.332 -3.495 1.00 0.00 C ATOM 2036 CG PHE A 127 -4.255 2.040 -3.571 1.00 0.00 C ATOM 2037 CD1 PHE A 127 -4.041 3.212 -2.866 1.00 0.00 C ATOM 2038 CD2 PHE A 127 -3.231 1.534 -4.352 1.00 0.00 C ATOM 2039 CE1 PHE A 127 -2.828 3.868 -2.940 1.00 0.00 C ATOM 2040 CE2 PHE A 127 -2.015 2.183 -4.429 1.00 0.00 C ATOM 2041 CZ PHE A 127 -1.812 3.352 -3.724 1.00 0.00 C ATOM 0 H PHE A 127 -8.028 0.685 -3.523 1.00 0.00 H new ATOM 0 HA PHE A 127 -6.494 2.908 -4.631 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -5.993 1.463 -2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -5.415 0.263 -3.636 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -4.831 3.618 -2.252 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.385 0.621 -4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -2.673 4.782 -2.387 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.223 1.776 -5.040 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.862 3.863 -3.784 1.00 0.00 H new ATOM 2051 N GLN A 128 -5.360 1.772 -6.622 1.00 0.00 N ATOM 2052 CA GLN A 128 -4.991 1.260 -7.938 1.00 0.00 C ATOM 2053 C GLN A 128 -3.508 1.487 -8.218 1.00 0.00 C ATOM 2054 O GLN A 128 -2.775 1.983 -7.363 1.00 0.00 O ATOM 2055 CB GLN A 128 -5.839 1.931 -9.022 1.00 0.00 C ATOM 2056 CG GLN A 128 -7.246 1.370 -9.126 1.00 0.00 C ATOM 2057 CD GLN A 128 -8.281 2.264 -8.472 1.00 0.00 C ATOM 2058 OE1 GLN A 128 -8.810 1.946 -7.407 1.00 0.00 O ATOM 2059 NE2 GLN A 128 -8.575 3.392 -9.109 1.00 0.00 N ATOM 0 H GLN A 128 -4.840 2.600 -6.330 1.00 0.00 H new ATOM 0 HA GLN A 128 -5.180 0.187 -7.950 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -5.897 3.000 -8.817 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -5.340 1.818 -9.984 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -7.502 1.233 -10.177 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -7.276 0.385 -8.660 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -8.112 3.616 -9.990 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -9.264 4.034 -8.717 1.00 0.00 H new ATOM 2068 N ILE A 129 -3.072 1.118 -9.417 1.00 0.00 N ATOM 2069 CA ILE A 129 -1.676 1.280 -9.806 1.00 0.00 C ATOM 2070 C ILE A 129 -1.330 2.751 -10.023 1.00 0.00 C ATOM 2071 O ILE A 129 -2.020 3.459 -10.754 1.00 0.00 O ATOM 2072 CB ILE A 129 -1.355 0.495 -11.092 1.00 0.00 C ATOM 2073 CG1 ILE A 129 -1.839 -0.951 -10.968 1.00 0.00 C ATOM 2074 CG2 ILE A 129 0.140 0.533 -11.380 1.00 0.00 C ATOM 2075 CD1 ILE A 129 -1.625 -1.771 -12.221 1.00 0.00 C ATOM 0 H ILE A 129 -3.665 0.705 -10.137 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.074 0.885 -8.988 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.878 0.965 -11.924 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.319 -1.429 -10.138 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -2.901 -0.950 -10.721 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.349 -0.026 -12.292 1.00 0.00 H new ATOM 0 HG22 ILE A 129 0.460 1.567 -11.507 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.682 0.085 -10.547 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -1.992 -2.785 -12.060 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -2.167 -1.317 -13.050 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -0.561 -1.803 -12.457 1.00 0.00 H new ATOM 2087 N GLY A 130 -0.253 3.200 -9.384 1.00 0.00 N ATOM 2088 CA GLY A 130 0.170 4.581 -9.524 1.00 0.00 C ATOM 2089 C GLY A 130 -0.490 5.510 -8.519 1.00 0.00 C ATOM 2090 O GLY A 130 -0.201 6.705 -8.490 1.00 0.00 O ATOM 0 H GLY A 130 0.333 2.632 -8.772 1.00 0.00 H new ATOM 0 HA2 GLY A 130 1.252 4.637 -9.406 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -0.059 4.925 -10.533 1.00 0.00 H new ATOM 2094 N ASP A 131 -1.389 4.966 -7.700 1.00 0.00 N ATOM 2095 CA ASP A 131 -2.088 5.765 -6.699 1.00 0.00 C ATOM 2096 C ASP A 131 -1.136 6.214 -5.595 1.00 0.00 C ATOM 2097 O ASP A 131 0.054 5.902 -5.621 1.00 0.00 O ATOM 2098 CB ASP A 131 -3.255 4.976 -6.104 1.00 0.00 C ATOM 2099 CG ASP A 131 -4.600 5.532 -6.523 1.00 0.00 C ATOM 2100 OD1 ASP A 131 -4.850 5.621 -7.744 1.00 0.00 O ATOM 2101 OD2 ASP A 131 -5.403 5.883 -5.634 1.00 0.00 O ATOM 0 H ASP A 131 -1.649 3.980 -7.711 1.00 0.00 H new ATOM 0 HA ASP A 131 -2.481 6.654 -7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.182 3.934 -6.416 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -3.182 4.989 -5.017 1.00 0.00 H new ATOM 2106 N TYR A 132 -1.666 6.964 -4.631 1.00 0.00 N ATOM 2107 CA TYR A 132 -0.856 7.470 -3.527 1.00 0.00 C ATOM 2108 C TYR A 132 -1.329 6.925 -2.181 1.00 0.00 C ATOM 2109 O TYR A 132 -2.340 7.373 -1.632 1.00 0.00 O ATOM 2110 CB TYR A 132 -0.880 9.004 -3.505 1.00 0.00 C ATOM 2111 CG TYR A 132 -1.546 9.630 -4.714 1.00 0.00 C ATOM 2112 CD1 TYR A 132 -0.843 9.818 -5.897 1.00 0.00 C ATOM 2113 CD2 TYR A 132 -2.877 10.028 -4.670 1.00 0.00 C ATOM 2114 CE1 TYR A 132 -1.446 10.390 -7.002 1.00 0.00 C ATOM 2115 CE2 TYR A 132 -3.487 10.599 -5.771 1.00 0.00 C ATOM 2116 CZ TYR A 132 -2.767 10.779 -6.934 1.00 0.00 C ATOM 2117 OH TYR A 132 -3.372 11.348 -8.032 1.00 0.00 O ATOM 0 H TYR A 132 -2.649 7.234 -4.593 1.00 0.00 H new ATOM 0 HA TYR A 132 0.166 7.126 -3.689 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.399 9.336 -2.606 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.144 9.372 -3.437 1.00 0.00 H new ATOM 0 HD1 TYR A 132 0.191 9.512 -5.955 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -3.444 9.889 -3.761 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -0.885 10.531 -7.914 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -4.522 10.903 -5.721 1.00 0.00 H new ATOM 0 HH TYR A 132 -4.304 11.563 -7.817 1.00 0.00 H new ATOM 2127 N LEU A 133 -0.574 5.969 -1.647 1.00 0.00 N ATOM 2128 CA LEU A 133 -0.887 5.362 -0.357 1.00 0.00 C ATOM 2129 C LEU A 133 0.041 5.920 0.722 1.00 0.00 C ATOM 2130 O LEU A 133 1.255 5.758 0.637 1.00 0.00 O ATOM 2131 CB LEU A 133 -0.730 3.839 -0.448 1.00 0.00 C ATOM 2132 CG LEU A 133 -1.686 3.018 0.421 1.00 0.00 C ATOM 2133 CD1 LEU A 133 -1.327 3.164 1.889 1.00 0.00 C ATOM 2134 CD2 LEU A 133 -3.134 3.427 0.173 1.00 0.00 C ATOM 0 H LEU A 133 0.265 5.596 -2.092 1.00 0.00 H new ATOM 0 HA LEU A 133 -1.918 5.599 -0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.866 3.540 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.293 