USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 900 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 81 THR OG1 : rot -170:sc= 0.00271 USER MOD Set 1.2: A 146 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0.0027) USER MOD Set 2.1: A 34 MET CE :methyl -159:sc= -2.14 (180deg=-2.98!) USER MOD Set 2.2: A 51 MET CE :methyl -143:sc= -0.285 (180deg=-1.64!) USER MOD Set 3.1: A 46 SER OG : rot 130:sc= -0.581 USER MOD Set 3.2: A 49 MET CE :methyl -159:sc= -9.04! (180deg=-11.7!) USER MOD Set 4.1: A 38 GLN : amide:sc= -0.0907 X(o=0.0065,f=-0.23) USER MOD Set 4.2: A 48 TYR OH : rot 174:sc= 0.0972 USER MOD Single : A 25 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0695) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= 2.17 (180deg=1.96) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 151:sc=-0.00751 USER MOD Single : A 85 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00513) USER MOD Single : A 99 SER OG : rot -95:sc= 1.28 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 120:sc= -1.7! USER MOD Single : A 112 MET CE :methyl 152:sc= -0.266 (180deg=-1.5) USER MOD Single : A 115 LYS NZ :NH3+ -161:sc= 1.15 (180deg=0.691) USER MOD Single : A 126 LYS NZ :NH3+ 160:sc= -0.103 (180deg=-0.488) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 134 GLN : amide:sc=-0.00805 K(o=-0.008,f=-0.96) USER MOD Single : A 135 SER OG : rot 27:sc= 0.0434 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN :FLIP amide:sc= -0.0773 F(o=-0.86,f=-0.077) USER MOD Single : A 152 GLN : amide:sc= -0.438 K(o=-0.44,f=-2.7!) USER MOD Single : A 157 SER OG : rot 180:sc= 0 USER MOD Single : A 160 SER OG : rot -34:sc= 0.525 USER MOD Single : A 164 THR OG1 : rot 39:sc= -0.369 USER MOD ----------------------------------------------------------------- ATOM 308 N LYS A 25 7.581 29.563 -6.476 1.00 8.70 N ATOM 309 CA LYS A 25 6.724 29.872 -5.362 1.00 8.11 C ATOM 310 C LYS A 25 5.274 29.792 -5.788 1.00 7.19 C ATOM 311 O LYS A 25 4.571 30.787 -5.894 1.00 6.94 O ATOM 312 CB LYS A 25 7.103 31.238 -4.800 1.00 8.62 C ATOM 313 CG LYS A 25 7.011 32.373 -5.802 1.00 9.02 C ATOM 314 CD LYS A 25 8.085 33.402 -5.531 1.00 9.74 C ATOM 315 CE LYS A 25 7.910 34.066 -4.169 1.00 10.22 C ATOM 316 NZ LYS A 25 6.670 34.887 -4.094 1.00 10.38 N1+ ATOM 0 HA LYS A 25 6.857 29.142 -4.564 1.00 8.11 H new ATOM 0 HB2 LYS A 25 6.454 31.463 -3.954 1.00 8.62 H new ATOM 0 HB3 LYS A 25 8.122 31.190 -4.416 1.00 8.62 H new ATOM 0 HG2 LYS A 25 7.119 31.983 -6.814 1.00 9.02 H new ATOM 0 HG3 LYS A 25 6.028 32.840 -5.743 1.00 9.02 H new ATOM 0 HD2 LYS A 25 9.064 32.925 -5.579 1.00 9.74 H new ATOM 0 HD3 LYS A 25 8.063 34.163 -6.311 1.00 9.74 H new ATOM 0 HE2 LYS A 25 7.882 33.299 -3.395 1.00 10.22 H new ATOM 0 HE3 LYS A 25 8.774 34.697 -3.962 1.00 10.22 H new ATOM 0 HZ1 LYS A 25 6.671 35.437 -3.211 1.00 10.38 H new ATOM 0 HZ2 LYS A 25 6.633 35.536 -4.906 1.00 10.38 H new ATOM 0 HZ3 LYS A 25 5.839 34.263 -4.112 1.00 10.38 H new ATOM 330 N ARG A 26 4.865 28.571 -6.064 1.00 6.90 N ATOM 331 CA ARG A 26 3.527 28.272 -6.513 1.00 6.23 C ATOM 332 C ARG A 26 2.997 27.064 -5.744 1.00 5.83 C ATOM 333 O ARG A 26 3.745 26.126 -5.465 1.00 6.27 O ATOM 334 CB ARG A 26 3.575 28.019 -8.011 1.00 6.68 C ATOM 335 CG ARG A 26 3.789 29.292 -8.798 1.00 7.16 C ATOM 336 CD ARG A 26 3.500 29.104 -10.280 1.00 7.38 C ATOM 337 NE ARG A 26 4.337 28.064 -10.886 1.00 7.54 N ATOM 338 CZ ARG A 26 4.556 27.956 -12.199 1.00 7.99 C ATOM 339 NH1 ARG A 26 3.986 28.804 -13.044 1.00 8.33 N1+ ATOM 340 NH2 ARG A 26 5.340 26.994 -12.665 1.00 8.37 N ATOM 0 H ARG A 26 5.463 27.749 -5.981 1.00 6.90 H new ATOM 0 HA ARG A 26 2.849 29.104 -6.324 1.00 6.23 H new ATOM 0 HB2 ARG A 26 4.378 27.317 -8.234 1.00 6.68 H new ATOM 0 HB3 ARG A 26 2.644 27.550 -8.329 1.00 6.68 H new ATOM 0 HG2 ARG A 26 3.145 30.076 -8.400 1.00 7.16 H new ATOM 0 HG3 ARG A 26 4.818 29.629 -8.670 1.00 7.16 H new ATOM 0 HD2 ARG A 26 2.450 28.844 -10.412 1.00 7.38 H new ATOM 0 HD3 ARG A 26 3.663 30.047 -10.802 1.00 7.38 H new ATOM 0 HE ARG A 26 4.778 27.383 -10.268 1.00 7.54 H new ATOM 0 HH11 ARG A 26 3.377 29.543 -12.692 1.00 8.33 H new ATOM 0 HH12 ARG A 26 4.156 28.717 -14.046 1.00 8.33 H new ATOM 0 HH21 ARG A 26 5.777 26.335 -12.021 1.00 8.37 H new ATOM 0 HH22 ARG A 26 5.506 26.913 -13.668 1.00 8.37 H new ATOM 354 N ILE A 27 1.716 27.122 -5.381 1.00 5.15 N ATOM 355 CA ILE A 27 1.117 26.185 -4.424 1.00 4.81 C ATOM 356 C ILE A 27 1.296 24.749 -4.797 1.00 5.34 C ATOM 357 O ILE A 27 0.981 24.311 -5.898 1.00 5.76 O ATOM 358 CB ILE A 27 -0.393 26.432 -4.224 1.00 4.32 C ATOM 359 CG1 ILE A 27 -0.680 27.890 -3.899 1.00 4.09 C ATOM 360 CG2 ILE A 27 -0.932 25.532 -3.125 1.00 4.22 C ATOM 361 CD1 ILE A 27 -0.174 28.335 -2.556 1.00 4.18 C ATOM 0 H ILE A 27 1.063 27.818 -5.740 1.00 5.15 H new ATOM 0 HA ILE A 27 1.657 26.380 -3.498 1.00 4.81 H new ATOM 0 HB ILE A 27 -0.898 26.193 -5.160 1.00 4.32 H new ATOM 0 HG12 ILE A 27 -0.231 28.517 -4.669 1.00 4.09 H new ATOM 0 HG13 ILE A 27 -1.757 28.054 -3.941 1.00 4.09 H new ATOM 0 HG21 ILE A 27 -1.998 25.716 -2.994 1.00 4.22 H new ATOM 0 HG22 ILE A 27 -0.775 24.489 -3.399 1.00 4.22 H new ATOM 0 HG23 ILE A 27 -0.410 25.744 -2.192 1.00 4.22 H new ATOM 0 HD11 ILE A 27 -0.420 29.386 -2.404 1.00 4.18 H new ATOM 0 HD12 ILE A 27 -0.642 27.736 -1.774 1.00 4.18 H new ATOM 0 HD13 ILE A 27 0.908 28.206 -2.514 1.00 4.18 H new ATOM 373 N LEU A 28 1.770 24.032 -3.807 1.00 5.52 N ATOM 374 CA LEU A 28 1.972 22.626 -3.908 1.00 6.20 C ATOM 375 C LEU A 28 0.726 21.852 -3.479 1.00 6.05 C ATOM 376 O LEU A 28 0.450 20.770 -3.995 1.00 6.59 O ATOM 377 CB LEU A 28 3.217 22.252 -3.096 1.00 6.86 C ATOM 378 CG LEU A 28 3.427 22.907 -1.708 1.00 7.51 C ATOM 379 CD1 LEU A 28 2.285 22.664 -0.746 1.00 8.22 C ATOM 380 CD2 LEU A 28 4.729 22.410 -1.098 1.00 7.71 C ATOM 0 H LEU A 28 2.026 24.424 -2.901 1.00 5.52 H new ATOM 0 HA LEU A 28 2.143 22.347 -4.948 1.00 6.20 H new ATOM 0 HB2 LEU A 28 3.205 21.172 -2.953 1.00 6.86 H new ATOM 0 HB3 LEU A 28 4.090 22.483 -3.706 1.00 6.86 H new ATOM 0 HG LEU A 28 3.468 23.983 -1.875 1.00 7.51 H new ATOM 0 HD11 LEU A 28 2.500 23.151 0.205 1.00 8.22 H new ATOM 0 HD12 LEU A 28 1.365 23.073 -1.163 1.00 8.22 H new ATOM 0 HD13 LEU A 28 2.166 21.592 -0.586 1.00 8.22 H new ATOM 0 HD21 LEU A 28 4.873 22.873 -0.122 1.00 7.71 H new ATOM 0 HD22 LEU A 28 4.687 21.327 -0.983 1.00 7.71 H new ATOM 0 HD23 LEU A 28 5.561 22.674 -1.751 1.00 7.71 H new ATOM 392 N TYR A 29 -0.026 22.469 -2.563 1.00 5.47 N ATOM 393 CA TYR A 29 -1.233 21.911 -1.952 1.00 5.43 C ATOM 394 C TYR A 29 -1.458 22.637 -0.628 1.00 4.86 C ATOM 395 O TYR A 29 -0.782 23.625 -0.338 1.00 4.58 O ATOM 396 CB TYR A 29 -1.114 20.400 -1.736 1.00 6.20 C ATOM 397 CG TYR A 29 -0.069 19.969 -0.732 1.00 6.41 C ATOM 398 CD1 TYR A 29 1.254 19.823 -1.112 1.00 6.76 C ATOM 399 CD2 TYR A 29 -0.405 19.711 0.586 1.00 6.48 C ATOM 400 CE1 TYR A 29 2.219 19.430 -0.206 1.00 7.24 C ATOM 401 CE2 TYR A 29 0.551 19.318 1.501 1.00 6.91 C ATOM 402 CZ TYR A 29 1.864 19.176 1.100 1.00 7.33 C ATOM 403 OH TYR A 29 2.821 18.784 2.008 1.00 7.99 O ATOM 0 H TYR A 29 0.197 23.402 -2.216 1.00 5.47 H new ATOM 0 HA TYR A 29 -2.084 22.058 -2.618 1.00 5.43 H new ATOM 0 HB2 TYR A 29 -2.083 20.019 -1.413 1.00 6.20 H new ATOM 0 HB3 TYR A 29 -0.889 19.930 -2.693 1.00 6.20 H new ATOM 0 HD1 TYR A 29 1.537 20.020 -2.136 1.00 6.76 H new ATOM 0 HD2 TYR A 29 -1.432 19.819 0.903 1.00 6.48 H new ATOM 0 HE1 TYR A 29 3.247 19.322 -0.520 1.00 7.24 H new ATOM 0 HE2 TYR A 29 0.273 19.123 2.526 1.00 6.91 H new ATOM 0 HH TYR A 29 2.404 18.647 2.884 1.00 7.99 H new ATOM 413 N TRP A 30 -2.425 22.174 0.149 1.00 4.95 N ATOM 414 CA TRP A 30 -2.785 22.827 1.401 1.00 4.73 C ATOM 415 C TRP A 30 -2.534 21.908 2.580 1.00 5.18 C ATOM 416 O TRP A 30 -2.749 20.703 2.493 1.00 5.61 O ATOM 417 CB TRP A 30 -4.253 23.223 1.372 1.00 4.74 C ATOM 418 CG TRP A 30 -4.472 24.661 1.026 1.00 4.48 C ATOM 419 CD1 TRP A 30 -4.786 25.666 1.891 1.00 4.66 C ATOM 420 CD2 TRP A 30 -4.387 25.257 -0.270 1.00 4.33 C ATOM 421 NE1 TRP A 30 -4.925 26.849 1.207 1.00 4.65 N ATOM 422 CE2 TRP A 30 -4.683 26.624 -0.121 1.00 4.37 C ATOM 423 CE3 TRP A 30 -4.099 24.768 -1.543 1.00 4.46 C ATOM 424 CZ2 TRP A 30 -4.696 27.505 -1.198 1.00 4.41 C ATOM 425 CZ3 TRP A 30 -4.112 25.642 -2.612 1.00 4.49 C ATOM 426 CH2 TRP A 30 -4.410 26.995 -2.434 1.00 4.40 C ATOM 0 H TRP A 30 -2.978 21.344 -0.066 1.00 4.95 H new ATOM 0 HA TRP A 30 -2.166 23.717 1.514 1.00 4.73 H new ATOM 0 HB2 TRP A 30 -4.776 22.599 0.648 1.00 4.74 H new ATOM 0 HB3 TRP A 30 -4.696 23.020 2.347 1.00 4.74 H new ATOM 0 HD1 TRP A 30 -4.908 25.549 2.958 1.00 4.66 H new ATOM 0 HE1 TRP A 30 -5.169 27.749 1.621 1.00 4.65 H new ATOM 0 HE3 TRP A 30 -3.870 23.723 -1.691 1.00 4.46 H new ATOM 0 HZ2 TRP A 30 -4.923 28.552 -1.063 1.00 4.41 H new ATOM 0 HZ3 TRP A 30 -3.888 25.273 -3.602 1.00 4.49 H new ATOM 0 HH2 TRP A 30 -4.415 27.652 -3.291 1.00 4.40 H new ATOM 437 N ARG A 31 -2.077 22.486 3.679 1.00 5.31 N ATOM 438 CA ARG A 31 -1.725 21.721 4.860 1.00 5.89 C ATOM 439 C ARG A 31 -1.987 22.534 6.118 1.00 6.18 C ATOM 440 O ARG A 31 -1.975 23.761 6.079 1.00 6.15 O ATOM 441 CB ARG A 31 -0.251 21.327 4.807 1.00 6.39 C ATOM 442 CG ARG A 31 0.677 22.534 4.849 1.00 6.58 C ATOM 443 CD ARG A 31 2.100 22.172 4.474 1.00 7.25 C ATOM 444 NE ARG A 31 3.007 23.305 4.636 1.00 7.68 N ATOM 445 CZ ARG A 31 4.322 23.193 4.808 1.00 8.49 C ATOM 446 NH1 ARG A 31 4.889 21.996 4.844 1.00 8.90 N1+ ATOM 447 NH2 ARG A 31 5.067 24.280 4.948 1.00 9.06 N ATOM 0 H ARG A 31 -1.941 23.492 3.776 1.00 5.31 H new ATOM 0 HA ARG A 31 -2.341 20.822 4.884 1.00 5.89 H new ATOM 0 HB2 ARG A 31 -0.024 20.669 5.646 1.00 6.39 H new ATOM 0 HB3 ARG A 31 -0.062 20.759 3.896 1.00 6.39 H new ATOM 0 HG2 ARG A 31 0.306 23.300 4.167 1.00 6.58 H new ATOM 0 HG3 ARG A 31 0.665 22.965 5.850 1.00 6.58 H new ATOM 0 HD2 ARG A 31 2.440 21.343 5.094 1.00 7.25 H new ATOM 0 HD3 ARG A 31 2.128 21.829 3.440 1.00 7.25 H new ATOM 0 HE ARG A 31 2.607 24.243 4.616 1.00 7.68 H new ATOM 0 HH11 ARG A 31 4.317 21.158 4.740 1.00 8.90 H new ATOM 0 HH12 ARG A 31 5.897 21.913 4.976 1.00 8.90 H new ATOM 0 HH21 ARG A 31 4.633 25.203 4.924 1.00 9.06 H new ATOM 0 HH22 ARG A 31 6.075 24.194 5.080 1.00 9.06 H new ATOM 461 N ASP A 32 -2.215 21.861 7.227 1.00 6.64 N ATOM 462 CA ASP A 32 -2.338 22.548 8.504 1.00 7.19 C ATOM 463 C ASP A 32 -0.969 22.588 9.166 1.00 7.82 C ATOM 464 O ASP A 32 -0.234 21.601 9.137 1.00 8.07 O ATOM 465 CB ASP A 32 -3.334 21.829 9.419 1.00 7.56 C ATOM 466 CG ASP A 32 -3.828 22.699 10.557 1.00 7.94 C ATOM 467 OD1 ASP A 32 -3.104 22.853 11.564 1.00 8.31 O1- ATOM 468 OD2 ASP A 32 -4.956 23.208 10.460 1.00 8.10 O ATOM 0 H ASP A 32 -2.319 20.847 7.275 1.00 6.64 H new ATOM 0 HA ASP A 32 -2.707 23.559 8.333 1.00 7.19 H new ATOM 0 HB2 ASP A 32 -4.187 21.495 8.828 1.00 7.56 H new ATOM 0 HB3 ASP A 32 -2.862 20.936 9.830 1.00 7.56 H new ATOM 473 N PRO A 33 -0.593 23.728 9.749 1.00 8.28 N ATOM 474 CA PRO A 33 0.680 23.862 10.454 1.00 9.11 C ATOM 475 C PRO A 33 0.771 22.931 11.664 1.00 9.74 C ATOM 476 O PRO A 33 1.853 22.723 12.215 1.00 10.41 O ATOM 477 CB PRO A 33 0.719 25.325 10.906 1.00 9.60 C ATOM 478 CG PRO A 33 -0.364 26.021 10.148 1.00 8.98 C ATOM 479 CD PRO A 33 -1.364 24.975 9.741 1.00 8.23 C ATOM 0 HA PRO A 33 1.517 23.591 9.811 1.00 9.11 H new ATOM 0 HB2 PRO A 33 0.556 25.405 11.981 1.00 9.60 H new ATOM 0 HB3 PRO A 33 1.691 25.772 10.696 1.00 9.60 H new ATOM 0 HG2 PRO A 33 -0.836 26.785 10.766 1.00 8.98 H new ATOM 0 HG3 PRO A 33 0.043 26.526 9.272 1.00 8.98 H new ATOM 0 HD2 PRO A 33 -2.202 24.931 10.437 1.00 8.23 H new ATOM 0 HD3 PRO A 33 -1.779 25.182 8.755 1.00 8.23 H new ATOM 487 N MET A 34 -0.364 22.367 12.068 1.00 9.60 N ATOM 488 CA MET A 34 -0.392 21.395 13.153 1.00 10.19 C ATOM 489 C MET A 34 -0.454 19.972 12.616 1.00 9.99 C ATOM 490 O MET A 34 -0.520 19.013 13.389 1.00 10.53 O ATOM 491 CB MET A 34 -1.586 21.629 14.079 1.00 10.40 C ATOM 492 CG MET A 34 -1.389 22.735 15.105 1.00 10.85 C ATOM 493 SD MET A 34 -2.397 24.201 14.798 1.00 10.55 S ATOM 494 CE MET A 34 -1.500 24.978 13.472 1.00 10.30 C ATOM 0 H MET A 34 -1.277 22.568 11.659 1.00 9.60 H new ATOM 0 HA MET A 34 0.530 21.527 13.718 1.00 10.19 H new ATOM 0 HB2 MET A 34 -2.459 21.868 13.471 1.00 10.40 H new ATOM 0 HB3 MET A 34 -1.808 20.700 14.604 1.00 10.40 H new ATOM 0 HG2 MET A 34 -1.624 22.345 16.095 1.00 10.85 H new ATOM 0 HG3 MET A 34 -0.338 23.024 15.117 1.00 10.85 H new ATOM 0 HE1 MET A 34 -1.762 26.035 13.426 1.00 10.30 H new ATOM 0 HE2 MET A 34 -0.429 24.877 13.649 1.00 10.30 H new ATOM 0 HE3 MET A 34 -1.758 24.498 12.528 1.00 10.30 H new ATOM 504 N VAL A 35 -0.425 19.826 11.297 1.00 9.32 N ATOM 505 CA VAL A 35 -0.424 18.495 10.683 1.00 9.27 C ATOM 506 C VAL A 35 0.716 18.324 9.644 1.00 9.25 C ATOM 507 O VAL A 35 0.533 17.684 8.609 1.00 8.98 O ATOM 508 CB VAL A 35 -1.800 18.203 10.035 1.00 8.70 C ATOM 509 CG1 VAL A 35 -2.915 18.572 11.002 1.00 8.84 C ATOM 510 CG2 VAL A 35 -1.967 18.932 8.708 1.00 7.95 C ATOM 0 H VAL A 35 -0.402 20.601 10.634 1.00 9.32 H new ATOM 0 HA VAL A 35 -0.240 17.772 11.477 1.00 9.27 H new ATOM 0 HB VAL A 35 -1.854 17.136 9.820 1.00 8.70 H new ATOM 0 HG11 VAL A 35 -3.880 18.364 10.540 1.00 8.84 H new ATOM 0 HG12 VAL A 35 -2.815 17.984 11.914 1.00 8.84 H new ATOM 0 HG13 VAL A 35 -2.850 19.633 11.245 1.00 8.84 H new ATOM 0 HG21 VAL A 35 -2.945 18.701 8.286 1.00 7.95 H new ATOM 0 HG22 VAL A 35 -1.887 20.007 8.871 1.00 7.95 H new ATOM 0 HG23 VAL A 35 -1.188 18.611 8.016 1.00 7.95 H new ATOM 520 N PRO A 36 1.935 18.838 9.936 1.00 9.74 N ATOM 521 CA PRO A 36 3.039 18.878 8.965 1.00 9.85 C ATOM 522 C PRO A 36 3.319 17.518 8.331 1.00 10.22 C ATOM 523 O PRO A 36 3.750 16.582 9.004 1.00 10.95 O ATOM 524 CB PRO A 36 4.245 19.338 9.793 1.00 10.65 C ATOM 525 CG PRO A 36 3.840 19.133 11.211 1.00 11.10 C ATOM 526 CD PRO A 36 2.363 19.363 11.236 1.00 10.41 C ATOM 0 HA PRO A 36 2.805 19.537 8.129 1.00 9.85 H new ATOM 0 HB2 PRO A 36 5.135 18.758 9.549 1.00 10.65 H new ATOM 0 HB3 PRO A 36 4.482 20.384 9.598 1.00 10.65 H new ATOM 0 HG2 PRO A 36 4.087 18.127 11.549 1.00 11.10 H new ATOM 0 HG3 PRO A 36 4.358 19.828 11.872 1.00 11.10 H new ATOM 0 HD2 PRO A 36 1.885 18.837 12.063 1.00 10.41 H new ATOM 0 HD3 PRO A 36 2.119 20.420 11.347 1.00 10.41 H new ATOM 534 N GLY A 37 3.063 17.418 7.035 1.00 9.82 N ATOM 535 CA GLY A 37 3.253 16.168 6.331 1.00 10.31 C ATOM 536 C GLY A 37 1.997 15.744 5.610 1.00 9.86 C ATOM 537 O GLY A 37 2.056 15.195 4.510 1.00 10.21 O ATOM 0 H GLY A 37 2.725 18.186 6.456 1.00 9.82 H new ATOM 0 HA2 GLY A 37 4.068 16.273 5.614 1.00 10.31 H new ATOM 0 HA3 GLY A 37 3.548 15.392 7.038 1.00 10.31 H new ATOM 541 N GLN A 38 0.859 16.024 6.231 1.00 9.21 N ATOM 542 CA GLN A 38 -0.439 15.698 5.662 1.00 8.88 C ATOM 543 C GLN A 38 -0.679 16.480 4.370 1.00 8.38 C ATOM 544 O GLN A 38 -0.980 17.674 4.384 1.00 8.00 O ATOM 545 CB GLN A 38 -1.534 15.983 6.692 1.00 8.51 C ATOM 546 CG GLN A 38 -2.951 15.886 6.165 1.00 8.11 C ATOM 547 CD GLN A 38 -3.283 14.542 5.568 1.00 8.18 C ATOM 548 OE1 GLN A 38 -3.707 13.623 6.262 1.00 8.47 O ATOM 549 NE2 GLN A 38 -3.129 14.436 4.265 1.00 8.21 N ATOM 0 H GLN A 38 0.811 16.482 7.141 1.00 9.21 H new ATOM 0 HA GLN A 38 -0.462 14.638 5.410 1.00 8.88 H new ATOM 0 HB2 GLN A 38 -1.422 15.284 7.521 1.00 8.51 H new ATOM 0 HB3 GLN A 38 -1.380 16.984 7.096 1.00 8.51 H new ATOM 0 HG2 GLN A 38 -3.647 16.095 6.978 1.00 8.11 H new ATOM 0 HG3 GLN A 38 -3.102 16.657 5.410 1.00 8.11 H new ATOM 0 HE21 GLN A 38 -2.773 15.226 3.728 1.00 8.21 H new ATOM 0 HE22 GLN A 38 -3.366 13.563 3.793 1.00 8.21 H new ATOM 558 N ARG A 39 -0.523 15.782 3.256 1.00 8.53 N ATOM 559 CA ARG A 39 -0.710 16.354 1.937 1.00 8.21 C ATOM 560 C ARG A 39 -2.190 16.369 1.590 1.00 8.04 C ATOM 561 O ARG A 39 -2.766 15.330 1.275 1.00 8.70 O ATOM 562 CB ARG A 39 0.062 15.511 0.911 1.00 8.96 C ATOM 563 CG ARG A 39 0.471 16.244 -0.363 1.00 8.86 C ATOM 564 CD ARG A 39 -0.715 16.622 -1.235 1.00 9.10 C ATOM 565 NE ARG A 39 -1.448 15.458 -1.724 1.00 10.02 N ATOM 566 CZ ARG A 39 -2.264 15.480 -2.775 1.00 10.60 C ATOM 567 NH1 ARG A 39 -2.373 16.572 -3.525 1.00 10.42 N1+ ATOM 568 NH2 ARG A 39 -2.950 14.397 -3.092 1.00 11.51 N ATOM 0 H ARG A 39 -0.261 14.796 3.244 1.00 8.53 H new ATOM 0 HA ARG A 39 -0.335 17.377 1.922 1.00 8.21 H new ATOM 0 HB2 ARG A 39 0.960 15.120 1.389 1.00 8.96 H new ATOM 0 HB3 ARG A 39 -0.552 14.653 0.635 1.00 8.96 H new ATOM 0 HG2 ARG A 39 1.021 17.146 -0.096 1.00 8.86 H new ATOM 0 HG3 ARG A 39 1.151 15.614 -0.936 1.00 8.86 H new ATOM 0 HD2 ARG A 39 -1.391 17.259 -0.665 1.00 9.10 H new ATOM 0 HD3 ARG A 39 -0.364 17.208 -2.084 1.00 9.10 H new ATOM 0 HE ARG A 39 -1.327 14.574 -1.230 1.00 10.02 H new ATOM 0 HH11 ARG A 39 -1.828 17.404 -3.297 1.00 10.42 H new ATOM 0 HH12 ARG A 39 -3.001 16.578 -4.328 1.00 10.42 H new ATOM 0 HH21 ARG A 39 -2.853 13.550 -2.532 1.00 11.51 H new ATOM 0 HH22 ARG A 39 -3.577 14.408 -3.896 1.00 11.51 H new ATOM 582 N PHE A 40 -2.813 17.535 1.677 1.00 7.31 N ATOM 583 CA PHE A 40 -4.188 17.669 1.241 1.00 7.34 C ATOM 584 C PHE A 40 -4.188 18.000 -0.226 1.00 7.47 C ATOM 585 O PHE A 40 -3.437 18.860 -0.680 1.00 7.06 O ATOM 586 CB PHE A 40 -4.923 18.757 2.018 1.00 6.76 C ATOM 587 CG PHE A 40 -5.178 18.411 3.451 1.00 6.92 C ATOM 588 CD1 PHE A 40 -6.313 17.708 3.812 1.00 7.27 C ATOM 589 CD2 PHE A 40 -4.288 18.796 4.435 1.00 6.93 C ATOM 590 CE1 PHE A 40 -6.555 17.396 5.131 1.00 7.50 C ATOM 591 CE2 PHE A 40 -4.524 18.486 5.757 1.00 7.26 C ATOM 592 CZ PHE A 40 -5.659 17.785 6.106 1.00 7.49 C ATOM 0 H PHE A 40 -2.392 18.390 2.041 1.00 7.31 H new ATOM 0 HA PHE A 40 -4.710 16.730 1.426 1.00 7.34 H new ATOM 0 HB2 PHE A 40 -4.341 19.677 1.975 1.00 6.76 H new ATOM 0 HB3 PHE A 40 -5.875 18.959 1.528 1.00 6.76 H new ATOM 0 HD1 PHE A 40 -7.016 17.401 3.052 1.00 7.27 H new ATOM 0 HD2 PHE A 40 -3.398 19.346 4.166 1.00 6.93 H new ATOM 0 HE1 PHE A 40 -7.445 16.848 5.402 1.00 7.50 H new ATOM 0 HE2 PHE A 40 -3.821 18.792 6.518 1.00 7.26 H new ATOM 0 HZ PHE A 40 -5.847 17.541 7.141 1.00 7.49 H new ATOM 602 N ASP A 41 -5.034 17.298 -0.954 1.00 8.18 N ATOM 603 CA ASP A 41 -5.054 17.377 -2.402 1.00 8.62 C ATOM 604 C ASP A 41 -5.438 18.770 -2.852 1.00 8.07 C ATOM 605 O ASP A 41 -4.949 19.261 -3.869 1.00 8.18 O ATOM 606 CB ASP A 41 -6.043 16.361 -2.956 1.00 9.62 C ATOM 607 CG ASP A 41 -5.896 16.211 -4.453 1.00 10.23 C ATOM 608 OD1 ASP A 41 -4.999 15.457 -4.887 1.00 10.48 O1- ATOM 609 OD2 ASP A 41 -6.660 16.853 -5.193 1.00 10.61 O ATOM 0 H ASP A 41 -5.725 16.659 -0.561 1.00 8.18 H new ATOM 0 HA ASP A 41 -4.056 17.154 -2.780 1.00 8.62 H new ATOM 0 HB2 ASP A 41 -5.884 15.396 -2.474 1.00 9.62 H new ATOM 0 HB3 ASP A 41 -7.060 16.673 -2.718 1.00 9.62 H new ATOM 614 N LYS A 42 -6.323 19.401 -2.094 1.00 7.60 N ATOM 615 CA LYS A 42 -6.791 20.733 -2.424 1.00 7.23 C ATOM 616 C LYS A 42 -7.120 21.518 -1.159 1.00 6.69 C ATOM 617 O LYS A 42 -7.286 20.919 -0.093 1.00 6.78 O ATOM 618 CB LYS A 42 -8.039 20.700 -3.327 1.00 8.14 C ATOM 619 CG LYS A 42 -7.929 19.800 -4.546 1.00 8.90 C ATOM 620 CD LYS A 42 -9.223 19.785 -5.342 1.00 9.77 C ATOM 621 CE LYS A 42 -9.116 18.903 -6.575 1.00 10.52 C ATOM 622 NZ LYS A 42 -8.923 17.470 -6.227 1.00 10.91 N1+ ATOM 0 H LYS A 42 -6.730 19.008 -1.245 1.00 7.60 H new ATOM 0 HA LYS A 42 -5.982 21.222 -2.966 1.00 7.23 H new ATOM 0 HB2 LYS A 42 -8.891 20.375 -2.730 1.00 8.14 H new ATOM 0 HB3 LYS A 42 -8.253 21.715 -3.662 1.00 8.14 H new ATOM 0 HG2 LYS A 42 -7.113 20.144 -5.182 1.00 8.90 H new ATOM 0 HG3 LYS A 42 -7.682 18.786 -4.231 1.00 8.90 H new ATOM 0 HD2 LYS A 42 -10.035 19.428 -4.709 1.00 9.77 H new ATOM 0 HD3 LYS A 42 -9.477 20.801 -5.643 1.00 9.77 H new ATOM 0 HE2 LYS A 42 -10.019 19.011 -7.176 1.00 10.52 H new ATOM 0 HE3 LYS A 42 -8.282 19.241 -7.190 1.00 10.52 H new ATOM 0 HZ1 LYS A 42 -9.108 16.881 -7.064 1.00 10.91 H new ATOM 0 HZ2 LYS A 42 -7.945 17.319 -5.907 1.00 10.91 H new ATOM 0 HZ3 LYS A 42 -9.581 17.206 -5.466 1.00 10.91 H new ATOM 636 N PRO A 43 -7.214 22.847 -1.257 1.00 6.27 N ATOM 637 CA PRO A 43 -7.606 23.730 -0.144 1.00 6.04 C ATOM 638 C PRO A 43 -8.895 23.291 0.575 1.00 6.80 C ATOM 639 O PRO A 43 -9.590 22.360 0.148 1.00 7.51 O ATOM 640 CB PRO A 43 -7.800 25.098 -0.825 1.00 6.00 C ATOM 641 CG PRO A 43 -7.814 24.805 -2.291 1.00 6.35 C ATOM 642 CD PRO A 43 -6.910 23.624 -2.456 1.00 6.19 C ATOM 0 HA PRO A 43 -6.853 23.726 0.645 1.00 6.04 H new ATOM 0 HB2 PRO A 43 -8.731 25.568 -0.508 1.00 6.00 H new ATOM 0 HB3 PRO A 43 -6.993 25.784 -0.568 1.00 6.00 H new ATOM 0 HG2 PRO A 43 -8.822 24.582 -2.640 1.00 6.35 H new ATOM 0 HG3 PRO A 43 -7.458 25.659 -2.868 1.00 6.35 H new ATOM 0 HD2 PRO A 43 -7.125 23.069 -3.369 1.00 6.19 H new ATOM 0 HD3 PRO A 43 -5.860 23.915 -2.500 1.00 6.19 H new ATOM 650 N GLY A 44 -9.192 23.945 1.691 1.00 6.81 N ATOM 651 CA GLY A 44 -10.402 23.639 2.430 1.00 7.59 C ATOM 652 C GLY A 44 -10.205 23.735 3.932 1.00 7.56 C ATOM 653 O GLY A 44 -9.209 24.293 4.399 1.00 7.08 O ATOM 0 H GLY A 44 -8.616 24.682 2.098 1.00 6.81 H new ATOM 0 HA2 GLY A 44 -11.193 24.325 2.126 1.00 7.59 H new ATOM 0 HA3 GLY A 44 -10.736 22.633 2.174 1.00 7.59 H new ATOM 657 N LYS A 45 -11.159 23.198 4.682 1.00 8.20 N ATOM 658 CA LYS A 45 -11.081 23.169 6.136 1.00 8.37 C ATOM 659 C LYS A 45 -10.416 21.872 6.577 1.00 8.15 C ATOM 660 O LYS A 45 -10.601 20.827 5.952 1.00 8.27 O ATOM 661 CB LYS A 45 -12.484 23.269 6.730 1.00 9.30 C ATOM 662 CG LYS A 45 -12.510 23.456 8.242 1.00 9.65 C ATOM 663 CD LYS A 45 -13.380 22.422 8.922 1.00 10.42 C ATOM 664 CE LYS A 45 -14.775 22.357 8.316 1.00 11.07 C ATOM 665 NZ LYS A 45 -15.634 21.359 9.005 1.00 11.68 N1+ ATOM 0 H LYS A 45 -12.004 22.772 4.301 1.00 8.20 H new ATOM 0 HA LYS A 45 -10.490 24.014 6.489 1.00 8.37 H new ATOM 0 HB2 LYS A 45 -13.006 24.104 6.263 1.00 9.30 H new ATOM 0 HB3 LYS A 45 -13.039 22.365 6.477 1.00 9.30 H new ATOM 0 HG2 LYS A 45 -11.495 23.391 8.634 1.00 9.65 H new ATOM 0 HG3 LYS A 45 -12.879 24.454 8.478 1.00 9.65 H new ATOM 0 HD2 LYS A 45 -12.906 21.443 8.845 1.00 10.42 H new ATOM 0 HD3 LYS A 45 -13.457 22.656 9.984 1.00 10.42 H new ATOM 0 HE2 LYS A 45 -15.242 23.340 8.375 1.00 11.07 H new ATOM 0 HE3 LYS A 45 -14.700 22.103 7.259 1.00 11.07 H new ATOM 0 HZ1 LYS A 45 -16.575 21.346 8.562 1.00 11.68 H new ATOM 0 HZ2 LYS A 45 -15.202 20.416 8.927 1.00 11.68 H new ATOM 0 HZ3 LYS A 45 -15.727 21.615 10.009 1.00 11.68 H new ATOM 679 N SER A 46 -9.634 21.948 7.638 1.00 8.03 N ATOM 680 CA SER A 46 -8.913 20.795 8.144 1.00 7.98 C ATOM 681 C SER A 46 -9.872 19.791 8.784 1.00 8.64 C ATOM 682 O SER A 46 -10.882 20.171 9.375 1.00 9.20 O ATOM 683 CB SER A 46 -7.877 21.257 9.169 1.00 8.03 C ATOM 684 OG SER A 46 -6.969 20.217 9.491 1.00 8.36 O ATOM 0 H SER A 46 -9.481 22.805 8.170 1.00 8.03 H new ATOM 0 HA SER A 46 -8.411 20.301 7.312 1.00 7.98 H new ATOM 0 HB2 SER A 46 -7.328 22.112 8.774 1.00 8.03 H new ATOM 0 HB3 SER A 46 -8.383 21.593 10.074 1.00 8.03 H new ATOM 0 HG SER A 46 -6.050 20.549 9.413 1.00 8.36 H new ATOM 690 N PRO A 47 -9.575 18.489 8.662 1.00 8.70 N ATOM 691 CA PRO A 47 -10.363 17.436 9.296 1.00 9.38 C ATOM 692 C PRO A 47 -9.998 17.272 10.765 1.00 9.63 C ATOM 693 O PRO A 47 -10.761 16.733 11.565 1.00 10.25 O ATOM 694 CB PRO A 47 -9.972 16.193 8.504 1.00 9.45 C ATOM 695 CG PRO A 47 -8.573 16.447 8.072 1.00 8.81 C ATOM 696 CD PRO A 47 -8.447 17.937 7.888 1.00 8.26 C ATOM 0 HA PRO A 47 -11.433 17.644 9.284 1.00 9.38 H new ATOM 0 HB2 PRO A 47 -10.040 15.295 9.117 1.00 9.45 H new ATOM 0 HB3 PRO A 47 -10.630 16.045 7.648 1.00 9.45 H new ATOM 0 HG2 PRO A 47 -7.865 16.087 8.818 1.00 8.81 H new ATOM 0 HG3 PRO A 47 -8.352 15.921 7.143 1.00 8.81 H new ATOM 0 HD2 PRO A 47 -7.490 18.305 8.259 1.00 8.26 H new ATOM 0 HD3 PRO A 47 -8.510 18.216 6.836 1.00 8.26 H new ATOM 704 N TYR A 48 -8.803 17.752 11.091 1.00 9.26 N ATOM 705 CA TYR A 48 -8.241 17.638 12.424 1.00 9.61 C ATOM 706 C TYR A 48 -8.750 18.779 13.300 1.00 9.96 C ATOM 707 O TYR A 48 -9.007 18.596 14.485 1.00 10.49 O ATOM 708 CB TYR A 48 -6.712 17.673 12.332 1.00 9.34 C ATOM 709 CG TYR A 48 -6.104 16.544 11.534 1.00 9.17 C ATOM 710 CD1 TYR A 48 -5.936 15.285 12.097 1.00 9.63 C ATOM 711 CD2 TYR A 48 -5.714 16.729 10.215 1.00 8.69 C ATOM 712 CE1 TYR A 48 -5.395 14.244 11.373 1.00 9.70 C ATOM 713 CE2 TYR A 48 -5.175 15.692 9.479 1.00 8.75 C ATOM 714 CZ TYR A 48 -4.953 14.481 10.071 1.00 9.30 C ATOM 715 OH TYR A 48 -4.488 13.417 9.328 1.00 9.57 O ATOM 0 H TYR A 48 -8.195 18.235 10.429 1.00 9.26 H new ATOM 0 HA TYR A 48 -8.549 16.694 12.874 1.00 9.61 H new ATOM 0 HB2 TYR A 48 -6.410 18.620 11.885 1.00 9.34 H new ATOM 0 HB3 TYR A 48 -6.300 17.650 13.341 1.00 9.34 H new ATOM 0 HD1 TYR A 48 -6.235 15.119 13.121 1.00 9.63 H new ATOM 0 HD2 TYR A 48 -5.834 17.700 9.757 1.00 8.69 H new ATOM 0 HE1 TYR A 48 -5.314 13.259 11.808 1.00 9.70 H new ATOM 0 HE2 TYR A 48 -4.930 15.838 8.437 1.00 8.75 H new ATOM 0 HH TYR A 48 -4.313 13.711 8.410 1.00 9.57 H new ATOM 725 N MET A 49 -8.846 19.964 12.704 1.00 9.74 N ATOM 726 CA MET A 49 -9.324 21.148 13.391 1.00 10.23 C ATOM 727 C MET A 49 -10.280 21.923 12.510 1.00 10.20 C ATOM 728 O MET A 49 -10.136 21.894 11.292 1.00 9.87 O ATOM 729 CB MET A 49 -8.158 22.051 13.756 1.00 10.28 C ATOM 730 CG MET A 49 -7.140 21.363 14.619 1.00 10.38 C ATOM 731 SD MET A 49 -5.486 21.295 13.900 1.00 10.09 S ATOM 732 CE