3.581 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 133 -1.583 1.968 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -2.017 2.574 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -0.309 2.811 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -1.398 4.213 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -3.794 2.829 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -3.260 4.482 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -3.384 3.262 -0.875 1.00 0.00 H new ATOM 2146 N ASP A 134 -0.526 6.579 1.725 1.00 0.00 N ATOM 2147 CA ASP A 134 0.276 7.157 2.798 1.00 0.00 C ATOM 2148 C ASP A 134 0.158 6.338 4.077 1.00 0.00 C ATOM 2149 O ASP A 134 -0.944 6.077 4.557 1.00 0.00 O ATOM 2150 CB ASP A 134 -0.151 8.602 3.059 1.00 0.00 C ATOM 2151 CG ASP A 134 1.027 9.548 3.143 1.00 0.00 C ATOM 2152 OD1 ASP A 134 1.598 9.691 4.246 1.00 0.00 O ATOM 2153 OD2 ASP A 134 1.382 10.148 2.106 1.00 0.00 O ATOM 0 H ASP A 134 -1.531 6.726 1.819 1.00 0.00 H new ATOM 0 HA ASP A 134 1.319 7.144 2.482 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -0.820 8.929 2.263 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -0.717 8.648 3.990 1.00 0.00 H new ATOM 2158 N ILE A 135 1.300 5.933 4.622 1.00 0.00 N ATOM 2159 CA ILE A 135 1.320 5.144 5.847 1.00 0.00 C ATOM 2160 C ILE A 135 1.880 5.950 7.016 1.00 0.00 C ATOM 2161 O ILE A 135 2.973 6.510 6.937 1.00 0.00 O ATOM 2162 CB ILE A 135 2.146 3.852 5.666 1.00 0.00 C ATOM 2163 CG1 ILE A 135 1.451 2.917 4.668 1.00 0.00 C ATOM 2164 CG2 ILE A 135 2.355 3.148 7.003 1.00 0.00 C ATOM 2165 CD1 ILE A 135 2.237 2.699 3.394 1.00 0.00 C ATOM 0 H ILE A 135 2.221 6.138 4.236 1.00 0.00 H new ATOM 0 HA ILE A 135 0.288 4.874 6.070 1.00 0.00 H new ATOM 0 HB ILE A 135 3.125 4.122 5.271 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.276 1.953 5.147 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.474 3.330 4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 135 2.939 2.241 6.849 1.00 0.00 H new ATOM 0 HG22 ILE A 135 2.888 3.812 7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.387 2.888 7.432 1.00 0.00 H new ATOM 0 HD11 ILE A 135 1.685 2.028 2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 135 2.389 3.655 2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 135 3.204 2.257 3.634 1.00 0.00 H new ATOM 2177 N ALA A 136 1.120 5.996 8.102 1.00 0.00 N ATOM 2178 CA ALA A 136 1.530 6.721 9.298 1.00 0.00 C ATOM 2179 C ALA A 136 2.073 5.761 10.349 1.00 0.00 C ATOM 2180 O ALA A 136 1.307 5.083 11.031 1.00 0.00 O ATOM 2181 CB ALA A 136 0.357 7.516 9.856 1.00 0.00 C ATOM 0 H ALA A 136 0.212 5.538 8.180 1.00 0.00 H new ATOM 0 HA ALA A 136 2.326 7.415 9.028 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.674 8.054 10.749 1.00 0.00 H new ATOM 0 HB2 ALA A 136 0.011 8.228 9.107 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -0.455 6.835 10.111 1.00 0.00 H new ATOM 2187 N ILE A 137 3.396 5.706 10.477 1.00 0.00 N ATOM 2188 CA ILE A 137 4.029 4.823 11.449 1.00 0.00 C ATOM 2189 C ILE A 137 4.133 5.497 12.815 1.00 0.00 C ATOM 2190 O ILE A 137 4.670 6.596 12.937 1.00 0.00 O ATOM 2191 CB ILE A 137 5.433 