MET A 49 -5.880 20.837 12.233 1.00 9.55 C ATOM 0 H MET A 49 -8.593 20.125 11.729 1.00 9.74 H new ATOM 0 HA MET A 49 -9.840 20.827 14.296 1.00 10.23 H new ATOM 0 HB2 MET A 49 -7.677 22.403 12.843 1.00 10.28 H new ATOM 0 HB3 MET A 49 -8.535 22.931 14.277 1.00 10.28 H new ATOM 0 HG2 MET A 49 -7.086 21.877 15.578 1.00 10.38 H new ATOM 0 HG3 MET A 49 -7.478 20.347 14.821 1.00 10.38 H new ATOM 0 HE1 MET A 49 -5.003 20.396 11.760 1.00 9.55 H new ATOM 0 HE2 MET A 49 -6.693 20.111 12.238 1.00 9.55 H new ATOM 0 HE3 MET A 49 -6.187 21.722 11.675 1.00 9.55 H new ATOM 742 N ASP A 50 -11.212 22.653 13.098 1.00 10.69 N ATOM 743 CA ASP A 50 -12.112 23.481 12.304 1.00 10.83 C ATOM 744 C ASP A 50 -11.441 24.779 11.876 1.00 10.64 C ATOM 745 O ASP A 50 -11.968 25.876 12.064 1.00 11.23 O ATOM 746 CB ASP A 50 -13.430 23.762 13.030 1.00 11.76 C ATOM 747 CG ASP A 50 -13.237 24.259 14.452 1.00 12.21 C ATOM 748 OD1 ASP A 50 -13.173 23.428 15.383 1.00 12.33 O1- ATOM 749 OD2 ASP A 50 -13.137 25.489 14.646 1.00 12.54 O ATOM 0 H ASP A 50 -11.367 22.692 14.105 1.00 10.69 H new ATOM 0 HA ASP A 50 -12.352 22.911 11.406 1.00 10.83 H new ATOM 0 HB2 ASP A 50 -13.996 24.504 12.467 1.00 11.76 H new ATOM 0 HB3 ASP A 50 -14.028 22.851 13.049 1.00 11.76 H new ATOM 754 N MET A 51 -10.288 24.642 11.264 1.00 9.87 N ATOM 755 CA MET A 51 -9.590 25.783 10.704 1.00 9.64 C ATOM 756 C MET A 51 -9.256 25.514 9.251 1.00 8.84 C ATOM 757 O MET A 51 -9.038 24.365 8.862 1.00 8.36 O ATOM 758 CB MET A 51 -8.320 26.123 11.498 1.00 9.70 C ATOM 759 CG MET A 51 -7.386 24.960 11.782 1.00 9.43 C ATOM 760 SD MET A 51 -5.920 25.517 12.672 1.00 9.38 S ATOM 761 CE MET A 51 -4.895 26.135 11.332 1.00 9.04 C ATOM 0 H MET A 51 -9.810 23.750 11.139 1.00 9.87 H new ATOM 0 HA MET A 51 -10.249 26.649 10.769 1.00 9.64 H new ATOM 0 HB2 MET A 51 -7.765 26.885 10.950 1.00 9.70 H new ATOM 0 HB3 MET A 51 -8.617 26.567 12.448 1.00 9.70 H new ATOM 0 HG2 MET A 51 -7.908 24.204 12.369 1.00 9.43 H new ATOM 0 HG3 MET A 51 -7.090 24.488 10.845 1.00 9.43 H new ATOM 0 HE1 MET A 51 -3.850 25.900 11.535 1.00 9.04 H new ATOM 0 HE2 MET A 51 -5.197 25.665 10.396 1.00 9.04 H new ATOM 0 HE3 MET A 51 -5.015 27.215 11.251 1.00 9.04 H new ATOM 771 N PRO A 52 -9.265 26.563 8.418 1.00 8.77 N ATOM 772 CA PRO A 52 -8.914 26.438 7.014 1.00 8.04 C ATOM 773 C PRO A 52 -7.433 26.154 6.866 1.00 7.35 C ATOM 774 O PRO A 52 -6.608 26.809 7.510 1.00 7.56 O ATOM 775 CB PRO A 52 -9.268 27.802 6.404 1.00 8.35 C ATOM 776 CG PRO A 52 -10.018 28.541 7.462 1.00 9.16 C ATOM 777 CD PRO A 52 -9.595 27.949 8.775 1.00 9.51 C ATOM 0 HA PRO A 52 -9.440 25.619 6.523 1.00 8.04 H new ATOM 0 HB2 PRO A 52 -8.369 28.344 6.112 1.00 8.35 H new ATOM 0 HB3 PRO A 52 -9.875 27.683 5.506 1.00 8.35 H new ATOM 0 HG2 PRO A 52 -9.792 29.607 7.426 1.00 9.16 H new ATOM 0 HG3 PRO A 52 -11.094 28.439 7.319 1.00 9.16 H new ATOM 0 HD2 PRO A 52 -8.737 28.473 9.197 1.00 9.51 H new ATOM 0 HD3 PRO A 52 -10.393 27.996 9.516 1.00 9.51 H new ATOM 785 N LEU A 53 -7.100 25.180 6.032 1.00 6.71 N ATOM 786 CA LEU A 53 -5.717 24.765 5.866 1.00 6.20 C ATOM 787 C LEU A 53 -4.863 25.929 5.380 1.00 5.97 C ATOM 788 O LEU A 53 -5.371 26.877 4.777 1.00 6.05 O ATOM 789 CB LEU A 53 -5.626 23.574 4.910 1.00 5.79 C ATOM 790 CG LEU A 53 -6.466 22.372 5.328 1.00 6.23 C ATOM 791 CD1 LEU A 53 -6.697 21.442 4.153 1.00 6.10 C ATOM 792 CD2 LEU A 53 -5.782 21.634 6.464 1.00 6.57 C ATOM 0 H LEU A 53 -7.769 24.663 5.461 1.00 6.71 H new ATOM 0 HA LEU A 53 -5.330 24.448 6.835 1.00 6.20 H new ATOM 0 HB2 LEU A 53 -5.940 23.895 3.917 1.00 5.79 H new ATOM 0 HB3 LEU A 53 -4.584 23.265 4.831 1.00 5.79 H new ATOM 0 HG LEU A 53 -7.437 22.728 5.672 1.00 6.23 H new ATOM 0 HD11 LEU A 53 -7.298 20.592 4.475 1.00 6.10 H new ATOM 0 HD12 LEU A 53 -7.221 21.978 3.362 1.00 6.10 H new ATOM 0 HD13 LEU A 53 -5.738 21.086 3.777 1.00 6.10 H new ATOM 0 HD21 LEU A 53 -6.388 20.777 6.758 1.00 6.57 H new ATOM 0 HD22 LEU A 53 -4.801 21.290 6.136 1.00 6.57 H new ATOM 0 HD23 LEU A 53 -5.665 22.304 7.315 1.00 6.57 H new ATOM 804 N ILE A 54 -3.576 25.856 5.632 1.00 5.92 N ATOM 805 CA ILE A 54 -2.688 26.956 5.329 1.00 5.98 C ATOM 806 C ILE A 54 -1.998 26.724 4.002 1.00 5.33 C ATOM 807 O ILE A 54 -1.500 25.630 3.723 1.00 5.16 O ATOM 808 CB ILE A 54 -1.640 27.148 6.439 1.00 6.77 C ATOM 809 CG1 ILE A 54 -2.335 27.464 7.764 1.00 7.56 C ATOM 810 CG2 ILE A 54 -0.651 28.252 6.082 1.00 7.04 C ATOM 811 CD1 ILE A 54 -3.170 28.724 7.732 1.00 7.89 C ATOM 0 H ILE A 54 -3.119 25.044 6.047 1.00 5.92 H new ATOM 0 HA ILE A 54 -3.289 27.863 5.267 1.00 5.98 H new ATOM 0 HB ILE A 54 -1.079 26.219 6.542 1.00 6.77 H new ATOM 0 HG12 ILE A 54 -2.973 26.624 8.038 1.00 7.56 H new ATOM 0 HG13 ILE A 54 -1.581 27.559 8.545 1.00 7.56 H new ATOM 0 HG21 ILE A 54 0.076 28.363 6.886 1.00 7.04 H new ATOM 0 HG22 ILE A 54 -0.134 27.992 5.158 1.00 7.04 H new ATOM 0 HG23 ILE A 54 -1.187 29.191 5.946 1.00 7.04 H new ATOM 0 HD11 ILE A 54 -3.630 28.880 8.708 1.00 7.89 H new ATOM 0 HD12 ILE A 54 -2.534 29.576 7.490 1.00 7.89 H new ATOM 0 HD13 ILE A 54 -3.948 28.626 6.975 1.00 7.89 H new ATOM 823 N PRO A 55 -2.015 27.733 3.143 1.00 5.13 N ATOM 824 CA PRO A 55 -1.341 27.667 1.868 1.00 4.65 C ATOM 825 C PRO A 55 0.134 28.046 1.949 1.00 5.10 C ATOM 826 O PRO A 55 0.574 28.761 2.853 1.00 5.77 O ATOM 827 CB PRO A 55 -2.115 28.667 1.026 1.00 4.51 C ATOM 828 CG PRO A 55 -2.589 29.696 2.000 1.00 5.22 C ATOM 829 CD PRO A 55 -2.740 29.004 3.327 1.00 5.58 C ATOM 0 HA PRO A 55 -1.331 26.655 1.462 1.00 4.65 H new ATOM 0 HB2 PRO A 55 -1.482 29.111 0.257 1.00 4.51 H new ATOM 0 HB3 PRO A 55 -2.951 28.191 0.515 1.00 4.51 H new ATOM 0 HG2 PRO A 55 -1.876 30.517 2.072 1.00 5.22 H new ATOM 0 HG3 PRO A 55 -3.538 30.125 1.678 1.00 5.22 H new ATOM 0 HD2 PRO A 55 -2.313 29.595 4.138 1.00 5.58 H new ATOM 0 HD3 PRO A 55 -3.788 28.835 3.574 1.00 5.58 H new ATOM 837 N VAL A 56 0.878 27.555 0.983 1.00 5.00 N ATOM 838 CA VAL A 56 2.308 27.793 0.874 1.00 5.69 C ATOM 839 C VAL A 56 2.594 29.085 0.118 1.00 5.96 C ATOM 840 O VAL A 56 1.754 29.584 -0.617 1.00 5.52 O ATOM 841 CB VAL A 56 2.993 26.611 0.171 1.00 5.77 C ATOM 842 CG1 VAL A 56 2.854 25.349 1.009 1.00 5.82 C ATOM 843 CG2 VAL A 56 2.390 26.447 -1.199 1.00 5.28 C ATOM 0 H VAL A 56 0.504 26.969 0.237 1.00 5.00 H new ATOM 0 HA VAL A 56 2.710 27.891 1.882 1.00 5.69 H new ATOM 0 HB VAL A 56 4.060 26.803 0.059 1.00 5.77 H new ATOM 0 HG11 VAL A 56 3.343 24.519 0.500 1.00 5.82 H new ATOM 0 HG12 VAL A 56 3.321 25.505 1.981 1.00 5.82 H new ATOM 0 HG13 VAL A 56 1.798 25.118 1.147 1.00 5.82 H new ATOM 0 HG21 VAL A 56 2.868 25.611 -1.709 1.00 5.28 H new ATOM 0 HG22 VAL A 56 1.322 26.252 -1.105 1.00 5.28 H new ATOM 0 HG23 VAL A 56 2.543 27.359 -1.776 1.00 5.28 H new ATOM 853 N TYR A 57 3.802 29.567 0.339 1.00 6.83 N ATOM 854 CA TYR A 57 4.375 30.827 -0.181 1.00 7.44 C ATOM 855 C TYR A 57 3.422 31.740 -0.965 1.00 7.10 C ATOM 856 O TYR A 57 3.060 32.810 -0.478 1.00 7.48 O ATOM 857 CB TYR A 57 5.602 30.487 -1.031 1.00 7.84 C ATOM 858 CG TYR A 57 5.596 29.052 -1.520 1.00 7.40 C ATOM 859 CD1 TYR A 57 4.941 28.698 -2.685 1.00 6.79 C ATOM 860 CD2 TYR A 57 6.229 28.049 -0.795 1.00 7.77 C ATOM 861 CE1 TYR A 57 4.918 27.396 -3.124 1.00 6.66 C ATOM 862 CE2 TYR A 57 6.215 26.738 -1.231 1.00 7.62 C ATOM 863 CZ TYR A 57 5.558 26.419 -2.399 1.00 7.11 C ATOM 864 OH TYR A 57 5.530 25.117 -2.836 1.00 7.23 O ATOM 0 H TYR A 57 4.468 29.065 0.926 1.00 6.83 H new ATOM 0 HA TYR A 57 4.630 31.418 0.699 1.00 7.44 H new ATOM 0 HB2 TYR A 57 5.642 31.159 -1.889 1.00 7.84 H new ATOM 0 HB3 TYR A 57 6.504 30.663 -0.446 1.00 7.84 H new ATOM 0 HD1 TYR A 57 4.437 29.460 -3.261 1.00 6.79 H new ATOM 0 HD2 TYR A 57 6.740 28.298 0.123 1.00 7.77 H new ATOM 0 HE1 TYR A 57 4.399 27.141 -4.036 1.00 6.66 H new ATOM 0 HE2 TYR A 57 6.715 25.969 -0.661 1.00 7.62 H new ATOM 0 HH TYR A 57 6.344 24.656 -2.543 1.00 7.23 H new ATOM 874 N GLU A 58 3.037 31.346 -2.167 1.00 6.59 N ATOM 875 CA GLU A 58 2.279 32.222 -3.054 1.00 6.41 C ATOM 876 C GLU A 58 0.905 32.522 -2.470 1.00 6.15 C ATOM 877 O GLU A 58 0.403 33.649 -2.518 1.00 6.62 O ATOM 878 CB GLU A 58 2.161 31.564 -4.427 1.00 5.89 C ATOM 879 CG GLU A 58 0.817 30.934 -4.744 1.00 5.18 C ATOM 880 CD GLU A 58 0.783 30.365 -6.147 1.00 5.25 C ATOM 881 OE1 GLU A 58 1.249 31.053 -7.075 1.00 5.61 O1- ATOM 882 OE2 GLU A 58 0.298 29.230 -6.324 1.00 5.25 O ATOM 0 H GLU A 58 3.236 30.424 -2.555 1.00 6.59 H new ATOM 0 HA GLU A 58 2.803 33.172 -3.159 1.00 6.41 H new ATOM 0 HB2 GLU A 58 2.378 32.313 -5.188 1.00 5.89 H new ATOM 0 HB3 GLU A 58 2.930 30.795 -4.508 1.00 5.89 H new ATOM 0 HG2 GLU A 58 0.607 30.142 -4.025 1.00 5.18 H new ATOM 0 HG3 GLU A 58 0.030 31.680 -4.635 1.00 5.18 H new ATOM 889 N GLU A 59 0.361 31.464 -1.885 1.00 5.59 N ATOM 890 CA GLU A 59 -0.932 31.432 -1.199 1.00 5.52 C ATOM 891 C GLU A 59 -2.009 32.241 -1.880 1.00 5.43 C ATOM 892 O GLU A 59 -2.829 32.879 -1.220 1.00 6.06 O ATOM 893 CB GLU A 59 -0.798 31.825 0.277 1.00 6.40 C ATOM 894 CG GLU A 59 -0.224 33.207 0.538 1.00 6.94 C ATOM 895 CD GLU A 59 -0.299 33.579 2.002 1.00 7.89 C ATOM 896 OE1 GLU A 59 -1.330 34.140 2.429 1.00 8.12 O ATOM 897 OE2 GLU A 59 0.684 33.333 2.730 1.00 8.58 O1- ATOM 0 H GLU A 59 0.829 30.558 -1.873 1.00 5.59 H new ATOM 0 HA GLU A 59 -1.260 30.394 -1.254 1.00 5.52 H new ATOM 0 HB2 GLU A 59 -1.783 31.766 0.741 1.00 6.40 H new ATOM 0 HB3 GLU A 59 -0.167 31.089 0.775 1.00 6.40 H new ATOM 0 HG2 GLU A 59 0.814 33.238 0.208 1.00 6.94 H new ATOM 0 HG3 GLU A 59 -0.768 33.944 -0.053 1.00 6.94 H new ATOM 1187 N ARG A 80 3.634 1.649 -6.424 1.00 8.26 N ATOM 1188 CA ARG A 80 3.693 1.079 -5.082 1.00 8.04 C ATOM 1189 C ARG A 80 4.574 1.893 -4.131 1.00 7.16 C ATOM 1190 O ARG A 80 5.272 2.819 -4.530 1.00 6.61 O ATOM 1191 CB ARG A 80 4.267 -0.333 -5.187 1.00 8.39 C ATOM 1192 CG ARG A 80 3.981 -1.232 -3.991 1.00 8.96 C ATOM 1193 CD ARG A 80 2.496 -1.532 -3.870 1.00 9.63 C ATOM 1194 NE ARG A 80 2.178 -2.251 -2.639 1.00 10.25 N ATOM 1195 CZ ARG A 80 0.976 -2.751 -2.365 1.00 10.94 C ATOM 1196 NH1 ARG A 80 -0.015 -2.630 -3.242 1.00 11.11 N1+ ATOM 1197 NH2 ARG A 80 0.767 -3.380 -1.217 1.00 11.64 N ATOM 0 HA ARG A 80 2.682 1.081 -4.675 1.00 8.04 H new ATOM 0 HB2 ARG A 80 3.866 -0.807 -6.083 1.00 8.39 H new ATOM 0 HB3 ARG A 80 5.347 -0.262 -5.320 1.00 8.39 H new ATOM 0 HG2 ARG A 80 4.536 -2.165 -4.093 1.00 8.96 H new ATOM 0 HG3 ARG A 80 4.333 -0.750 -3.079 1.00 8.96 H new ATOM 0 HD2 ARG A 80 1.935 -0.598 -3.899 1.00 9.63 H new ATOM 0 HD3 ARG A 80 2.175 -2.123 -4.728 1.00 9.63 H new ATOM 0 HE ARG A 80 2.920 -2.377 -1.950 1.00 10.25 H new ATOM 0 HH11 ARG A 80 0.144 -2.152 -4.129 1.00 11.11 H new ATOM 0 HH12 ARG A 80 -0.935 -3.015 -3.028 1.00 11.11 H new ATOM 0 HH21 ARG A 80 1.527 -3.480 -0.545 1.00 11.64 H new ATOM 0 HH22 ARG A 80 -0.154 -3.764 -1.006 1.00 11.64 H new ATOM 1211 N THR A 81 4.526 1.510 -2.868 1.00 7.24 N ATOM 1212 CA THR A 81 5.424 2.005 -1.858 1.00 6.59 C ATOM 1213 C THR A 81 6.409 0.899 -1.521 1.00 6.82 C ATOM 1214 O THR A 81 6.032 -0.270 -1.446 1.00 7.73 O ATOM 1215 CB THR A 81 4.651 2.399 -0.586 1.00 6.98 C ATOM 1216 OG1 THR A 81 3.748 1.349 -0.219 1.00 8.00 O ATOM 1217 CG2 THR A 81 3.875 3.682 -0.791 1.00 7.05 C ATOM 0 H THR A 81 3.848 0.834 -2.516 1.00 7.24 H new ATOM 0 HA THR A 81 5.941 2.888 -2.233 1.00 6.59 H new ATOM 0 HB THR A 81 5.376 2.559 0.212 1.00 6.98 H new ATOM 0 HG1 THR A 81 3.150 1.665 0.491 1.00 8.00 H new ATOM 0 HG21 THR A 81 3.340 3.934 0.125 1.00 7.05 H new ATOM 0 HG22 THR A 81 4.564 4.488 -1.042 1.00 7.05 H new ATOM 0 HG23 THR A 81 3.161 3.549 -1.604 1.00 7.05 H new ATOM 1225 N ALA A 82 7.661 1.251 -1.342 1.00 6.18 N ATOM 1226 CA ALA A 82 8.673 0.256 -1.063 1.00 6.65 C ATOM 1227 C ALA A 82 9.101 0.358 0.391 1.00 6.65 C ATOM 1228 O ALA A 82 9.421 1.441 0.876 1.00 5.88 O ATOM 1229 CB ALA A 82 9.851 0.422 -2.012 1.00 6.36 C ATOM 0 H ALA A 82 8.003 2.211 -1.384 1.00 6.18 H new ATOM 0 HA ALA A 82 8.262 -0.741 -1.225 1.00 6.65 H new ATOM 0 HB1 ALA A 82 10.605 -0.333 -1.791 1.00 6.36 H new ATOM 0 HB2 ALA A 82 9.509 0.304 -3.040 1.00 6.36 H new ATOM 0 HB3 ALA A 82 10.283 1.415 -1.885 1.00 6.36 H new ATOM 1235 N GLU A 83 9.066 -0.761 1.090 1.00 7.70 N ATOM 1236 CA GLU A 83 9.386 -0.790 2.501 1.00 8.10 C ATOM 1237 C GLU A 83 10.894 -0.849 2.710 1.00 7.90 C ATOM 1238 O GLU A 83 11.612 -1.523 1.971 1.00 8.21 O ATOM 1239 CB GLU A 83 8.691 -1.977 3.169 1.00 9.47 C ATOM 1240 CG GLU A 83 8.851 -2.021 4.679 1.00 10.14 C ATOM 1241 CD GLU A 83 8.084 -3.163 5.309 1.00 11.52 C ATOM 1242 OE1 GLU A 83 8.527 -4.322 5.183 1.00 12.15 O ATOM 1243 OE2 GLU A 83 7.037 -2.909 5.934 1.00 12.06 O1- ATOM 0 H GLU A 83 8.816 -1.669 0.697 1.00 7.70 H new ATOM 0 HA GLU A 83 9.023 0.128 2.964 1.00 8.10 H new ATOM 0 HB2 GLU A 83 7.628 -1.945 2.928 1.00 9.47 H new ATOM 0 HB3 GLU A 83 9.086 -2.901 2.746 1.00 9.47 H new ATOM 0 HG2 GLU A 83 9.908 -2.117 4.927 1.00 10.14 H new ATOM 0 HG3 GLU A 83 8.508 -1.078 5.105 1.00 10.14 H new ATOM 1250 N VAL A 84 11.355 -0.118 3.709 1.00 7.58 N ATOM 1251 CA VAL A 84 12.770 -0.035 4.040 1.00 7.50 C ATOM 1252 C VAL A 84 13.334 -1.374 4.458 1.00 8.74 C ATOM 1253 O VAL A 84 12.777 -2.065 5.313 1.00 9.71 O ATOM 1254 CB VAL A 84 13.015 0.995 5.157 1.00 7.28 C ATOM 1255 CG1 VAL A 84 14.458 0.956 5.635 1.00 7.49 C ATOM 1256 CG2 VAL A 84 12.652 2.386 4.670 1.00 6.28 C ATOM 0 H VAL A 84 10.756 0.439 4.318 1.00 7.58 H new ATOM 0 HA VAL A 84 13.284 0.285 3.134 1.00 7.50 H new ATOM 0 HB VAL A 84 12.378 0.739 6.004 1.00 7.28 H new ATOM 0 HG11 VAL A 84 14.600 1.695 6.424 1.00 7.49 H new ATOM 0 HG12 VAL A 84 14.686 -0.037 6.022 1.00 7.49 H new ATOM 0 HG13 VAL A 84 15.123 1.182 4.802 1.00 7.49 H new ATOM 0 HG21 VAL A 84 12.829 3.108 5.467 1.00 6.28 H new ATOM 0 HG22 VAL A 84 13.266 2.641 3.807 1.00 6.28 H new ATOM 0 HG23 VAL A 84 11.600 2.409 4.386 1.00 6.28 H new ATOM 1266 N LYS A 85 14.457 -1.711 3.845 1.00 8.82 N ATOM 1267 CA LYS A 85 15.131 -2.975 4.079 1.00 10.03 C ATOM 1268 C LYS A 85 16.618 -2.734 4.189 1.00 10.02 C ATOM 1269 O LYS A 85 17.130 -1.765 3.643 1.00 9.25 O ATOM 1270 CB LYS A 85 14.891 -3.941 2.916 1.00 10.75 C ATOM 1271 CG LYS A 85 13.438 -4.077 2.531 1.00 10.58 C ATOM 1272 CD LYS A 85 12.622 -4.672 3.658 1.00 11.03 C ATOM 1273 CE LYS A 85 11.150 -4.425 3.440 1.00 10.50 C ATOM 1274 NZ LYS A 85 10.634 -5.130 2.237 1.00 11.02 N1+ ATOM 0 H LYS A 85 14.928 -1.111 3.168 1.00 8.82 H new ATOM 0 HA LYS A 85 14.737 -3.408 4.998 1.00 10.03 H new ATOM 0 HB2 LYS A 85 15.457 -3.600 2.049 1.00 10.75 H new ATOM 0 HB3 LYS A 85 15.280 -4.923 3.185 1.00 10.75 H new ATOM 0 HG2 LYS A 85 13.037 -3.099 2.266 1.00 10.58 H new ATOM 0 HG3 LYS A 85 13.352 -4.707 1.646 1.00 10.58 H new ATOM 0 HD2 LYS A 85 12.810 -5.744 3.723 1.00 11.03 H new ATOM 0 HD3 LYS A 85 12.932 -4.236 4.608 1.00 11.03 H new ATOM 0 HE2 LYS A 85 10.594 -4.754 4.318 1.00 10.50 H new ATOM 0 HE3 LYS A 85 10.975 -3.354 3.335 1.00 10.50 H new ATOM 0 HZ1 LYS A 85 9.609 -4.973 2.155 1.00 11.02 H new ATOM 0 HZ2 LYS A 85 11.109 -4.762 1.388 1.00 11.02 H new ATOM 0 HZ3 LYS A 85 10.822 -6.149 2.325 1.00 11.02 H new ATOM 1288 N LEU A 86 17.302 -3.595 4.900 1.00 10.96 N ATOM 1289 CA LEU A 86 18.758 -3.600 4.857 1.00 11.21 C ATOM 1290 C LEU A 86 19.236 -4.408 3.653 1.00 11.85 C ATOM 1291 O LEU A 86 18.551 -5.327 3.198 1.00 12.43 O ATOM 1292 CB LEU A 86 19.388 -4.139 6.151 1.00 12.08 C ATOM 1293 CG LEU A 86 19.423 -3.160 7.330 1.00 11.90 C ATOM 1294 CD1 LEU A 86 18.025 -2.881 7.862 1.00 11.97 C ATOM 1295 CD2 LEU A 86 20.317 -3.701 8.433 1.00 12.76 C ATOM 0 H LEU A 86 16.887 -4.298 5.512 1.00 10.96 H new ATOM 0 HA LEU A 86 19.085 -2.565 4.759 1.00 11.21 H new ATOM 0 HB2 LEU A 86 18.839 -5.029 6.458 1.00 12.08 H new ATOM 0 HB3 LEU A 86 20.409 -4.454 5.933 1.00 12.08 H new ATOM 0 HG LEU A 86 19.834 -2.216 6.973 1.00 11.90 H new ATOM 0 HD11 LEU A 86 18.086 -2.183 8.697 1.00 11.97 H new ATOM 0 HD12 LEU A 86 17.414 -2.447 7.070 1.00 11.97 H new ATOM 0 HD13 LEU A 86 17.572 -3.813 8.200 1.00 11.97 H new ATOM 0 HD21 LEU A 86 20.334 -2.997 9.265 1.00 12.76 H new ATOM 0 HD22 LEU A 86 19.930 -4.660 8.777 1.00 12.76 H new ATOM 0 HD23 LEU A 86 21.328 -3.834 8.049 1.00 12.76 H new ATOM 1307 N GLY A 87 20.409 -4.059 3.144 1.00 11.89 N ATOM 1308 CA GLY A 87 20.971 -4.755 1.997 1.00 12.65 C ATOM 1309 C GLY A 87 22.310 -4.185 1.608 1.00 12.97 C ATOM 1310 O GLY A 87 22.610 -3.994 0.432 1.00 13.25 O ATOM 0 H GLY A 87 20.988 -3.301 3.506 1.00 11.89 H new ATOM 0 HA2 GLY A 87 21.079 -5.814 2.230 1.00 12.65 H new ATOM 0 HA3 GLY A 87 20.284 -4.682 1.154 1.00 12.65 H new ATOM 1389 N GLU A 93 25.785 -1.279 7.541 1.00 12.87 N ATOM 1390 CA GLU A 93 24.382 -1.579 7.332 1.00 12.37 C ATOM 1391 C GLU A 93 23.622 -0.345 6.921 1.00 11.13 C ATOM 1392 O GLU A 93 23.608 0.662 7.624 1.00 10.78 O ATOM 1393 CB GLU A 93 23.743 -2.214 8.551 1.00 13.03 C ATOM 1394 CG GLU A 93 23.893 -3.719 8.560 1.00 13.80 C ATOM 1395 CD GLU A 93 24.996 -4.192 9.483 1.00 14.57 C ATOM 1396 OE1 GLU A 93 24.970 -3.829 10.678 1.00 14.92 O1- ATOM 1397 OE2 GLU A 93 25.901 -4.917 9.027 1.00 14.94 O ATOM 0 HA GLU A 93 24.332 -2.307 6.522 1.00 12.37 H new ATOM 0 HB2 GLU A 93 24.196 -1.801 9.452 1.00 13.03 H new ATOM 0 HB3 GLU A 93 22.684 -1.957 8.579 1.00 13.03 H new ATOM 0 HG2 GLU A 93 22.950 -4.172 8.866 1.00 13.80 H new ATOM 0 HG3 GLU A 93 24.099 -4.065 7.547 1.00 13.80 H new ATOM 1404 N ARG A 94 22.999 -0.435 5.762 1.00 10.57 N ATOM 1405 CA ARG A 94 22.273 0.687 5.197 1.00 9.39 C ATOM 1406 C ARG A 94 20.883 0.260 4.749 1.00 8.96 C ATOM 1407 O ARG A 94 20.638 -0.919 4.475 1.00 9.64 O ATOM 1408 CB ARG A 94 23.024 1.306 4.014 1.00 9.13 C ATOM 1409 CG ARG A 94 24.447 1.746 4.328 1.00 9.07 C ATOM 1410 CD ARG A 94 24.485 2.874 5.344 1.00 9.14 C ATOM 1411 NE ARG A 94 25.845 3.344 5.599 1.00 9.49 N ATOM 1412 CZ ARG A 94 26.169 4.206 6.565 1.00 9.84 C ATOM 1413 NH1 ARG A 94 25.240 4.652 7.408 1.00 9.96 N1+ ATOM 1414 NH2 ARG A 94 27.426 4.611 6.701 1.00 10.27 N ATOM 0 H ARG A 94 22.981 -1.279 5.190 1.00 10.57 H new ATOM 0 HA ARG A 94 22.184 1.439 5.981 1.00 9.39 H new ATOM 0 HB2 ARG A 94 23.053 0.582 3.200 1.00 9.13 H new ATOM 0 HB3 ARG A 94 22.462 2.168 3.654 1.00 9.13 H new ATOM 0 HG2 ARG A 94 25.013 0.896 4.709 1.00 9.07 H new ATOM 0 HG3 ARG A 94 24.937 2.069 3.410 1.00 9.07 H new ATOM 0 HD2 ARG A 94 23.877 3.704 4.985 1.00 9.14 H new ATOM 0 HD3 ARG A 94 24.039 2.534 6.279 1.00 9.14 H new ATOM 0 HE ARG A 94 26.593 2.991 5.002 1.00 9.49 H new ATOM 0 HH11 ARG A 94 24.275 4.335 7.317 1.00 9.96 H new ATOM 0 HH12 ARG A 94 25.494 5.311 8.144 1.00 9.96 H new ATOM 0 HH21 ARG A 94 28.145 4.263 6.067 1.00 10.27 H new ATOM 0 HH22 ARG A 94 27.672 5.270 7.440 1.00 10.27 H new ATOM 1428 N LEU A 95 19.996 1.229 4.691 1.00 7.97 N ATOM 1429 CA LEU A 95 18.622 1.036 4.279 1.00 7.54 C ATOM 1430 C LEU A 95 18.497 1.158 2.757 1.00 6.99 C ATOM 1431 O LEU A 95 18.724 2.219 2.191 1.00 6.27 O ATOM 1432 CB LEU A 95 17.785 2.128 4.946 1.00 6.93 C ATOM 1433 CG LEU A 95 17.712 2.099 6.484 1.00 7.79 C ATOM 1434 CD1 LEU A 95 19.057 2.390 7.139 1.00 8.88 C ATOM 1435 CD2 LEU A 95 16.690 3.105 6.968 1.00 7.89 C ATOM 0 H LEU A 95 20.215 2.195 4.934 1.00 7.97 H new ATOM 0 HA LEU A 95 18.279 0.043 4.571 1.00 7.54 H new ATOM 0 HB2 LEU A 95 18.184 3.096 4.642 1.00 6.93 H new ATOM 0 HB3 LEU A 95 16.769 2.065 4.556 1.00 6.93 H new ATOM 0 HG LEU A 95 17.418 1.090 6.772 1.00 7.79 H new ATOM 0 HD11 LEU A 95 18.948 2.357 8.223 1.00 8.88 H new ATOM 0 HD12 LEU A 95 19.784 1.642 6.824 1.00 8.88 H new ATOM 0 HD13 LEU A 95 19.401 3.380 6.839 1.00 8.88 H new ATOM 0 HD21 LEU A 95 16.642 3.080 8.057 1.00 7.89 H new ATOM 0 HD22 LEU A 95 16.979 4.104 6.640 1.00 7.89 H new ATOM 0 HD23 LEU A 95 15.712 2.857 6.556 1.00 7.89 H new ATOM 1447 N LEU A 96 18.138 0.069 2.102 1.00 7.59 N ATOM 1448 CA LEU A 96 18.023 0.053 0.650 1.00 7.52 C ATOM 1449 C LEU A 96 16.627 0.466 0.214 1.00 6.76 C ATOM 1450 O LEU A 96 15.631 -0.063 0.710 1.00 6.96 O ATOM 1451 CB LEU A 96 18.349 -1.337 0.089 1.00 8.83 C ATOM 1452 CG LEU A 96 19.826 -1.595 -0.230 1.00 9.65 C ATOM 1453 CD1 LEU A 96 20.285 -0.715 -1.382 1.00 9.37 C ATOM 1454 CD2 LEU A 96 20.697 -1.367 0.998 1.00 9.78 C ATOM 0 H LEU A 96 17.920 -0.820 2.552 1.00 7.59 H new ATOM 0 HA LEU A 96 18.743 0.769 0.255 1.00 7.52 H new ATOM 0 HB2 LEU A 96 18.015 -2.086 0.807 1.00 8.83 H new ATOM 0 HB3 LEU A 96 17.768 -1.487 -0.821 1.00 8.83 H new ATOM 0 HG LEU A 96 19.930 -2.638 -0.529 1.00 9.65 H new ATOM 0 HD11 LEU A 96 21.336 -0.912 -1.594 1.00 9.37 H new ATOM 0 HD12 LEU A 96 19.689 -0.935 -2.268 1.00 9.37 H new ATOM 0 HD13 LEU A 96 20.160 0.333 -1.111 1.00 9.37 H new ATOM 0 HD21 LEU A 96 21.740 -1.557 0.745 1.00 9.78 H new ATOM 0 HD22 LEU A 96 20.587 -0.336 1.336 1.00 9.78 H new ATOM 0 HD23 LEU A 96 20.388 -2.044 1.794 1.00 9.78 H new ATOM 1466 N VAL A 97 16.577 1.399 -0.728 1.00 6.13 N ATOM 1467 CA VAL A 97 15.324 1.927 -1.253 1.00 5.45 C ATOM 1468 C VAL A 97 15.467 2.214 -2.741 1.00 5.86 C ATOM 1469 O VAL A 97 16.571 2.469 -3.218 1.00 6.40 O ATOM 1470 CB VAL A 97 14.917 3.244 -0.547 1.00 4.23 C ATOM 1471 CG1 VAL A 97 14.668 3.031 0.939 1.00 4.19 C ATOM 1472 CG2 VAL A 97 15.981 4.307 -0.770 1.00 4.01 C ATOM 0 H VAL A 97 17.408 1.813 -1.151 1.00 6.13 H new ATOM 0 HA VAL A 97 14.556 1.175 -1.073 1.00 5.45 H new ATOM 0 HB VAL A 97 13.980 3.586 -0.986 1.00 4.23 H new ATOM 0 HG11 VAL A 97 14.385 3.977 1.400 1.00 4.19 H new ATOM 0 HG12 VAL A 97 13.864 2.307 1.073 1.00 4.19 H new ATOM 0 HG13 VAL A 97 15.577 2.656 1.410 1.00 4.19 H new ATOM 0 HG21 VAL A 97 15.685 5.229 -0.269 1.00 4.01 H new ATOM 0 HG22 VAL A 97 16.931 3.962 -0.362 1.00 4.01 H new ATOM 0 HG23 VAL A 97 16.091 4.493 -1.838 1.00 4.01 H new ATOM 1482 N PRO A 98 14.365 2.167 -3.502 1.00 5.92 N ATOM 1483 CA PRO A 98 14.367 2.597 -4.899 1.00 6.55 C ATOM 1484 C PRO A 98 14.857 4.037 -5.010 1.00 6.22 C ATOM 1485 O PRO A 98 14.306 4.944 -4.388 1.00 5.29 O ATOM 1486 CB PRO A 98 12.897 2.499 -5.312 1.00 6.53 C ATOM 1487 CG PRO A 98 12.286 1.536 -4.356 1.00 6.39 C ATOM 1488 CD PRO A 98 13.042 1.687 -3.066 1.00 5.71 C ATOM 0 HA PRO A 98 15.024 1.996 -5.528 1.00 6.55 H new ATOM 0 HB2 PRO A 98 12.407 3.471 -5.258 1.00 6.53 H new ATOM 0 HB3 PRO A 98 12.799 2.149 -6.340 1.00 6.53 H new ATOM 0 HG2 PRO A 98 11.227 1.749 -4.213 1.00 6.39 H new ATOM 0 HG3 PRO A 98 12.358 0.516 -4.732 1.00 6.39 H new ATOM 0 HD2 PRO A 98 12.557 2.397 -2.396 1.00 5.71 H new ATOM 0 HD3 PRO A 98 13.114 0.741 -2.529 1.00 5.71 H new ATOM 1496 N SER A 99 15.914 4.224 -5.794 1.00 7.21 N ATOM 1497 CA SER A 99 16.713 5.445 -5.757 1.00 7.37 C ATOM 1498 C SER A 99 15.918 6.685 -6.152 1.00 7.21 C ATOM 1499 O SER A 99 16.290 7.800 -5.784 1.00 7.21 O ATOM 1500 CB SER A 99 17.935 5.291 -6.667 1.00 8.73 C ATOM 1501 OG SER A 99 17.554 4.948 -7.990 1.00 9.29 O ATOM 0 H SER A 99 16.241 3.535 -6.472 1.00 7.21 H new ATOM 0 HA SER A 99 17.031 5.591 -4.725 1.00 7.37 H new ATOM 0 HB2 SER A 99 18.501 6.222 -6.679 1.00 8.73 H new ATOM 0 HB3 SER A 99 18.595 4.522 -6.266 1.00 8.73 H new ATOM 0 HG SER A 99 17.596 3.975 -8.101 1.00 9.29 H new ATOM 1507 N GLU A 100 14.834 6.496 -6.896 1.00 7.31 N ATOM 1508 CA GLU A 100 14.015 7.615 -7.344 1.00 7.41 C ATOM 1509 C GLU A 100 12.897 7.913 -6.349 1.00 6.33 C ATOM 1510 O GLU A 100 12.169 8.893 -6.522 1.00 6.56 O ATOM 1511 CB GLU A 100 13.430 7.337 -8.731 1.00 8.22 C ATOM 1512 CG GLU A 100 14.485 7.074 -9.793 1.00 9.47 C ATOM 1513 CD GLU A 100 13.890 6.589 -11.097 1.00 10.34 C ATOM 1514 OE1 GLU A 100 13.588 5.383 -11.209 1.00 10.86 O ATOM 1515 OE2 GLU A 100 13.720 7.414 -12.021 1.00 10.65 O1- ATOM 0 H GLU A 100 14.503 5.581 -7.201 1.00 7.31 H new ATOM 0 HA GLU A 100 14.658 8.493 -7.406 1.00 7.41 H new ATOM 0 HB2 GLU A 100 12.765 6.476 -8.670 1.00 8.22 H new ATOM 0 HB3 GLU A 100 12.822 8.188 -9.037 1.00 8.22 H new ATOM 0 HG2 GLU A 100 15.049 7.989 -9.974 1.00 9.47 H new ATOM 0 HG3 GLU A 100 15.192 6.332 -9.422 1.00 9.47 H new ATOM 1522 N ALA A 101 12.757 7.099 -5.317 1.00 5.34 N ATOM 1523 CA ALA A 101 11.713 7.328 -4.326 1.00 4.45 C ATOM 1524 C ALA A 101 12.053 8.535 -3.465 1.00 4.45 C ATOM 1525 O ALA A 101 11.194 9.370 -3.160 1.00 4.62 O ATOM 1526 CB ALA A 101 11.521 6.095 -3.455 1.00 3.75 C ATOM 0 H ALA A 101 13.343 6.283 -5.142 1.00 5.34 H new ATOM 0 HA ALA A 101 10.779 7.527 -4.852 1.00 4.45 H new ATOM 0 HB1 ALA A 101 10.738 6.286 -2.722 1.00 3.75 H new ATOM 0 HB2 ALA A 101 11.235 5.249 -4.080 1.00 3.75 H new ATOM 0 HB3 ALA A 101 12.453 5.866 -2.939 1.00 3.75 H new ATOM 1532 N LEU A 102 13.323 8.632 -3.106 1.00 4.73 N ATOM 1533 CA LEU A 102 13.788 9.684 -2.221 1.00 5.07 C ATOM 1534 C LEU A 102 13.957 11.003 -2.965 1.00 6.33 C ATOM 1535 O LEU A 102 14.071 11.029 -4.194 1.00 6.97 O ATOM 1536 CB LEU A 102 15.090 9.260 -1.527 1.00 4.90 C ATOM 1537 CG LEU A 102 16.200 8.723 -2.447 1.00 5.36 C ATOM 1538 CD1 LEU A 102 16.873 9.845 -3.211 1.00 6.64 C ATOM 1539 CD2 LEU A 102 17.232 7.961 -1.639 1.00 4.98 C ATOM 0 H LEU A 102 14.053 7.990 -3.417 1.00 4.73 H new ATOM 0 HA LEU A 102 13.030 9.845 -1.454 1.00 5.07 H new ATOM 0 HB2 LEU A 102 15.482 10.117 -0.979 1.00 4.90 H new ATOM 0 HB3 LEU A 102 14.853 8.492 -0.791 1.00 4.90 H new ATOM 0 HG LEU A 102 15.737 8.049 -3.167 1.00 5.36 H new ATOM 0 HD11 LEU A 102 17.652 9.433 -3.852 1.00 6.64 H new ATOM 0 HD12 LEU A 102 16.135 10.362 -3.824 1.00 6.64 H new ATOM 0 HD13 LEU A 102 17.317 