4.393 10.981 1.00 0.00 C ATOM 2192 CG1 ILE A 137 5.362 3.805 9.570 1.00 0.00 C ATOM 2193 CG2 ILE A 137 6.036 3.387 11.950 1.00 0.00 C ATOM 2194 CD1 ILE A 137 6.717 3.640 8.916 1.00 0.00 C ATOM 0 H ILE A 137 4.047 6.261 9.922 1.00 0.00 H new ATOM 0 HA ILE A 137 3.400 3.937 11.536 1.00 0.00 H new ATOM 0 HB ILE A 137 6.077 5.272 10.960 1.00 0.00 H new ATOM 0 HG12 ILE A 137 4.868 2.834 9.614 1.00 0.00 H new ATOM 0 HG13 ILE A 137 4.743 4.450 8.947 1.00 0.00 H new ATOM 0 HG21 ILE A 137 7.027 3.096 11.602 1.00 0.00 H new ATOM 0 HG22 ILE A 137 6.117 3.838 12.939 1.00 0.00 H new ATOM 0 HG23 ILE A 137 5.397 2.506 12.004 1.00 0.00 H new ATOM 0 HD11 ILE A 137 6.591 3.218 7.919 1.00 0.00 H new ATOM 0 HD12 ILE A 137 7.205 4.612 8.840 1.00 0.00 H new ATOM 0 HD13 ILE A 137 7.332 2.971 9.517 1.00 0.00 H new ATOM 2206 N THR A 138 3.610 4.827 13.839 1.00 0.00 N ATOM 2207 CA THR A 138 3.634 5.361 15.197 1.00 0.00 C ATOM 2208 C THR A 138 4.406 4.439 16.141 1.00 0.00 C ATOM 2209 O THR A 138 3.937 3.351 16.476 1.00 0.00 O ATOM 2210 CB THR A 138 2.206 5.545 15.714 1.00 0.00 C ATOM 2211 OG1 THR A 138 1.291 5.648 14.638 1.00 0.00 O ATOM 2212 CG2 THR A 138 2.039 6.775 16.579 1.00 0.00 C ATOM 0 H THR A 138 3.165 3.913 13.754 1.00 0.00 H new ATOM 0 HA THR A 138 4.140 6.326 15.169 1.00 0.00 H new ATOM 0 HB THR A 138 2.002 4.663 16.320 1.00 0.00 H new ATOM 0 HG1 THR A 138 1.175 4.768 14.222 1.00 0.00 H new ATOM 0 HG21 THR A 138 1.004 6.847 16.913 1.00 0.00 H new ATOM 0 HG22 THR A 138 2.696 6.702 17.446 1.00 0.00 H new ATOM 0 HG23 THR A 138 2.297 7.663 16.002 1.00 0.00 H new ATOM 2220 N PRO A 139 5.601 4.863 16.592 1.00 0.00 N ATOM 2221 CA PRO A 139 6.425 4.066 17.509 1.00 0.00 C ATOM 2222 C PRO A 139 5.697 3.758 18.815 1.00 0.00 C ATOM 2223 O PRO A 139 4.702 4.404 19.145 1.00 0.00 O ATOM 2224 CB PRO A 139 7.642 4.959 17.778 1.00 0.00 C ATOM 2225 CG PRO A 139 7.673 5.922 16.643 1.00 0.00 C ATOM 2226 CD PRO A 139 6.240 6.146 16.255 1.00 0.00 C ATOM 0 HA PRO A 139 6.682 3.096 17.082 1.00 0.00 H new ATOM 0 HB2 PRO A 139 7.548 5.477 18.732 1.00 0.00 H new ATOM 0 HB3 PRO A 139 8.560 4.372 17.823 1.00 0.00 H new ATOM 0 HG2 PRO A 139 8.149 6.857 16.937 1.00 0.00 H new ATOM 0 HG3 PRO A 139 8.246 5.522 15.807 1.00 0.00 H new ATOM 0 HD2 PRO A 139 5.797 6.975 16.807 1.00 0.00 H new ATOM 0 HD3 PRO A 139 6.141 6.380 15.195 1.00 0.00 H new ATOM 2234 N PRO A 140 6.180 2.763 19.578 1.00 0.00 N ATOM 2235 CA PRO A 140 5.568 2.374 20.847 1.00 0.00 C ATOM 2236 C PRO A 140 6.006 3.261 22.008 1.00 0.00 C ATOM 2237 O PRO A 140 6.481 2.774 23.034 1.00 0.00 O ATOM 2238 CB PRO A 140 6.074 0.948 21.040 1.00 0.00 C ATOM 2239 CG PRO A 140 7.420 0.941 20.396 1.00 0.00 C ATOM 2240 CD PRO A 140 7.359 1.934 19.261 1.00 0.00 C ATOM 0 HA PRO A 140 4.482 2.465 20.827 1.00 0.00 H new ATOM 0 HB2 PRO A 140 6.138 0.689 22.097 1.00 0.00 H new ATOM 0 HB3 PRO A 140 5.407 0.223 20.574 1.00 0.00 H new ATOM 0 HG2 PRO A 140 8.194 1.218 21.112 1.00 0.00 H new ATOM 0 HG3 PRO A 140 7.668 -0.054 20.027 1.00 0.00 H new ATOM 0 HD2 PRO A 140 8.267 2.535 19.206 1.00 0.00 H new ATOM 0 HD3 PRO A 140 7.249 1.434 18.298 1.00 0.00 H new