10.549 -2.507 1.00 6.64 H new ATOM 0 HD21 LEU A 102 18.011 7.587 -2.304 1.00 4.98 H new ATOM 0 HD22 LEU A 102 17.676 8.625 -0.897 1.00 4.98 H new ATOM 0 HD23 LEU A 102 16.752 7.122 -1.134 1.00 4.98 H new ATOM 1551 N ILE A 103 13.979 12.095 -2.222 1.00 6.87 N ATOM 1552 CA ILE A 103 14.194 13.407 -2.809 1.00 8.18 C ATOM 1553 C ILE A 103 15.465 14.021 -2.283 1.00 8.75 C ATOM 1554 O ILE A 103 15.492 14.518 -1.169 1.00 8.67 O ATOM 1555 CB ILE A 103 13.055 14.399 -2.487 1.00 8.80 C ATOM 1556 CG1 ILE A 103 11.670 13.816 -2.796 1.00 8.52 C ATOM 1557 CG2 ILE A 103 13.281 15.708 -3.232 1.00 10.20 C ATOM 1558 CD1 ILE A 103 11.529 13.247 -4.196 1.00 8.14 C ATOM 0 H ILE A 103 13.851 12.100 -1.210 1.00 6.87 H new ATOM 0 HA ILE A 103 14.241 13.242 -3.885 1.00 8.18 H new ATOM 0 HB ILE A 103 13.075 14.593 -1.415 1.00 8.80 H new ATOM 0 HG12 ILE A 103 11.450 13.030 -2.073 1.00 8.52 H new ATOM 0 HG13 ILE A 103 10.921 14.596 -2.656 1.00 8.52 H new ATOM 0 HG21 ILE A 103 12.474 16.403 -3.000 1.00 10.20 H new ATOM 0 HG22 ILE A 103 14.233 16.142 -2.925 1.00 10.20 H new ATOM 0 HG23 ILE A 103 13.299 15.518 -4.305 1.00 10.20 H new ATOM 0 HD11 ILE A 103 10.520 12.856 -4.330 1.00 8.14 H new ATOM 0 HD12 ILE A 103 11.714 14.033 -4.928 1.00 8.14 H new ATOM 0 HD13 ILE A 103 12.251 12.443 -4.336 1.00 8.14 H new ATOM 1570 N ARG A 104 16.516 14.024 -3.062 1.00 9.50 N ATOM 1571 CA ARG A 104 17.696 14.717 -2.621 1.00 10.25 C ATOM 1572 C ARG A 104 18.002 15.914 -3.487 1.00 11.48 C ATOM 1573 O ARG A 104 18.630 15.823 -4.538 1.00 12.12 O ATOM 1574 CB ARG A 104 18.896 13.798 -2.428 1.00 10.50 C ATOM 1575 CG ARG A 104 18.916 12.593 -3.327 1.00 9.82 C ATOM 1576 CD ARG A 104 19.252 12.965 -4.741 1.00 9.98 C ATOM 1577 NE ARG A 104 19.308 11.791 -5.610 1.00 10.43 N ATOM 1578 CZ ARG A 104 18.598 11.649 -6.729 1.00 10.83 C ATOM 1579 NH1 ARG A 104 17.791 12.619 -7.142 1.00 10.83 N1+ ATOM 1580 NH2 ARG A 104 18.694 10.532 -7.438 1.00 11.42 N ATOM 0 H ARG A 104 16.580 13.571 -3.974 1.00 9.50 H new ATOM 0 HA ARG A 104 17.472 15.102 -1.626 1.00 10.25 H new ATOM 0 HB2 ARG A 104 19.807 14.373 -2.594 1.00 10.50 H new ATOM 0 HB3 ARG A 104 18.916 13.461 -1.391 1.00 10.50 H new ATOM 0 HG2 ARG A 104 19.646 11.874 -2.956 1.00 9.82 H new ATOM 0 HG3 ARG A 104 17.943 12.102 -3.301 1.00 9.82 H new ATOM 0 HD2 ARG A 104 18.506 13.663 -5.121 1.00 9.98 H new ATOM 0 HD3 ARG A 104 20.212 13.481 -4.763 1.00 9.98 H new ATOM 0 HE ARG A 104 19.932 11.030 -5.342 1.00 10.43 H new ATOM 0 HH11 ARG A 104 17.711 13.481 -6.602 1.00 10.83 H new ATOM 0 HH12 ARG A 104 17.251 12.503 -7.999 1.00 10.83 H new ATOM 0 HH21 ARG A 104 19.311 9.782 -7.127 1.00 11.42 H new ATOM 0 HH22 ARG A 104 18.151 10.423 -8.294 1.00 11.42 H new ATOM 1594 N THR A 105 17.527 17.043 -3.018 1.00 11.91 N ATOM 1595 CA THR A 105 17.772 18.308 -3.658 1.00 13.15 C ATOM 1596 C THR A 105 18.829 19.074 -2.868 1.00 13.72 C ATOM 1597 O THR A 105 18.815 19.086 -1.631 1.00 13.20 O ATOM 1598 CB THR A 105 16.468 19.136 -3.776 1.00 13.31 C ATOM 1599 OG1 THR A 105 16.731 20.403 -4.390 1.00 14.61 O ATOM 1600 CG2 THR A 105 15.821 19.350 -2.414 1.00 12.61 C ATOM 0 H THR A 105 16.956 17.107 -2.175 1.00 11.91 H new ATOM 0 HA THR A 105 18.136 18.129 -4.670 1.00 13.15 H new ATOM 0 HB THR A 105 15.776 18.571 -4.400 1.00 13.31 H new ATOM 0 HG1 THR A 105 15.897 20.913 -4.459 1.00 14.61 H new ATOM 0 HG21 THR A 105 14.909 19.934 -2.532 1.00 12.61 H new ATOM 0 HG22 THR A 105 15.578 18.384 -1.971 1.00 12.61 H new ATOM 0 HG23 THR A 105 16.512 19.885 -1.763 1.00 12.61 H new ATOM 1608 N GLY A 106 19.767 19.678 -3.570 1.00 14.84 N ATOM 1609 CA GLY A 106 20.823 20.401 -2.905 1.00 15.52 C ATOM 1610 C GLY A 106 21.822 19.471 -2.249 1.00 14.91 C ATOM 1611 O GLY A 106 22.540 18.739 -2.935 1.00 14.86 O ATOM 0 H GLY A 106 19.817 19.681 -4.589 1.00 14.84 H new ATOM 0 HA2 GLY A 106 21.338 21.035 -3.626 1.00 15.52 H new ATOM 0 HA3 GLY A 106 20.392 21.060 -2.151 1.00 15.52 H new ATOM 1615 N ALA A 107 21.868 19.490 -0.921 1.00 14.57 N ATOM 1616 CA ALA A 107 22.861 18.712 -0.192 1.00 14.09 C ATOM 1617 C ALA A 107 22.247 17.718 0.787 1.00 12.88 C ATOM 1618 O ALA A 107 22.875 17.381 1.791 1.00 12.64 O ATOM 1619 CB ALA A 107 23.819 19.639 0.537 1.00 14.99 C ATOM 0 H ALA A 107 21.235 20.031 -0.332 1.00 14.57 H new ATOM 0 HA ALA A 107 23.403 18.125 -0.934 1.00 14.09 H new ATOM 0 HB1 ALA A 107 24.557 19.047 1.078 1.00 14.99 H new ATOM 0 HB2 ALA A 107 24.326 20.279 -0.185 1.00 14.99 H new ATOM 0 HB3 ALA A 107 23.262 20.257 1.241 1.00 14.99 H new ATOM 1625 N ARG A 108 21.037 17.239 0.508 1.00 12.19 N ATOM 1626 CA ARG A 108 20.395 16.277 1.403 1.00 11.09 C ATOM 1627 C ARG A 108 19.142 15.674 0.799 1.00 10.26 C ATOM 1628 O ARG A 108 18.647 16.140 -0.227 1.00 10.63 O ATOM 1629 CB ARG A 108 20.084 16.923 2.759 1.00 11.48 C ATOM 1630 CG ARG A 108 19.521 18.327 2.632 1.00 12.49 C ATOM 1631 CD ARG A 108 18.013 18.329 2.418 1.00 12.62 C ATOM 1632 NE ARG A 108 17.517 19.648 2.023 1.00 13.67 N ATOM 1633 CZ ARG A 108 16.627 20.365 2.715 1.00 14.22 C ATOM 1634 NH1 ARG A 108 16.187 19.947 3.899 1.00 13.92 N1+ ATOM 1635 NH2 ARG A 108 16.199 21.524 2.227 1.00 15.20 N ATOM 0 H ARG A 108 20.489 17.494 -0.314 1.00 12.19 H new ATOM 0 HA ARG A 108 21.102 15.461 1.554 1.00 11.09 H new ATOM 0 HB2 ARG A 108 19.371 16.299 3.298 1.00 11.48 H new ATOM 0 HB3 ARG A 108 20.995 16.955 3.357 1.00 11.48 H new ATOM 0 HG2 ARG A 108 19.759 18.894 3.532 1.00 12.49 H new ATOM 0 HG3 ARG A 108 20.005 18.836 1.798 1.00 12.49 H new ATOM 0 HD2 ARG A 108 17.755 17.600 1.650 1.00 12.62 H new ATOM 0 HD3 ARG A 108 17.516 18.015 3.336 1.00 12.62 H new ATOM 0 HE ARG A 108 17.877 20.049 1.157 1.00 13.67 H new ATOM 0 HH11 ARG A 108 16.529 19.069 4.289 1.00 13.92 H new ATOM 0 HH12 ARG A 108 15.507 20.505 4.416 1.00 13.92 H new ATOM 0 HH21 ARG A 108 16.550 21.860 1.330 1.00 15.20 H new ATOM 0 HH22 ARG A 108 15.520 22.077 2.749 1.00 15.20 H new ATOM 1649 N THR A 109 18.615 14.663 1.473 1.00 9.26 N ATOM 1650 CA THR A 109 17.552 13.839 0.926 1.00 8.38 C ATOM 1651 C THR A 109 16.310 13.853 1.815 1.00 8.15 C ATOM 1652 O THR A 109 16.386 14.114 3.014 1.00 8.42 O ATOM 1653 CB THR A 109 18.040 12.387 0.753 1.00 7.38 C ATOM 1654 OG1 THR A 109 19.415 12.384 0.347 1.00 7.95 O ATOM 1655 CG2 THR A 109 17.209 11.655 -0.286 1.00 6.64 C ATOM 0 H THR A 109 18.912 14.393 2.411 1.00 9.26 H new ATOM 0 HA THR A 109 17.282 14.257 -0.044 1.00 8.38 H new ATOM 0 HB THR A 109 17.933 11.875 1.709 1.00 7.38 H new ATOM 0 HG1 THR A 109 19.952 11.908 1.014 1.00 7.95 H new ATOM 0 HG21 THR A 109 17.574 10.633 -0.389 1.00 6.64 H new ATOM 0 HG22 THR A 109 16.166 11.638 0.029 1.00 6.64 H new ATOM 0 HG23 THR A 109 17.291 12.168 -1.244 1.00 6.64 H new ATOM 1663 N ILE A 110 15.168 13.584 1.199 1.00 7.89 N ATOM 1664 CA ILE A 110 13.893 13.525 1.888 1.00 7.87 C ATOM 1665 C ILE A 110 13.182 12.219 1.533 1.00 6.75 C ATOM 1666 O ILE A 110 13.379 11.679 0.444 1.00 6.24 O ATOM 1667 CB ILE A 110 12.975 14.710 1.491 1.00 9.02 C ATOM 1668 CG1 ILE A 110 13.681 16.062 1.652 1.00 10.20 C ATOM 1669 CG2 ILE A 110 11.695 14.690 2.303 1.00 9.31 C ATOM 1670 CD1 ILE A 110 14.079 16.390 3.075 1.00 10.55 C ATOM 0 H ILE A 110 15.103 13.399 0.198 1.00 7.89 H new ATOM 0 HA ILE A 110 14.091 13.580 2.958 1.00 7.87 H new ATOM 0 HB ILE A 110 12.730 14.587 0.436 1.00 9.02 H new ATOM 0 HG12 ILE A 110 14.574 16.070 1.026 1.00 10.20 H new ATOM 0 HG13 ILE A 110 13.024 16.848 1.280 1.00 10.20 H new ATOM 0 HG21 ILE A 110 11.065 15.529 2.009 1.00 9.31 H new ATOM 0 HG22 ILE A 110 11.163 13.756 2.121 1.00 9.31 H new ATOM 0 HG23 ILE A 110 11.935 14.770 3.363 1.00 9.31 H new ATOM 0 HD11 ILE A 110 14.572 17.362 3.100 1.00 10.55 H new ATOM 0 HD12 ILE A 110 13.190 16.418 3.704 1.00 10.55 H new ATOM 0 HD13 ILE A 110 14.763 15.627 3.447 1.00 10.55 H new ATOM 1682 N ALA A 111 12.378 11.713 2.452 1.00 6.58 N ATOM 1683 CA ALA A 111 11.589 10.517 2.216 1.00 5.74 C ATOM 1684 C ALA A 111 10.163 10.724 2.694 1.00 6.51 C ATOM 1685 O ALA A 111 9.943 11.128 3.827 1.00 7.39 O ATOM 1686 CB ALA A 111 12.206 9.335 2.939 1.00 5.00 C ATOM 0 H ALA A 111 12.254 12.118 3.380 1.00 6.58 H new ATOM 0 HA ALA A 111 11.577 10.314 1.145 1.00 5.74 H new ATOM 0 HB1 ALA A 111 11.607 8.443 2.756 1.00 5.00 H new ATOM 0 HB2 ALA A 111 13.220 9.173 2.572 1.00 5.00 H new ATOM 0 HB3 ALA A 111 12.236 9.538 4.009 1.00 5.00 H new ATOM 1692 N MET A 112 9.199 10.471 1.833 1.00 6.37 N ATOM 1693 CA MET A 112 7.803 10.538 2.234 1.00 7.19 C ATOM 1694 C MET A 112 7.335 9.149 2.655 1.00 6.90 C ATOM 1695 O MET A 112 7.027 8.297 1.817 1.00 6.29 O ATOM 1696 CB MET A 112 6.938 11.065 1.086 1.00 7.48 C ATOM 1697 CG MET A 112 7.217 12.511 0.707 1.00 8.19 C ATOM 1698 SD MET A 112 8.714 12.703 -0.280 1.00 8.85 S ATOM 1699 CE MET A 112 8.278 11.746 -1.731 1.00 8.24 C ATOM 0 H MET A 112 9.351 10.218 0.857 1.00 6.37 H new ATOM 0 HA MET A 112 7.704 11.225 3.074 1.00 7.19 H new ATOM 0 HB2 MET A 112 7.094 10.435 0.210 1.00 7.48 H new ATOM 0 HB3 MET A 112 5.888 10.970 1.364 1.00 7.48 H new ATOM 0 HG2 MET A 112 6.367 12.905 0.149 1.00 8.19 H new ATOM 0 HG3 MET A 112 7.307 13.108 1.614 1.00 8.19 H new ATOM 0 HE1 MET A 112 8.811 12.136 -2.598 1.00 8.24 H new ATOM 0 HE2 MET A 112 8.553 10.703 -1.575 1.00 8.24 H new ATOM 0 HE3 MET A 112 7.204 11.816 -1.904 1.00 8.24 H new ATOM 1709 N VAL A 113 7.307 8.938 3.967 1.00 7.60 N ATOM 1710 CA VAL A 113 6.976 7.646 4.543 1.00 7.75 C ATOM 1711 C VAL A 113 5.472 7.413 4.495 1.00 8.59 C ATOM 1712 O VAL A 113 4.686 8.332 4.731 1.00 9.48 O ATOM 1713 CB VAL A 113 7.485 7.542 6.003 1.00 8.42 C ATOM 1714 CG1 VAL A 113 6.801 8.560 6.896 1.00 9.69 C ATOM 1715 CG2 VAL A 113 7.293 6.142 6.556 1.00 8.72 C ATOM 0 H VAL A 113 7.514 9.660 4.658 1.00 7.60 H new ATOM 0 HA VAL A 113 7.472 6.876 3.952 1.00 7.75 H new ATOM 0 HB VAL A 113 8.553 7.759 5.990 1.00 8.42 H new ATOM 0 HG11 VAL A 113 7.178 8.463 7.914 1.00 9.69 H new ATOM 0 HG12 VAL A 113 7.007 9.565 6.527 1.00 9.69 H new ATOM 0 HG13 VAL A 113 5.725 8.385 6.890 1.00 9.69 H new ATOM 0 HG21 VAL A 113 7.660 6.102 7.582 1.00 8.72 H new ATOM 0 HG22 VAL A 113 6.234 5.886 6.540 1.00 8.72 H new ATOM 0 HG23 VAL A 113 7.847 5.430 5.945 1.00 8.72 H new ATOM 1725 N ALA A 114 5.083 6.188 4.181 1.00 8.43 N ATOM 1726 CA ALA A 114 3.678 5.853 4.030 1.00 9.31 C ATOM 1727 C ALA A 114 3.001 5.665 5.379 1.00 10.44 C ATOM 1728 O ALA A 114 3.025 4.575 5.958 1.00 10.70 O ATOM 1729 CB ALA A 114 3.514 4.612 3.166 1.00 8.96 C ATOM 0 H ALA A 114 5.722 5.409 4.026 1.00 8.43 H new ATOM 0 HA ALA A 114 3.189 6.690 3.531 1.00 9.31 H new ATOM 0 HB1 ALA A 114 2.455 4.377 3.064 1.00 8.96 H new ATOM 0 HB2 ALA A 114 3.941 4.796 2.180 1.00 8.96 H new ATOM 0 HB3 ALA A 114 4.029 3.773 3.633 1.00 8.96 H new ATOM 1735 N LYS A 115 2.422 6.746 5.880 1.00 11.26 N ATOM 1736 CA LYS A 115 1.622 6.703 7.092 1.00 12.43 C ATOM 1737 C LYS A 115 0.252 6.100 6.817 1.00 13.26 C ATOM 1738 O LYS A 115 -0.078 5.747 5.684 1.00 13.19 O ATOM 1739 CB LYS A 115 1.426 8.113 7.655 1.00 13.13 C ATOM 1740 CG LYS A 115 2.602 8.656 8.441 1.00 13.19 C ATOM 1741 CD LYS A 115 2.321 10.075 8.908 1.00 14.08 C ATOM 1742 CE LYS A 115 3.271 10.505 10.012 1.00 14.36 C ATOM 1743 NZ LYS A 115 3.072 9.706 11.249 1.00 14.88 N1+ ATOM 0 H LYS A 115 2.494 7.673 5.459 1.00 11.26 H new ATOM 0 HA LYS A 115 2.155 6.084 7.814 1.00 12.43 H new ATOM 0 HB2 LYS A 115 1.215 8.792 6.829 1.00 13.13 H new ATOM 0 HB3 LYS A 115 0.547 8.112 8.299 1.00 13.13 H new ATOM 0 HG2 LYS A 115 2.799 8.016 9.301 1.00 13.19 H new ATOM 0 HG3 LYS A 115 3.499 8.642 7.821 1.00 13.19 H new ATOM 0 HD2 LYS A 115 2.411 10.760 8.064 1.00 14.08 H new ATOM 0 HD3 LYS A 115 1.294 10.143 9.266 1.00 14.08 H new ATOM 0 HE2 LYS A 115 4.300 10.396 9.670 1.00 14.36 H new ATOM 0 HE3 LYS A 115 3.119 11.562 10.232 1.00 14.36 H new ATOM 0 HZ1 LYS A 115 3.483 10.212 12.059 1.00 14.88 H new ATOM 0 HZ2 LYS A 115 2.055 9.564 11.410 1.00 14.88 H new ATOM 0 HZ3 LYS A 115 3.539 8.782 11.145 1.00 14.88 H new ATOM 1757 N GLY A 116 -0.542 5.993 7.867 1.00 14.15 N ATOM 1758 CA GLY A 116 -1.921 5.589 7.724 1.00 15.10 C ATOM 1759 C GLY A 116 -2.851 6.674 8.216 1.00 16.02 C ATOM 1760 O GLY A 116 -3.975 6.406 8.637 1.00 16.92 O ATOM 0 H GLY A 116 -0.252 6.181 8.827 1.00 14.15 H new ATOM 0 HA2 GLY A 116 -2.134 5.368 6.678 1.00 15.10 H new ATOM 0 HA3 GLY A 116 -2.096 4.671 8.285 1.00 15.10 H new ATOM 1764 N GLU A 117 -2.365 7.908 8.172 1.00 15.88 N ATOM 1765 CA GLU A 117 -3.111 9.043 8.693 1.00 16.82 C ATOM 1766 C GLU A 117 -3.724 9.884 7.577 1.00 16.56 C ATOM 1767 O GLU A 117 -4.202 10.990 7.815 1.00 17.25 O ATOM 1768 CB GLU A 117 -2.210 9.908 9.568 1.00 17.04 C ATOM 1769 CG GLU A 117 -1.677 9.160 10.772 1.00 17.42 C ATOM 1770 CD GLU A 117 -0.881 10.039 11.712 1.00 17.95 C ATOM 1771 OE1 GLU A 117 -1.490 10.856 12.435 1.00 18.56 O ATOM 1772 OE2 GLU A 117 0.361 9.921 11.733 1.00 17.82 O1- ATOM 0 H GLU A 117 -1.455 8.147 7.779 1.00 15.88 H new ATOM 0 HA GLU A 117 -3.930 8.649 9.295 1.00 16.82 H new ATOM 0 HB2 GLU A 117 -1.374 10.274 8.972 1.00 17.04 H new ATOM 0 HB3 GLU A 117 -2.767 10.782 9.905 1.00 17.04 H new ATOM 0 HG2 GLU A 117 -2.512 8.718 11.316 1.00 17.42 H new ATOM 0 HG3 GLU A 117 -1.047 8.338 10.432 1.00 17.42 H new ATOM 1779 N GLY A 118 -3.727 9.342 6.366 1.00 15.62 N ATOM 1780 CA GLY A 118 -4.335 10.032 5.243 1.00 15.41 C ATOM 1781 C GLY A 118 -3.336 10.817 4.413 1.00 14.71 C ATOM 1782 O GLY A 118 -3.721 11.683 3.627 1.00 14.71 O ATOM 0 H GLY A 118 -3.319 8.435 6.140 1.00 15.62 H new ATOM 0 HA2 GLY A 118 -4.835 9.304 4.605 1.00 15.41 H new ATOM 0 HA3 GLY A 118 -5.103 10.711 5.614 1.00 15.41 H new ATOM 1786 N GLY A 119 -2.058 10.514 4.581 1.00 14.19 N ATOM 1787 CA GLY A 119 -1.022 11.193 3.839 1.00 13.68 C ATOM 1788 C GLY A 119 0.342 10.674 4.222 1.00 12.53 C ATOM 1789 O GLY A 119 0.458 9.862 5.144 1.00 12.20 O ATOM 0 H GLY A 119 -1.719 9.801 5.227 1.00 14.19 H new ATOM 0 HA2 GLY A 119 -1.182 11.052 2.770 1.00 13.68 H new ATOM 0 HA3 GLY A 119 -1.075 12.265 4.030 1.00 13.68 H new ATOM 1793 N PHE A 120 1.370 11.122 3.523 1.00 12.03 N ATOM 1794 CA PHE A 120 2.728 10.700 3.827 1.00 10.94 C ATOM 1795 C PHE A 120 3.344 11.600 4.885 1.00 11.32 C ATOM 1796 O PHE A 120 2.689 12.494 5.414 1.00 11.97 O ATOM 1797 CB PHE A 120 3.618 10.707 2.582 1.00 10.11 C ATOM 1798 CG PHE A 120 3.057 9.950 1.415 1.00 9.82 C ATOM 1799 CD1 PHE A 120 3.049 8.565 1.402 1.00 9.56 C ATOM 1800 CD2 PHE A 120 2.540 10.631 0.328 1.00 9.99 C ATOM 1801 CE1 PHE A 120 2.534 7.876 0.326 1.00 9.49 C ATOM 1802 CE2 PHE A 120 2.024 9.947 -0.752 1.00 9.89 C ATOM 1803 CZ PHE A 120 2.020 8.567 -0.753 1.00 9.66 C ATOM 0 H PHE A 120 1.292 11.775 2.744 1.00 12.03 H new ATOM 0 HA PHE A 120 2.667 9.679 4.203 1.00 10.94 H new ATOM 0 HB2 PHE A 120 3.791 11.740 2.280 1.00 10.11 H new ATOM 0 HB3 PHE A 120 4.588 10.284 2.842 1.00 10.11 H new ATOM 0 HD1 PHE A 120 3.450 8.020 2.244 1.00 9.56 H new ATOM 0 HD2 PHE A 120 2.541 11.711 0.325 1.00 9.99 H new ATOM 0 HE1 PHE A 120 2.532 6.796 0.327 1.00 9.49 H new ATOM 0 HE2 PHE A 120 1.624 10.490 -1.595 1.00 9.89 H new ATOM 0 HZ PHE A 120 1.615 8.028 -1.597 1.00 9.66 H new ATOM 1813 N ASP A 121 4.601 11.351 5.186 1.00 11.05 N ATOM 1814 CA ASP A 121 5.367 12.210 6.072 1.00 11.56 C ATOM 1815 C ASP A 121 6.783 12.340 5.546 1.00 10.58 C ATOM 1816 O ASP A 121 7.490 11.353 5.357 1.00 9.55 O ATOM 1817 CB ASP A 121 5.371 11.634 7.475 1.00 12.35 C ATOM 1818 CG ASP A 121 6.372 12.316 8.390 1.00 13.39 C ATOM 1819 OD1 ASP A 121 6.071 13.423 8.882 1.00 13.91 O1- ATOM 1820 OD2 ASP A 121 7.460 11.751 8.628 1.00 13.79 O ATOM 0 H ASP A 121 5.122 10.551 4.826 1.00 11.05 H new ATOM 0 HA ASP A 121 4.910 13.199 6.108 1.00 11.56 H new ATOM 0 HB2 ASP A 121 4.373 11.727 7.903 1.00 12.35 H new ATOM 0 HB3 ASP A 121 5.599 10.569 7.425 1.00 12.35 H new ATOM 1825 N PRO A 122 7.181 13.573 5.248 1.00 10.99 N ATOM 1826 CA PRO A 122 8.472 13.869 4.664 1.00 10.31 C ATOM 1827 C PRO A 122 9.576 13.953 5.704 1.00 10.40 C ATOM 1828 O PRO A 122 9.630 14.886 6.509 1.00 11.44 O ATOM 1829 CB PRO A 122 8.254 15.218 3.981 1.00 11.13 C ATOM 1830 CG PRO A 122 7.129 15.866 4.731 1.00 12.35 C ATOM 1831 CD PRO A 122 6.382 14.777 5.471 1.00 12.29 C ATOM 0 HA PRO A 122 8.800 13.086 3.980 1.00 10.31 H new ATOM 0 HB2 PRO A 122 9.156 15.829 4.021 1.00 11.13 H new ATOM 0 HB3 PRO A 122 8.002 15.089 2.928 1.00 11.13 H new ATOM 0 HG2 PRO A 122 7.513 16.609 5.430 1.00 12.35 H new ATOM 0 HG3 PRO A 122 6.463 16.388 4.045 1.00 12.35 H new ATOM 0 HD2 PRO A 122 6.296 15.006 6.533 1.00 12.29 H new ATOM 0 HD3 PRO A 122 5.369 14.658 5.087 1.00 12.29 H new ATOM 1839 N VAL A 123 10.456 12.975 5.665 1.00 9.36 N ATOM 1840 CA VAL A 123 11.562 12.884 6.592 1.00 9.43 C ATOM 1841 C VAL A 123 12.858 13.283 5.895 1.00 9.05 C ATOM 1842 O VAL A 123 13.057 12.974 4.723 1.00 8.18 O ATOM 1843 CB VAL A 123 11.687 11.438 7.132 1.00 8.79 C ATOM 1844 CG1 VAL A 123 12.042 10.482 6.025 1.00 7.90 C ATOM 1845 CG2 VAL A 123 12.685 11.353 8.276 1.00 9.39 C ATOM 0 H VAL A 123 10.423 12.216 4.984 1.00 9.36 H new ATOM 0 HA VAL A 123 11.378 13.562 7.426 1.00 9.43 H new ATOM 0 HB VAL A 123 10.715 11.147 7.530 1.00 8.79 H new ATOM 0 HG11 VAL A 123 12.124 9.473 6.428 1.00 7.90 H new ATOM 0 HG12 VAL A 123 11.265 10.505 5.261 1.00 7.90 H new ATOM 0 HG13 VAL A 123 12.994 10.775 5.583 1.00 7.90 H new ATOM 0 HG21 VAL A 123 12.746 10.324 8.630 1.00 9.39 H new ATOM 0 HG22 VAL A 123 13.666 11.676 7.928 1.00 9.39 H new ATOM 0 HG23 VAL A 123 12.359 11.998 9.092 1.00 9.39 H new ATOM 1855 N GLU A 124 13.716 14.005 6.589 1.00 9.85 N ATOM 1856 CA GLU A 124 15.035 14.297 6.065 1.00 9.72 C ATOM 1857 C GLU A 124 15.962 13.115 6.318 1.00 8.90 C ATOM 1858 O GLU A 124 16.297 12.799 7.465 1.00 9.21 O ATOM 1859 CB GLU A 124 15.610 15.569 6.683 1.00 10.96 C ATOM 1860 CG GLU A 124 16.930 15.983 6.054 1.00 11.07 C ATOM 1861 CD GLU A 124 17.435 17.308 6.569 1.00 12.34 C ATOM 1862 OE1 GLU A 124 17.043 18.353 6.010 1.00 12.93 O1- ATOM 1863 OE2 GLU A 124 18.238 17.313 7.527 1.00 12.83 O ATOM 0 H GLU A 124 13.525 14.398 7.511 1.00 9.85 H new ATOM 0 HA GLU A 124 14.949 14.463 4.991 1.00 9.72 H new ATOM 0 HB2 GLU A 124 14.890 16.379 6.572 1.00 10.96 H new ATOM 0 HB3 GLU A 124 15.754 15.415 7.752 1.00 10.96 H new ATOM 0 HG2 GLU A 124 17.677 15.214 6.250 1.00 11.07 H new ATOM 0 HG3 GLU A 124 16.809 16.041 4.972 1.00 11.07 H new ATOM 1870 N VAL A 125 16.354 12.457 5.245 1.00 8.03 N ATOM 1871 CA VAL A 125 17.189 11.271 5.334 1.00 7.30 C ATOM 1872 C VAL A 125 18.530 11.492 4.662 1.00 7.38 C ATOM 1873 O VAL A 125 18.704 12.425 3.877 1.00 7.84 O ATOM 1874 CB VAL A 125 16.517 10.042 4.682 1.00 6.19 C ATOM 1875 CG1 VAL A 125 15.289 9.619 5.457 1.00 6.15 C ATOM 1876 CG2 VAL A 125 16.162 10.316 3.229 1.00 5.62 C ATOM 0 H VAL A 125 16.106 12.725 4.293 1.00 8.03 H new ATOM 0 HA VAL A 125 17.333 11.080 6.397 1.00 7.30 H new ATOM 0 HB VAL A 125 17.236 9.223 4.707 1.00 6.19 H new ATOM 0 HG11 VAL A 125 14.836 8.752 4.976 1.00 6.15 H new ATOM 0 HG12 VAL A 125 15.574 9.361 6.477 1.00 6.15 H new ATOM 0 HG13 VAL A 125 14.571 10.439 5.477 1.00 6.15 H new ATOM 0 HG21 VAL A 125 15.691 9.433 2.797 1.00 5.62 H new ATOM 0 HG22 VAL A 125 15.472 11.158 3.176 1.00 5.62 H new ATOM 0 HG23 VAL A 125 17.068 10.553 2.672 1.00 5.62 H new ATOM 1886 N LYS A 126 19.474 10.626 4.976 1.00 7.21 N ATOM 1887 CA LYS A 126 20.754 10.638 4.324 1.00 7.44 C ATOM 1888 C LYS A 126 20.787 9.553 3.273 1.00 6.77 C ATOM 1889 O LYS A 126 20.393 8.422 3.539 1.00 6.29 O ATOM 1890 CB LYS A 126 21.887 10.417 5.313 1.00 8.03 C ATOM 1891 CG LYS A 126 23.242 10.529 4.655 1.00 8.46 C ATOM 1892 CD LYS A 126 24.354 10.572 5.673 1.00 9.06 C ATOM 1893 CE LYS A 126 25.687 10.934 5.034 1.00 9.72 C ATOM 1894 NZ LYS A 126 25.667 12.298 4.437 1.00 10.39 N1+ ATOM 0 H LYS A 126 19.369 9.902 5.686 1.00 7.21 H new ATOM 0 HA LYS A 126 20.893 11.617 3.865 1.00 7.44 H new ATOM 0 HB2 LYS A 126 21.813 11.148 6.118 1.00 8.03 H new ATOM 0 HB3 LYS A 126 21.785 9.431 5.767 1.00 8.03 H new ATOM 0 HG2 LYS A 126 23.393 9.682 3.986 1.00 8.46 H new ATOM 0 HG3 LYS A 126 23.275 11.429 4.041 1.00 8.46 H new ATOM 0 HD2 LYS A 126 24.111 11.300 6.447 1.00 9.06 H new ATOM 0 HD3 LYS A 126 24.437 9.602 6.163 1.00 9.06 H new ATOM 0 HE2 LYS A 126 26.476 10.878 5.784 1.00 9.72 H new ATOM 0 HE3 LYS A 126 25.929 10.204 4.262 1.00 9.72 H new ATOM 0 HZ1 LYS A 126 26.642 12.641 4.321 1.00 10.39 H new ATOM 0 HZ2 LYS A 126 25.199 12.264 3.509 1.00 10.39 H new ATOM 0 HZ3 LYS A 126 25.145 12.944 5.064 1.00 10.39 H new ATOM 1908 N ALA A 127 21.262 9.882 2.096 1.00 7.04 N ATOM 1909 CA ALA A 127 21.306 8.919 1.014 1.00 6.78 C ATOM 1910 C ALA A 127 22.582 9.050 0.208 1.00 7.69 C ATOM 1911 O ALA A 127 22.712 9.972 -0.597 1.00 8.30 O ATOM 1912 CB ALA A 127 20.101 9.104 0.107 1.00 6.34 C ATOM 0 H ALA A 127 21.624 10.806 1.860 1.00 7.04 H new ATOM 0 HA ALA A 127 21.284 7.921 1.451 1.00 6.78 H new ATOM 0 HB1 ALA A 127 20.141 8.377 -0.704 1.00 6.34 H new ATOM 0 HB2 ALA A 127 19.187 8.957 0.682 1.00 6.34 H new ATOM 0 HB3 ALA A 127 20.110 10.112 -0.309 1.00 6.34 H new ATOM 1918 N GLY A 128 23.533 8.153 0.412 1.00 8.00 N ATOM 1919 CA GLY A 128 24.653 8.128 -0.500 1.00 8.94 C ATOM 1920 C GLY A 128 25.307 6.773 -0.618 1.00 9.46 C ATOM 1921 O GLY A 128 26.416 6.563 -0.135 1.00 10.10 O ATOM 0 H GLY A 128 23.552 7.465 1.165 1.00 8.00 H new ATOM 0 HA2 GLY A 128 24.315 8.446 -1.486 1.00 8.94 H new ATOM 0 HA3 GLY A 128 25.396 8.853 -0.169 1.00 8.94 H new ATOM 1925 N ALA A 129 24.597 5.851 -1.233 1.00 9.37 N ATOM 1926 CA ALA A 129 25.175 4.720 -1.917 1.00 10.27 C ATOM 1927 C ALA A 129 24.234 4.341 -3.049 1.00 10.12 C ATOM 1928 O ALA A 129 23.082 4.781 -3.050 1.00 9.18 O ATOM 1929 CB ALA A 129 25.443 3.566 -0.980 1.00 10.61 C ATOM 0 H ALA A 129 23.578 5.870 -1.270 1.00 9.37 H new ATOM 0 HA ALA A 129 26.151 4.986 -2.322 1.00 10.27 H new ATOM 0 HB1 ALA A 129 25.878 2.737 -1.539 1.00 10.61 H new ATOM 0 HB2 ALA A 129 26.137 3.883 -0.202 1.00 10.61 H new ATOM 0 HB3 ALA A 129 24.508 3.244 -0.523 1.00 10.61 H new ATOM 1935 N THR A 130 24.680 3.558 -4.009 1.00 11.12 N ATOM 1936 CA THR A 130 23.770 3.073 -5.036 1.00 11.19 C ATOM 1937 C THR A 130 24.117 1.652 -5.445 1.00 12.15 C ATOM 1938 O THR A 130 25.273 1.335 -5.729 1.00 13.17 O ATOM 1939 CB THR A 130 23.770 3.989 -6.271 1.00 11.72 C ATOM 1940 OG1 THR A 130 23.538 5.344 -5.863 1.00 11.18 O ATOM 1941 CG2 THR A 130 22.702 3.573 -7.274 1.00 11.68 C ATOM 0 H THR A 130 25.647 3.246 -4.104 1.00 11.12 H new ATOM 0 HA THR A 130 22.769 3.081 -4.606 1.00 11.19 H new ATOM 0 HB THR A 130 24.743 3.903 -6.755 1.00 11.72 H new ATOM 0 HG1 THR A 130 23.540 5.928 -6.650 1.00 11.18 H new ATOM 0 HG21 THR A 130 22.730 4.242 -8.134 1.00 11.68 H new ATOM 0 HG22 THR A 130 22.890 2.551 -7.603 1.00 11.68 H new ATOM 0 HG23 THR A 130 21.720 3.628 -6.804 1.00 11.68 H new ATOM 1949 N ALA A 131 23.103 0.805 -5.458 1.00 11.92 N ATOM 1950 CA ALA A 131 23.274 -0.593 -5.795 1.00 12.91 C ATOM 1951 C ALA A 131 22.039 -1.128 -6.504 1.00 12.98 C ATOM 1952 O ALA A 131 20.934 -1.074 -5.961 1.00 12.19 O ATOM 1953 CB ALA A 131 23.557 -1.407 -4.541 1.00 12.87 C ATOM 0 H ALA A 131 22.143 1.067 -5.236 1.00 11.92 H new ATOM 0 HA ALA A 131 24.125 -0.683 -6.471 1.00 12.91 H new ATOM 0 HB1 ALA A 131 23.683 -2.456 -4.809 1.00 12.87 H new ATOM 0 HB2 ALA A 131 24.468 -1.041 -4.068 1.00 12.87 H new ATOM 0 HB3 ALA A 131 22.722 -1.308 -3.847 1.00 12.87 H new ATOM 1959 N GLY A 132 22.226 -1.618 -7.724 1.00 14.01 N ATOM 1960 CA GLY A 132 21.134 -2.213 -8.474 1.00 14.34 C ATOM 1961 C GLY A 132 20.028 -1.226 -8.789 1.00 13.47 C ATOM 1962 O GLY A 132 18.850 -1.581 -8.785 1.00 13.23 O ATOM 0 H GLY A 132 23.122 -1.614 -8.211 1.00 14.01 H new ATOM 0 HA2 GLY A 132 21.522 -2.626 -9.405 1.00 14.34 H new ATOM 0 HA3 GLY A 132 20.720 -3.045 -7.905 1.00 14.34 H new ATOM 1966 N GLY A 133 20.406 0.016 -9.057 1.00 13.12 N ATOM 1967 CA GLY A 133 19.428 1.040 -9.370 1.00 12.40 C ATOM 1968 C GLY A 133 18.691 1.534 -8.141 1.00 10.98 C ATOM 1969 O GLY A 133 17.682 2.232 -8.248 1.00 10.30 O ATOM 0 H GLY A 133 21.375 0.334 -9.063 1.00 13.12 H new ATOM 0 HA2 GLY A 133 19.928 1.880 -9.852 1.00 12.40 H new ATOM 0 HA3 GLY A 133 18.708 0.644 -10.086 1.00 12.40 H new ATOM 1973 N GLN A 134 19.194 1.178 -6.971 1.00 10.62 N ATOM 1974 CA GLN A 134 18.572 1.585 -5.723 1.00 9.33 C ATOM 1975 C GLN A 134 19.553 2.385 -4.892 1.00 8.96 C ATOM 1976 O GLN A 134 20.763 2.285 -5.088 1.00 9.81 O ATOM 1977 CB GLN A 134 18.074 0.373 -4.935 1.00 9.38 C ATOM 1978 CG GLN A 134 16.944 -0.372 -5.623 1.00 9.89 C ATOM 1979 CD GLN A 134 16.329 -1.445 -4.751 1.00 10.08 C ATOM 1980 OE1 GLN A 134 16.314 -1.337 -3.525 1.00 10.39 O ATOM 1981 NE2 GLN A 134 15.808 -2.488 -5.375 1.00 10.17 N ATOM 0 H GLN A 134 20.032 0.607 -6.860 1.00 10.62 H new ATOM 0 HA GLN A 134 17.711 2.210 -5.958 1.00 9.33 H new ATOM 0 HB2 GLN A 134 18.906 -0.313 -4.774 1.00 9.38 H new ATOM 0 HB3 GLN A 134 17.737 0.702 -3.952 1.00 9.38 H new ATOM 0 HG2 GLN A 134 16.171 0.339 -5.915 1.00 9.89 H new ATOM 0 HG3 GLN A 134 17.320 -0.827 -6.539 1.00 9.89 H new ATOM 0 HE21 GLN A 134 15.840 -2.541 -6.393 1.00 10.17 H new ATOM 0 HE22 GLN A 134 15.374 -3.239 -4.838 1.00 10.17 H new ATOM 1990 N SER A 135 19.039 3.171 -3.964 1.00 7.82 N ATOM 1991 CA SER A 135 19.889 3.999 -3.139 1.00 7.56 C ATOM 1992 C SER A 135 20.022 3.392 -1.757 1.00 7.12 C ATOM 1993 O SER A 135 19.176 2.604 -1.328 1.00 6.78 O ATOM 1994 CB SER A 135 19.357 5.436 -3.033 1.00 6.91 C ATOM 1995 OG SER A 135 20.279 6.287 -2.373 1.00 6.85 O ATOM 0 H SER A 135 18.042 3.251 -3.766 1.00 7.82 H new ATOM 0 HA SER A 135 20.869 4.043 -3.614 1.00 7.56 H new ATOM 0 HB2 SER A 135 19.154 5.824 -4.031 1.00 6.91 H new ATOM 0 HB3 SER A 135 18.411 5.435 -2.492 1.00 6.91 H new ATOM 0 HG SER A 135 21.188 5.942 -2.496 1.00 6.85 H new ATOM 2001 N GLU A 136 21.076 3.760 -1.071 1.00 7.39 N ATOM 2002 CA GLU A 136 21.247 3.373 0.313 1.00 7.25 C ATOM 2003 C GLU A 136 21.012 4.572 1.216 1.00 6.42 C ATOM 2004 O GLU A 136 21.711 5.582 1.138 1.00 6.54 O ATOM 2005 CB GLU A 136 22.643 2.802 0.524 1.00 8.31 C ATOM 2006 CG GLU A 136 22.828 1.451 -0.157 1.00 9.31 C ATOM 2007 CD GLU A 136 24.046 0.679 0.321 1.00 10.29 C ATOM 2008 OE1 GLU A 136 23.999 0.110 1.433 1.00 10.69 O ATOM 2009 OE2 GLU A 136 25.067 0.658 -0.395 1.00 10.79 O1- ATOM 0 H GLU A 136 21.833 4.330 -1.448 1.00 7.39 H new ATOM 0 HA GLU A 136 20.519 2.602 0.566 1.00 7.25 H new ATOM 0 HB2 GLU A 136 23.382 3.504 0.138 1.00 8.31 H new ATOM 0 HB3 GLU A 136 22.831 2.696 1.592 1.00 8.31 H new ATOM 0 HG2 GLU A 136 21.938 0.846 0.012 1.00 9.31 H new ATOM 0 HG3 GLU A 136 22.908 1.606 -1.233 1.00 9.31 H new ATOM 2016 N ILE A 137 19.969 4.470 2.017 1.00 5.86 N ATOM 2017 CA ILE A 137 19.654 5.476 3.002 1.00 5.49 C ATOM 2018 C ILE A 137 20.508 5.251 4.233 1.00 6.25 C ATOM 2019 O ILE A 137 20.286 4.319 5.005 1.00 6.73 O ATOM 2020 CB ILE A 137 18.156 5.469 3.383 1.00 4.93 C ATOM 2021 CG1 ILE A 137 17.293 5.842 2.180 1.00 4.16 C ATOM 2022 CG2 ILE A 137 17.889 6.421 4.539 1.00 5.24 C ATOM 2023 CD1 ILE A 137 17.629 7.194 1.600 1.00 4.21 C ATOM 0 H ILE A 137 19.318 3.685 2.000 1.00 5.86 H new ATOM 0 HA ILE A 137 19.869 6.453 2.570 1.00 5.49 H new ATOM 0 HB ILE A 137 17.893 4.460 3.700 1.00 4.93 H new ATOM 0 HG12 ILE A 137 17.412 5.083 1.407 1.00 4.16 H new ATOM 0 HG13 ILE A 137 16.244 5.832 2.477 1.00 4.16 H new ATOM 0 HG21 ILE A 137 16.829 6.400 4.790 1.00 5.24 H new ATOM 0 HG22 ILE A 137 18.474 6.113 5.406 1.00 5.24 H new ATOM 0 HG23 ILE A 137 18.173 7.433 4.250 1.00 5.24 H new ATOM 0 HD11 ILE A 137 16.979 7.396 0.749 1.00 4.21 H new ATOM 0 HD12 ILE A 137 17.483 7.962 2.359 1.00 4.21 H new ATOM 0 HD13 ILE A 137 18.669 7.201 1.272 1.00 4.21 H new ATOM 2035 N LEU A 138 21.506 6.100 4.371 1.00 6.60 N ATOM 2036 CA LEU A 138 22.471 6.014 5.455 1.00 7.40 C ATOM 2037 C LEU A 138 21.819 6.368 6.778 1.00 7.59 C ATOM 2038 O LEU A 138 22.015 5.688 7.780 1.00 8.21 O ATOM 2039 CB LEU A 138 23.647 6.960 5.172 1.00 7.87 C ATOM 2040 CG LEU A 138 24.722 6.445 4.198 1.00 8.31 C ATOM 2041 CD1 LEU A 138 24.112 5.676 3.039 1.00 7.93 C ATOM 2042 CD2 LEU A 138 25.536 7.607 3.658 1.00 8.79 C ATOM 0 H LEU A 138 21.674 6.876 3.731 1.00 6.60 H new ATOM 0 HA LEU A 138 22.840 4.990 5.520 1.00 7.40 H new ATOM 0 HB2 LEU A 138 23.247 7.893 4.776 1.00 7.87 H new ATOM 0 HB3 LEU A 138 24.130 7.197 6.120 1.00 7.87 H new ATOM 0 HG LEU A 138 25.367 5.765 4.754 1.00 8.31 H new ATOM 0 HD11 LEU A 138 24.904 5.330 2.375 1.00 7.93 H new ATOM 0 HD12 LEU A 138 23.559 4.818 3.422 1.00 7.93 H new ATOM 0 HD13 LEU A 138 23.434 6.327 2.487 1.00 7.93 H new ATOM 0 HD21 LEU A 138 26.294 7.232 2.970 1.00 8.79 H new ATOM 0 HD22 LEU A 138 24.878 8.298 3.131 1.00 8.79 H new ATOM 0 HD23 LEU A 138 26.021 8.126 4.484 1.00 8.79 H new ATOM 2054 N GLU A 139 21.042 7.437 6.768 1.00 7.31 N ATOM 2055 CA GLU A 139 20.429 7.948 7.986 1.00 7.84 C ATOM 2056 C GLU A 139 19.000 8.399 7.738 1.00 7.45 C ATOM 2057 O GLU A 139 18.631 8.702 6.608 1.00 6.77 O ATOM 2058 CB GLU A 139 21.251 9.119 8.525 1.00 8.66 C ATOM 2059 CG GLU A 139 22.529 8.700 9.228 1.00 9.21 C ATOM 2060 CD GLU A 139 23.447 9.868 9.510 1.00 9.98 C ATOM 2061 OE1 GLU A 139 22.968 10.889 10.050 1.00 10.44 O ATOM 2062 OE2 GLU A 139 24.651 9.772 9.208 1.00 10.28 O1- ATOM 0 H GLU A 139 20.819 7.971 5.928 1.00 7.31 H new ATOM 0 HA GLU A 139 20.409 7.142 8.719 1.00 7.84 H new ATOM 0 HB2 GLU A 139 21.503 9.784 7.699 1.00 8.66 H new ATOM 0 HB3 GLU A 139 20.637 9.692 9.219 1.00 8.66 H new ATOM 0 HG2 GLU A 139 22.278 8.205 10.166 1.00 9.21 H new ATOM 0 HG3 GLU A 139 23.055 7.969 8.613 1.00 9.21 H new ATOM 2069 N GLY A 140 18.202 8.457 8.796 1.00 8.06 N ATOM 2070 CA GLY A 140 16.907 9.099 8.700 1.00 8.05 C ATOM 2071 C GLY A 140 15.726 8.174 8.934 1.00 8.05 C ATOM 2072 O GLY A 140 14.867 8.468 9.767 1.00 8.87 O ATOM 0 H GLY A 140 18.427 8.073 9.714 1.00 8.06 H new ATOM 0 HA2 GLY A 140 16.864 9.912 9.425 1.00 8.05 H new ATOM 0 HA3 GLY A 140 16.810 9.548 7.711 1.00 8.05 H new ATOM 2076 N LEU A 141 15.668 7.068 8.203 1.00 7.34 N ATOM 2077 CA LEU A 141 14.506 6.176 8.259 1.00 7.46 C ATOM 2078 C LEU A 141 14.806 4.875 8.996 1.00 8.16 C ATOM 2079 O LEU A 141 15.866 4.721 9.603 1.00 8.50 O ATOM 2080 CB LEU A 141 14.002 5.866 6.849 1.00 6.40 C ATOM 2081 CG LEU A 141 13.076 6.914 6.240 1.00 6.03 C ATOM 2082 CD1 LEU A 141 12.693 6.509 4.829 1.00 5.58 C ATOM 2083 CD2 LEU A 141 11.829 7.101 7.096 1.00 6.58 C ATOM 0 H LEU A 141 16.405 6.764 7.566 1.00 7.34 H new ATOM 0 HA LEU A 141 13.732 6.701 8.819 1.00 7.46 H new ATOM 0 HB2 LEU A 141 14.863 5.742 6.193 1.00 6.40 H new ATOM 0 HB3 LEU A 141 13.477 4.911 6.871 1.00 6.40 H new ATOM 0 HG LEU A 141 13.607 7.865 6.205 1.00 6.03 H new ATOM 0 HD11 LEU A 141 12.032 7.262 4.401 1.00 5.58 H new ATOM 0 HD12 LEU A 141 13.592 6.426 4.218 1.00 5.58 H new ATOM 0 HD13 LEU A 141 12.180 5.548 4.853 1.00 5.58 H new ATOM 0 HD21 LEU A 141 11.185 7.853 6.641 1.00 6.58 H new ATOM 0 HD22 LEU A 141 11.290 6.156 7.166 1.00 6.58 H new ATOM 0 HD23 LEU A 141 12.119 7.428 8.095 1.00 6.58 H new ATOM 2095 N LYS A 142 13.860 3.939 8.924 1.00 8.54 N ATOM 2096 CA LYS A 142 13.992 2.651 9.588 1.00 9.51 C ATOM 2097 C LYS A 142 13.357 1.548 8.765 1.00 9.48 C ATOM 2098 O LYS A 142 12.401 1.775 8.022 1.00 8.97 O ATOM 2099 CB LYS A 142 13.307 2.700 10.950 1.00 10.71 C ATOM 2100 CG LYS A 142 13.510 1.447 11.784 1.00 11.83 C ATOM 2101 CD LYS A 142 12.740 1.512 13.094 1.00 12.89 C ATOM 2102 CE LYS A 142 12.894 0.227 13.892 1.00 13.50 C ATOM 2103 NZ LYS A 142 12.099 0.248 15.148 1.00 14.15 N1+ ATOM 0 H LYS A 142 12.988 4.055 8.407 1.00 8.54 H new ATOM 0 HA LYS A 142 15.055 2.441 9.706 1.00 9.51 H new ATOM 0 HB2 LYS A 142 13.683 3.559 11.505 1.00 10.71 H new ATOM 0 HB3 LYS A 142 12.239 2.858 10.803 1.00 10.71 H new ATOM 0 HG2 LYS A 142 13.187 0.575 11.215 1.00 11.83 H new ATOM 0 HG3 LYS A 142 14.572 1.317 11.992 1.00 11.83 H new ATOM 0 HD2 LYS A 142 13.097 2.355 13.686 1.00 12.89 H new ATOM 0 HD3 LYS A 142 11.684 1.691 12.889 1.00 12.89 H new ATOM 0 HE2 LYS A 142 12.581 -0.619 13.280 1.00 13.50 H new ATOM 0 HE3 LYS A 142 13.946 0.074 14.132 1.00 13.50 H new ATOM 0 HZ1 LYS A 142 12.234 -0.647 15.659 1.00 14.15 H new ATOM 0 HZ2 LYS A 142 12.414 1.039 15.745 1.00 14.15 H new ATOM 0 HZ3 LYS A 142 11.092 0.367 14.919 1.00 14.15 H new ATOM 2117 N ALA A 143 13.905 0.353 8.924 1.00 10.19 N ATOM 2118 CA ALA A 143 13.413 -0.833 8.244 1.00 10.49 C ATOM 2119 C ALA A 143 12.040 -1.195 8.768 1.00 11.20 C ATOM 2120 O ALA A 143 11.818 -1.221 9.979 1.00 12.12 O ATOM 2121 CB ALA A 143 14.366 -1.993 8.436 1.00 11.37 C ATOM 0 H ALA A 143 14.706 0.179 9.531 1.00 10.19 H new ATOM 0 HA ALA A 143 13.344 -0.618 7.178 1.00 10.49 H new ATOM 0 HB1 ALA A 143 13.979 -2.871 7.919 1.00 11.37 H new ATOM 0 HB2 ALA A 143 15.343 -1.733 8.028 1.00 11.37 H new ATOM 0 HB3 ALA A 143 14.463 -2.212 9.499 1.00 11.37 H new ATOM 2127 N GLY A 144 11.126 -1.477 7.862 1.00 10.88 N ATOM 2128 CA GLY A 144 9.759 -1.720 8.259 1.00 11.54 C ATOM 2129 C GLY A 144 8.885 -0.514 8.008 1.00 10.82 C ATOM 2130 O GLY A 144 7.682 -0.546 8.258 1.00 11.32 O ATOM 0 H GLY A 144 11.303 -1.543 6.860 1.00 10.88 H new ATOM 0 HA2 GLY A 144 9.366 -2.575 7.709 1.00 11.54 H new ATOM 0 HA3 GLY A 144 9.727 -1.979 9.317 1.00 11.54 H new ATOM 2134 N GLN A 145 9.492 0.564 7.524 1.00 9.74 N ATOM 2135 CA GLN A 145 8.737 1.738 7.136 1.00 9.10 C ATOM 2136 C GLN A 145 8.645 1.796 5.624 1.00 8.05 C ATOM 2137 O GLN A 145 9.588 1.425 4.936 1.00 7.35 O ATOM 2138 CB GLN A 145 9.361 3.032 7.675 1.00 8.76 C ATOM 2139 CG GLN A 145 9.467 3.099 9.194 1.00 9.88 C ATOM 2140 CD GLN A 145 8.122 2.992 9.896 1.00 10.75 C ATOM 2141 OE1 GLN A 145 7.072 3.494 9.265 1.00 11.13 O flip ATOM 2142 NE2 GLN A 145 8.033 2.474 11.008 1.00 11.24 N flip ATOM 0 H GLN A 145 10.500 0.644 7.393 1.00 9.74 H new ATOM 0 HA GLN A 145 7.741 1.656 7.571 1.00 9.10 H new ATOM 0 HB2 GLN A 145 10.358 3.144 7.249 1.00 8.76 H new ATOM 0 HB3 GLN A 145 8.768 3.878 7.327 1.00 8.76 H new ATOM 0 HG2 GLN A 145 10.116 2.295 9.542 1.00 9.88 H new ATOM 0 HG3 GLN A 145 9.943 4.038 9.477 1.00 9.88 H new ATOM 0 HE21 GLN A 145 8.865 2.098 11.463 1.00 11.24 H new ATOM 0 HE22 GLN A 145 7.128 2.421 11.475 1.00 11.24 H new ATOM 2151 N GLN A 146 7.526 2.242 5.109 1.00 8.12 N ATOM 2152 CA GLN A 146 7.354 2.346 3.671 1.00 7.34 C ATOM 2153 C GLN A 146 7.728 3.733 3.160 1.00 6.41 C ATOM 2154 O GLN A 146 7.702 4.710 3.904 1.00 6.79 O ATOM 2155 CB GLN A 146 5.911 2.030 3.278 1.00 8.14 C ATOM 2156 CG GLN A 146 5.595 0.550 3.266 1.00 9.01 C ATOM 2157 CD GLN A 146 4.180 0.241 2.807 1.00 9.89 C ATOM 2158 OE1 GLN A 146 3.250 1.143 3.080 1.00 10.17 O flip ATOM 2159 NE2 GLN A 146 3.924 -0.810 2.217 1.00 10.49 N flip ATOM 0 H GLN A 146 6.719 2.540 5.658 1.00 8.12 H new ATOM 0 HA GLN A 146 8.023 1.618 3.212 1.00 7.34 H new ATOM 0 HB2 GLN A 146 5.236 2.531 3.972 1.00 8.14 H new ATOM 0 HB3 GLN A 146 5.714 2.443 2.289 1.00 8.14 H new ATOM 0 HG2 GLN A 146 6.301 0.040 2.611 1.00 9.01 H new ATOM 0 HG3 GLN A 146 5.741 0.146 4.268 1.00 9.01 H new ATOM 0 HE21 GLN A 146 4.668 -1.481 2.024 1.00 10.49 H new ATOM 0 HE22 GLN A 146 2.968 -1.009 1.921 1.00 10.49 H new ATOM 2168 N VAL A 147 8.080 3.809 1.886 1.00 5.45 N ATOM 2169 CA VAL A 147 8.334 5.082 1.229 1.00 4.76 C ATOM 2170 C VAL A 147 7.590 5.104 -0.094 1.00 4.67 C ATOM 2171 O VAL A 147 7.479 4.076 -0.766 1.00 4.76 O ATOM 2172 CB VAL A 147 9.846 5.343 0.985 1.00 3.89 C ATOM 2173 CG1 VAL A 147 10.613 5.334 2.295 1.00 4.21 C ATOM 2174 CG2 VAL A 147 10.441 4.332 0.012 1.00 3.49 C ATOM 0 H VAL A 147 8.197 2.996 1.281 1.00 5.45 H new ATOM 0 HA VAL A 147 7.981 5.874 1.889 1.00 4.76 H new ATOM 0 HB VAL A 147 9.938 6.331 0.535 1.00 3.89 H new ATOM 0 HG11 VAL A 147 11.669 5.519 2.099 1.00 4.21 H new ATOM 0 HG12 VAL A 147 10.223 6.113 2.950 1.00 4.21 H new ATOM 0 HG13 VAL A 147 10.498 4.363 2.777 1.00 4.21 H new ATOM 0 HG21 VAL A 147 11.500 4.547 -0.134 1.00 3.49 H new ATOM 0 HG22 VAL A 147 10.327 3.327 0.417 1.00 3.49 H new ATOM 0 HG23 VAL A 147 9.922 4.399 -0.944 1.00 3.49 H new ATOM 2184 N VAL A 148 7.049 6.252 -0.454 1.00 4.95 N ATOM 2185 CA VAL A 148 6.299 6.361 -1.691 1.00 5.28 C ATOM 2186 C VAL A 148 7.233 6.421 -2.890 1.00 4.93 C ATOM 2187 O VAL A 148 7.892 7.428 -3.148 1.00 4.74 O ATOM 2188 CB VAL A 148 5.325 7.564 -1.680 1.00 6.08 C ATOM 2189 CG1 VAL A 148 6.048 8.864 -1.392 1.00 6.56 C ATOM 2190 CG2 VAL A 148 4.562 7.651 -2.993 1.00 6.56 C ATOM 0 H VAL A 148 7.113 7.115 0.086 1.00 4.95 H new ATOM 0 HA VAL A 148 5.690 5.461 -1.778 1.00 5.28 H new ATOM 0 HB VAL A 148 4.609 7.401 -0.875 1.00 6.08 H new ATOM 0 HG11 VAL A 148 5.332 9.686 -1.392 1.00 6.56 H new ATOM 0 HG12 VAL A 148 6.531 8.803 -0.417 1.00 6.56 H new ATOM 0 HG13 VAL A 148 6.802 9.039 -2.160 1.00 6.56 H new ATOM 0 HG21 VAL A 148 3.883 8.503 -2.964 1.00 6.56 H new ATOM 0 HG22 VAL A 148 5.266 7.776 -3.815 1.00 6.56 H new ATOM 0 HG23 VAL A 148 3.989 6.736 -3.142 1.00 6.56 H new ATOM 2200 N VAL A 149 7.312 5.308 -3.598 1.00 5.25 N ATOM 2201 CA VAL A 149 8.112 5.235 -4.803 1.00 5.51 C ATOM 2202 C VAL A 149 7.215 5.557 -5.987 1.00 6.47 C ATOM 2203 O VAL A 149 7.678 5.830 -7.095 1.00 6.99 O ATOM 2204 CB VAL A 149 8.812 3.853 -4.931 1.00 5.65 C ATOM 2205 CG1 VAL A 149 9.137 3.325 -3.553 1.00 5.29 C ATOM 2206 CG2 VAL A 149 7.999 2.819 -5.686 1.00 6.22 C ATOM 0 H VAL A 149 6.830 4.442 -3.357 1.00 5.25 H new ATOM 0 HA VAL A 149 8.920 5.966 -4.769 1.00 5.51 H new ATOM 0 HB VAL A 149 9.718 4.020 -5.514 1.00 5.65 H new ATOM 0 HG11 VAL A 149 9.628 2.356 -3.641 1.00 5.29 H new ATOM 0 HG12 VAL A 149 9.801 4.023 -3.043 1.00 5.29 H new ATOM 0 HG13 VAL A 149 8.217 3.215 -2.979 1.00 5.29 H new ATOM 0 HG21 VAL A 149 8.555 1.882 -5.733 1.00 6.22 H new ATOM 0 HG22 VAL A 149 7.052 2.654 -5.172 1.00 6.22 H new ATOM 0 HG23 VAL A 149 7.805 3.176 -6.697 1.00 6.22 H new ATOM 2234 N GLN A 152 3.624 10.076 -5.689 1.00 8.97 N ATOM 2235 CA GLN A 152 2.678 10.575 -4.685 1.00 9.41 C ATOM 2236 C GLN A 152 1.344 9.827 -4.783 1.00 9.73 C ATOM 2237 O GLN A 152 0.440 10.240 -5.507 1.00 9.97 O ATOM 2238 CB GLN A 152 2.469 12.088 -4.851 1.00 10.01 C ATOM 2239 CG GLN A 152 1.715 12.743 -3.703 1.00 10.63 C ATOM 2240 CD GLN A 152 1.562 14.241 -3.895 1.00 11.38 C ATOM 2241 OE1 GLN A 152 0.579 14.712 -4.460 1.00 11.71 O ATOM 2242 NE2 GLN A 152 2.541 15.004 -3.431 1.00 11.84 N ATOM 0 HA GLN A 152 3.096 10.394 -3.695 1.00 9.41 H new ATOM 0 HB2 GLN A 152 3.442 12.569 -4.953 1.00 10.01 H new ATOM 0 HB3 GLN A 152 1.925 12.269 -5.778 1.00 10.01 H new ATOM 0 HG2 GLN A 152 0.729 12.288 -3.612 1.00 10.63 H new ATOM 0 HG3 GLN A 152 2.242 12.551 -2.768 1.00 10.63 H new ATOM 0 HE21 GLN A 152 3.343 14.578 -2.967 1.00 11.84 H new ATOM 0 HE22 GLN A 152 2.492 16.017 -3.538 1.00 11.84 H new ATOM 2251 N PHE A 153 1.229 8.712 -4.058 1.00 9.95 N ATOM 2252 CA PHE A 153 0.029 7.886 -4.133 1.00 10.47 C ATOM 2253 C PHE A 153 -0.230 7.108 -2.839 1.00 10.93 C ATOM 2254 O PHE A 153 0.281 6.002 -2.645 1.00 11.34 O ATOM 2255 CB PHE A 153 0.134 6.907 -5.306 1.00 10.62 C ATOM 2256 CG PHE A 153 -1.066 6.012 -5.459 1.00 11.04 C ATOM 2257 CD1 PHE A 153 -2.278 6.526 -5.885 1.00 11.41 C ATOM 2258 CD2 PHE A 153 -0.979 4.656 -5.178 1.00 11.27 C ATOM 2259 CE1 PHE A 153 -3.382 5.707 -6.028 1.00 12.02 C ATOM 2260 CE2 PHE A 153 -2.079 3.834 -5.320 1.00 11.87 C ATOM 2261 CZ PHE A 153 -3.281 4.360 -5.744 1.00 12.24 C ATOM 0 H PHE A 153 1.945 8.366 -3.420 1.00 9.95 H new ATOM 0 HA PHE A 153 -0.812 8.563 -4.285 1.00 10.47 H new ATOM 0 HB2 PHE A 153 0.274 7.472 -6.227 1.00 10.62 H new ATOM 0 HB3 PHE A 153 1.022 6.289 -5.173 1.00 10.62 H new ATOM 0 HD1 PHE A 153 -2.362 7.579 -6.108 1.00 11.41 H new ATOM 0 HD2 PHE A 153 -0.040 4.239 -4.844 1.00 11.27 H new ATOM 0 HE1 PHE A 153 -4.322 6.120 -6.361 1.00 12.02 H new ATOM 0 HE2 PHE A 153 -1.998 2.780 -5.099 1.00 11.87 H new ATOM 0 HZ PHE A 153 -4.143 3.718 -5.854 1.00 12.24 H new ATOM 2271 N LEU A 154 -0.997 7.711 -1.947 1.00 11.05 N ATOM 2272 CA LEU A 154 -1.590 6.982 -0.831 1.00 11.63 C ATOM 2273 C LEU A 154 -3.104 7.018 -0.996 1.00 11.39 C ATOM 2274 O LEU A 154 -3.760 5.988 -1.143 1.00 11.57 O ATOM 2275 CB LEU A 154 -1.179 7.602 0.508 1.00 12.16 C ATOM 2276 CG LEU A 154 -1.638 6.831 1.748 1.00 12.68 C ATOM 2277 CD1 LEU A 154 -1.053 5.427 1.756 1.00 13.16 C ATOM 2278 CD2 LEU A 154 -1.246 7.576 3.014 1.00 13.04 C ATOM 0 H LEU A 154 -1.226 8.705 -1.971 1.00 11.05 H new ATOM 0 HA LEU A 154 -1.236 5.951 -0.832 1.00 11.63 H new ATOM 0 HB2 LEU A 154 -0.093 7.687 0.533 1.00 12.16 H new ATOM 0 HB3 LEU A 154 -1.579 8.615 0.560 1.00 12.16 H new ATOM 0 HG LEU A 154 -2.724 6.750 1.716 1.00 12.68 H new ATOM 0 HD11 LEU A 154 -1.392 4.897 2.646 1.00 13.16 H new ATOM 0 HD12 LEU A 154 -1.382 4.890 0.866 1.00 13.16 H new ATOM 0 HD13 LEU A 154 0.035 5.486 1.762 1.00 13.16 H new ATOM 0 HD21 LEU A 154 -1.580 7.013 3.886 1.00 13.04 H new ATOM 0 HD22 LEU A 154 -0.162 7.689 3.049 1.00 13.04 H new ATOM 0 HD23 LEU A 154 -1.714 8.560 3.016 1.00 13.04 H new ATOM 2290 N ILE A 155 -3.641 8.227 -0.963 1.00 11.17 N ATOM 2291 CA ILE A 155 -5.025 8.490 -1.343 1.00 11.08 C ATOM 2292 C ILE A 155 -5.002 9.524 -2.454 1.00 10.31 C ATOM 2293 O ILE A 155 -6.028 10.014 -2.925 1.00 9.93 O ATOM 2294 CB ILE A 155 -5.861 9.028 -0.160 1.00 11.39 C ATOM 2295 CG1 ILE A 155 -5.238 10.316 0.393 1.00 11.61 C ATOM 2296 CG2 ILE A 155 -5.976 7.974 0.933 1.00 11.66 C ATOM 2297 CD1 ILE A 155 -6.073 10.987 1.462 1.00 11.95 C ATOM 0 H ILE A 155 -3.129 9.059 -0.671 1.00 11.17 H new ATOM 0 HA ILE A 155 -5.489 7.558 -1.666 1.00 11.08 H new ATOM 0 HB ILE A 155 -6.864 9.259 -0.520 1.00 11.39 H new ATOM 0 HG12 ILE A 155 -4.255 10.086 0.804 1.00 11.61 H new ATOM 0 HG13 ILE A 155 -5.084 11.016 -0.428 1.00 11.61 H new ATOM 0 HG21 ILE A 155 -6.568 8.369 1.759 1.00 11.66 H new ATOM 0 HG22 ILE A 155 -6.462 7.085 0.531 1.00 11.66 H new ATOM 0 HG23 ILE A 155 -4.981 7.713 1.292 1.00 11.66 H new ATOM 0 HD11 ILE A 155 -5.568 11.890 1.804 1.00 11.95 H new ATOM 0 HD12 ILE A 155 -7.048 11.250 1.051 1.00 11.95 H new ATOM 0 HD13 ILE A 155 -6.205 10.305 2.302 1.00 11.95 H new ATOM 2309 N ASP A 156 -3.778 9.808 -2.861 1.00 10.31 N ATOM 2310 CA ASP A 156 -3.431 10.883 -3.778 1.00 9.81 C ATOM 2311 C ASP A 156 -3.613 10.458 -5.236 1.00 9.63 C ATOM 2312 O ASP A 156 -2.834 10.834 -6.104 1.00 9.09 O ATOM 2313 CB ASP A 156 -1.978 11.292 -3.520 1.00 10.26 C ATOM 2314 CG ASP A 156 -1.671 11.411 -2.042 1.00 10.68 C ATOM 2315 OD1 ASP A 156 -1.404 10.363 -1.406 1.00 11.22 O ATOM 2316 OD2 ASP A 156 -1.708 12.543 -1.509 1.00 10.64 O1- ATOM 0 H ASP A 156 -2.965 9.276 -2.550 1.00 10.31 H new ATOM 0 HA ASP A 156 -4.097 11.728 -3.604 1.00 9.81 H new ATOM 0 HB2 ASP A 156 -1.310 10.557 -3.970 1.00 10.26 H new ATOM 0 HB3 ASP A 156 -1.779 12.246 -4.009 1.00 10.26 H new ATOM 2321 N SER A 157 -4.637 9.645 -5.475 1.00 10.26 N ATOM 2322 CA SER A 157 -4.870 9.008 -6.771 1.00 10.38 C ATOM 2323 C SER A 157 -4.802 9.984 -7.948 1.00 9.63 C ATOM 2324 O SER A 157 -4.129 9.706 -8.938 1.00 9.37 O ATOM 2325 CB SER A 157 -6.228 8.303 -6.764 1.00 11.42 C ATOM 2326 OG SER A 157 -6.425 7.532 -7.937 1.00 11.90 O ATOM 0 H SER A 157 -5.335 9.406 -4.771 1.00 10.26 H new ATOM 0 HA SER A 157 -4.065 8.287 -6.914 1.00 10.38 H new ATOM 0 HB2 SER A 157 -6.298 7.658 -5.888 1.00 11.42 H new ATOM 0 HB3 SER A 157 -7.022 9.044 -6.678 1.00 11.42 H new ATOM 0 HG SER A 157 -7.301 7.095 -7.898 1.00 11.90 H new ATOM 2332 N GLU A 158 -5.496 11.110 -7.856 1.00 9.47 N ATOM 2333 CA GLU A 158 -5.493 12.075 -8.951 1.00 9.00 C ATOM 2334 C GLU A 158 -4.159 12.806 -8.997 1.00 8.03 C ATOM 2335 O GLU A 158 -3.724 13.264 -10.044 1.00 7.69 O ATOM 2336 CB GLU A 158 -6.641 13.079 -8.828 1.00 9.38 C ATOM 2337 CG GLU A 158 -6.388 14.172 -7.815 1.00 10.19 C ATOM 2338 CD GLU A 158 -7.172 15.433 -8.112 1.00 10.79 C ATOM 2339 OE1 GLU A 158 -8.395 15.450 -7.862 1.00 11.17 O1- ATOM 2340 OE2 GLU A 158 -6.569 16.415 -8.600 1.00 11.06 O ATOM 0 H GLU A 158 -6.060 11.377 -7.049 1.00 9.47 H new ATOM 0 HA GLU A 158 -5.637 11.523 -9.880 1.00 9.00 H new ATOM 0 HB2 GLU A 158 -6.820 13.534 -9.802 1.00 9.38 H new ATOM 0 HB3 GLU A 158 -7.551 12.545 -8.553 1.00 9.38 H new ATOM 0 HG2 GLU A 158 -6.652 13.810 -6.821 1.00 10.19 H new ATOM 0 HG3 GLU A 158 -5.324 14.406 -7.797 1.00 10.19 H new ATOM 2347 N ALA A 159 -3.516 12.882 -7.837 1.00 7.82 N ATOM 2348 CA ALA A 159 -2.269 13.616 -7.672 1.00 7.20 C ATOM 2349 C ALA A 159 -1.094 12.853 -8.259 1.00 7.12 C ATOM 2350 O ALA A 159 -0.050 13.435 -8.538 1.00 6.81 O ATOM 2351 CB ALA A 159 -2.029 13.892 -6.206 1.00 7.44 C ATOM 0 H ALA A 159 -3.847 12.434 -6.982 1.00 7.82 H new ATOM 0 HA ALA A 159 -2.356 14.559 -8.211 1.00 7.20 H new ATOM 0 HB1 ALA A 159 -1.095 14.441 -6.087 1.00 7.44 H new ATOM 0 HB2 ALA A 159 -2.852 14.485 -5.808 1.00 7.44 H new ATOM 0 HB3 ALA A 159 -1.967 12.949 -5.664 1.00 7.44 H new ATOM 2357 N SER A 160 -1.268 11.547 -8.412 1.00 7.72 N ATOM 2358 CA SER A 160 -0.293 10.716 -9.103 1.00 8.04 C ATOM 2359 C SER A 160 -0.301 11.061 -10.587 1.00 7.99 C ATOM 2360 O SER A 160 0.702 10.931 -11.294 1.00 8.08 O ATOM 2361 CB SER A 160 -0.648 9.244 -8.908 1.00 8.99 C ATOM 2362 OG SER A 160 -0.910 8.960 -7.546 1.00 9.64 O ATOM 0 H SER A 160 -2.081 11.038 -8.064 1.00 7.72 H new ATOM 0 HA SER A 160 0.701 10.899 -8.696 1.00 8.04 H new ATOM 0 HB2 SER A 160 -1.522 8.995 -9.510 1.00 8.99 H new ATOM 0 HB3 SER A 160 0.172 8.619 -9.262 1.00 8.99 H new ATOM 0 HG SER A 160 -0.332 9.513 -6.980 1.00 9.64 H new ATOM 2368 N LEU A 161 -1.477 11.483 -11.041 1.00 8.10 N ATOM 2369 CA LEU A 161 -1.697 11.873 -12.418 1.00 8.40 C ATOM 2370 C LEU A 161 -1.348 13.347 -12.588 1.00 7.89 C ATOM 2371 O LEU A 161 -0.743 13.751 -13.575 1.00 8.18 O ATOM 2372 CB LEU A 161 -3.168 11.652 -12.787 1.00 9.04 C ATOM 2373 CG LEU A 161 -3.810 10.371 -12.240 1.00 9.80 C ATOM 2374 CD1 LEU A 161 -5.291 10.331 -12.585 1.00 10.57 C ATOM 2375 CD2 LEU A 161 -3.112 9.133 -12.777 1.00 10.37 C ATOM 0 H LEU A 161 -2.307 11.562 -10.454 1.00 8.10 H new ATOM 0 HA LEU A 161 -1.066 11.270 -13.071 1.00 8.40 H new ATOM 0 HB2 LEU A 161 -3.744 12.505 -12.430 1.00 9.04 H new ATOM 0 HB3 LEU A 161 -3.253 11.642 -13.874 1.00 9.04 H new ATOM 0 HG LEU A 161 -3.699 10.378 -11.156 1.00 9.80 H new ATOM 0 HD11 LEU A 161 -5.732 9.416 -12.190 1.00 10.57 H new ATOM 0 HD12 LEU A 161 -5.791 11.194 -12.145 1.00 10.57 H new ATOM 0 HD13 LEU A 161 -5.413 10.354 -13.668 1.00 10.57 H new ATOM 0 HD21 LEU A 161 -3.590 8.241 -12.371 1.00 10.37 H new ATOM 0 HD22 LEU A 161 -3.182 9.119 -13.865 1.00 10.37 H new ATOM 0 HD23 LEU A 161 -2.063 9.149 -12.481 1.00 10.37 H new ATOM 2387 N ARG A 162 -1.785 14.131 -11.616 1.00 7.38 N ATOM 2388 CA ARG A 162 -1.530 15.538 -11.517 1.00 7.17 C ATOM 2389 C ARG A 162 -0.049 15.882 -11.633 1.00 6.87 C ATOM 2390 O ARG A 162 0.794 15.325 -10.933 1.00 6.95 O ATOM 2391 CB ARG A 162 -2.037 15.951 -10.151 1.00 7.15 C ATOM 2392 CG ARG A 162 -2.563 17.348 -10.085 1.00 7.34 C ATOM 2393 CD ARG A 162 -3.107 17.639 -8.692 1.00 7.40 C ATOM 2394 NE ARG A 162 -3.485 19.039 -8.504 1.00 7.84 N ATOM 2395 CZ ARG A 162 -4.352 19.456 -7.582 1.00 8.24 C ATOM 2396 NH1 ARG A 162 -5.017 18.573 -6.843 1.00 8.25 N1+ ATOM 2397 NH2 ARG A 162 -4.570 20.756 -7.413 1.00 8.90 N ATOM 0 H ARG A 162 -2.352 13.777 -10.845 1.00 7.38 H new ATOM 0 HA ARG A 162 -2.026 16.060 -12.335 1.00 7.17 H new ATOM 0 HB2 ARG A 162 -2.826 15.264 -9.847 1.00 7.15 H new ATOM 0 HB3 ARG A 162 -1.227 15.846 -9.429 1.00 7.15 H new ATOM 0 HG2 ARG A 162 -1.770 18.055 -10.329 1.00 7.34 H new ATOM 0 HG3 ARG A 162 -3.350 17.484 -10.827 1.00 7.34 H new ATOM 0 HD2 ARG A 162 -3.976 17.007 -8.508 1.00 7.40 H new ATOM 0 HD3 ARG A 162 -2.354 17.370 -7.951 1.00 7.40 H new ATOM 0 HE ARG A 162 -3.060 19.737 -9.114 1.00 7.84 H new ATOM 0 HH11 ARG A 162 -4.864 17.574 -6.981 1.00 8.25 H new ATOM 0 HH12 ARG A 162 -5.680 18.895 -6.138 1.00 8.25 H new ATOM 0 HH21 ARG A 162 -4.073 21.436 -7.989 1.00 8.90 H new ATOM 0 HH22 ARG A 162 -5.234 21.074 -6.707 1.00 8.90 H new ATOM 2411 N GLY A 163 0.251 16.808 -12.522 1.00 6.89 N ATOM 2412 CA GLY A 163 1.589 17.339 -12.616 1.00 7.01 C ATOM 2413 C GLY A 163 1.591 18.815 -12.317 1.00 6.68 C ATOM 2414 O GLY A 163 2.402 19.567 -12.863 1.00 7.15 O ATOM 0 H GLY A 163 -0.414 17.205 -13.186 1.00 6.89 H new ATOM 0 HA2 GLY A 163 2.243 16.819 -11.916 1.00 7.01 H new ATOM 0 HA3 GLY A 163 1.987 17.164 -13.615 1.00 7.01 H new ATOM 2418 N THR A 164 0.665 19.223 -11.453 1.00 6.17 N ATOM 2419 CA THR A 164 0.474 20.624 -11.119 1.00 6.16 C ATOM 2420 C THR A 164 1.626 21.161 -10.284 1.00 6.65 C ATOM 2421 O THR A 164 1.958 20.587 -9.247 1.00 7.09 O ATOM 2422 CB THR A 164 -0.836 20.841 -10.348 1.00 6.38 C ATOM 2423 OG1 THR A 164 -0.907 19.922 -9.252 1.00 6.86 O ATOM 2424 CG2 THR A 164 -2.039 20.657 -11.257 1.00 6.23 C ATOM 0 H THR A 164 0.029 18.590 -10.968 1.00 6.17 H new ATOM 0 HA THR A 164 0.433 21.165 -12.064 1.00 6.16 H new ATOM 0 HB THR A 164 -0.849 21.863 -9.969 1.00 6.38 H new ATOM 0 HG1 THR A 164 -0.021 19.832 -8.843 1.00 6.86 H new ATOM 0 HG21 THR A 164 -2.954 20.816 -10.686 1.00 6.23 H new ATOM 0 HG22 THR A 164 -1.991 21.377 -12.074 1.00 6.23 H new ATOM 0 HG23 THR A 164 -2.036 19.646 -11.664 1.00 6.23 H new ATOM 2432 N VAL A 165 2.218 22.257 -10.751 1.00 6.89 N ATOM 2433 CA VAL A 165 3.304 22.933 -10.042 1.00 7.69 C ATOM 2434 C VAL A 165 4.445 21.968 -9.723 1.00 7.93 C ATOM 2435 O VAL A 165 4.544 21.428 -8.620 1.00 8.39 O ATOM 2436 CB VAL A 165 2.806 23.604 -8.743 1.00 8.39 C ATOM 2437 CG1 VAL A 165 3.936 24.358 -8.059 1.00 9.20 C ATOM 2438 CG2 VAL A 165 1.642 24.540 -9.038 1.00 8.56 C ATOM 0 H VAL A 165 1.959 22.703 -11.631 1.00 6.89 H new ATOM 0 HA VAL A 165 3.679 23.710 -10.708 1.00 7.69 H new ATOM 0 HB VAL A 165 2.458 22.823 -8.067 1.00 8.39 H new ATOM 0 HG11 VAL A 165 3.563 24.823 -7.146 1.00 9.20 H new ATOM 0 HG12 VAL A 165 4.739 23.664 -7.811 1.00 9.20 H new ATOM 0 HG13 VAL A 165 4.317 25.129 -8.729 1.00 9.20 H new ATOM 0 HG21 VAL A 165 1.304 25.004 -8.111 1.00 8.56 H new ATOM 0 HG22 VAL A 165 1.965 25.314 -9.734 1.00 8.56 H new ATOM 0 HG23 VAL A 165 0.822 23.973 -9.480 1.00 8.56 H new ATOM 2448 N ALA A 166 5.307 21.753 -10.701 1.00 7.88 N ATOM 2449 CA ALA A 166 6.445 20.875 -10.516 1.00 8.33 C ATOM 2450 C ALA A 166 7.520 21.565 -9.691 1.00 8.94 C ATOM 2451 O ALA A 166 7.969 22.664 -10.023 1.00 9.11 O ATOM 2452 CB ALA A 166 7.001 20.431 -11.860 1.00 8.31 C ATOM 0 H ALA A 166 5.240 22.173 -11.628 1.00 7.88 H new ATOM 0 HA ALA A 166 6.113 19.989 -9.975 1.00 8.33 H new ATOM 0 HB1 ALA A 166 7.855 19.772 -11.701 1.00 8.31 H new ATOM 0 HB2 ALA A 166 6.229 19.897 -12.415 1.00 8.31 H new ATOM 0 HB3 ALA A 166 7.318 21.305 -12.429 1.00 8.31 H new