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 38 GLN :FLIP amide:sc= 0.218 F(o=-1.1,f=0.42) USER MOD Set 1.2: A 48 TYR OH : rot 30:sc= 0.206 USER MOD Set 2.1: A 34 MET CE :methyl -153:sc= -2.88! (180deg=-3.33!) USER MOD Set 2.2: A 51 MET CE :methyl 154:sc= -0.561 (180deg=-0.848) USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= -0.0745 (180deg=-0.327) USER MOD Single : A 29 TYR OH : rot 30:sc= 0.0658 USER MOD Single : A 42 LYS NZ :NH3+ -137:sc= -0.0514 (180deg=-0.372) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 156:sc= 1.11 USER MOD Single : A 49 MET CE :methyl 180:sc= -1.49 (180deg=-1.49) USER MOD Single : A 57 TYR OH : rot 150:sc=-0.00667 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.029) USER MOD Single : A 99 SER OG : rot -94:sc= 0.189 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 110:sc= 0 USER MOD Single : A 112 MET CE :methyl 171:sc= -1.43 (180deg=-1.58) USER MOD Single : A 115 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.23) USER MOD Single : A 126 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.11) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -0.432 K(o=-0.43,f=-1.2) USER MOD Single : A 135 SER OG : rot 113:sc= -2.66! USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN :FLIP amide:sc= -0.0411 F(o=-0.82,f=-0.041) USER MOD Single : A 146 GLN :FLIP amide:sc= -0.0224 F(o=-1.2!,f=-0.022) USER MOD Single : A 152 GLN : amide:sc= -0.0372 K(o=-0.037,f=-2.3!) USER MOD Single : A 157 SER OG : rot 180:sc= 0 USER MOD Single : A 160 SER OG : rot 180:sc= 0 USER MOD Single : A 164 THR OG1 : rot 25:sc= 0.646 USER MOD ----------------------------------------------------------------- ATOM 308 N LYS A 25 -4.929 3.900 -34.123 1.00 8.70 N ATOM 309 CA LYS A 25 -4.374 2.593 -33.883 1.00 8.11 C ATOM 310 C LYS A 25 -3.785 2.583 -32.486 1.00 7.19 C ATOM 311 O LYS A 25 -2.576 2.547 -32.275 1.00 6.94 O ATOM 312 CB LYS A 25 -3.356 2.184 -34.965 1.00 8.62 C ATOM 313 CG LYS A 25 -2.088 3.031 -35.037 1.00 9.02 C ATOM 314 CD LYS A 25 -2.326 4.364 -35.721 1.00 9.74 C ATOM 315 CE LYS A 25 -1.048 5.182 -35.801 1.00 10.22 C ATOM 316 NZ LYS A 25 0.028 4.464 -36.532 1.00 10.38 N1+ ATOM 0 HA LYS A 25 -5.160 1.840 -33.945 1.00 8.11 H new ATOM 0 HB2 LYS A 25 -3.068 1.147 -34.793 1.00 8.62 H new ATOM 0 HB3 LYS A 25 -3.851 2.221 -35.935 1.00 8.62 H new ATOM 0 HG2 LYS A 25 -1.711 3.204 -34.029 1.00 9.02 H new ATOM 0 HG3 LYS A 25 -1.316 2.481 -35.576 1.00 9.02 H new ATOM 0 HD2 LYS A 25 -2.715 4.195 -36.725 1.00 9.74 H new ATOM 0 HD3 LYS A 25 -3.085 4.924 -35.175 1.00 9.74 H new ATOM 0 HE2 LYS A 25 -1.255 6.129 -36.299 1.00 10.22 H new ATOM 0 HE3 LYS A 25 -0.706 5.419 -34.794 1.00 10.22 H new ATOM 0 HZ1 LYS A 25 0.782 5.134 -36.786 1.00 10.38 H new ATOM 0 HZ2 LYS A 25 0.420 3.716 -35.926 1.00 10.38 H new ATOM 0 HZ3 LYS A 25 -0.364 4.039 -37.397 1.00 10.38 H new ATOM 330 N ARG A 26 -4.687 2.669 -31.531 1.00 6.90 N ATOM 331 CA ARG A 26 -4.339 2.784 -30.135 1.00 6.23 C ATOM 332 C ARG A 26 -5.308 1.957 -29.309 1.00 5.83 C ATOM 333 O ARG A 26 -6.519 2.105 -29.460 1.00 6.27 O ATOM 334 CB ARG A 26 -4.402 4.252 -29.740 1.00 6.68 C ATOM 335 CG ARG A 26 -3.407 5.103 -30.503 1.00 7.16 C ATOM 336 CD ARG A 26 -2.230 5.501 -29.633 1.00 7.38 C ATOM 337 NE ARG A 26 -1.579 4.335 -29.032 1.00 7.54 N ATOM 338 CZ ARG A 26 -0.928 4.364 -27.874 1.00 7.99 C ATOM 339 NH1 ARG A 26 -0.818 5.500 -27.197 1.00 8.33 N1+ ATOM 340 NH2 ARG A 26 -0.392 3.251 -27.391 1.00 8.37 N ATOM 0 H ARG A 26 -5.692 2.661 -31.706 1.00 6.90 H new ATOM 0 HA ARG A 26 -3.331 2.411 -29.956 1.00 6.23 H new ATOM 0 HB2 ARG A 26 -5.409 4.629 -29.918 1.00 6.68 H new ATOM 0 HB3 ARG A 26 -4.210 4.346 -28.671 1.00 6.68 H new ATOM 0 HG2 ARG A 26 -3.048 4.552 -31.372 1.00 7.16 H new ATOM 0 HG3 ARG A 26 -3.904 5.999 -30.876 1.00 7.16 H new ATOM 0 HD2 ARG A 26 -1.506 6.053 -30.232 1.00 7.38 H new ATOM 0 HD3 ARG A 26 -2.571 6.173 -28.845 1.00 7.38 H new ATOM 0 HE ARG A 26 -1.628 3.447 -29.532 1.00 7.54 H new ATOM 0 HH11 ARG A 26 -1.234 6.355 -27.565 1.00 8.33 H new ATOM 0 HH12 ARG A 26 -0.317 5.518 -26.308 1.00 8.33 H new ATOM 0 HH21 ARG A 26 -0.480 2.376 -27.908 1.00 8.37 H new ATOM 0 HH22 ARG A 26 0.108 3.270 -26.502 1.00 8.37 H new ATOM 354 N ILE A 27 -4.787 1.086 -28.459 1.00 5.15 N ATOM 355 CA ILE A 27 -5.623 0.139 -27.733 1.00 4.81 C ATOM 356 C ILE A 27 -6.732 0.818 -26.948 1.00 5.34 C ATOM 357 O ILE A 27 -6.568 1.898 -26.371 1.00 5.76 O ATOM 358 CB ILE A 27 -4.789 -0.781 -26.798 1.00 4.32 C ATOM 359 CG1 ILE A 27 -4.784 -2.208 -27.315 1.00 4.09 C ATOM 360 CG2 ILE A 27 -5.332 -0.794 -25.394 1.00 4.22 C ATOM 361 CD1 ILE A 27 -3.932 -2.412 -28.521 1.00 4.18 C ATOM 0 H ILE A 27 -3.790 1.014 -28.254 1.00 5.15 H new ATOM 0 HA ILE A 27 -6.091 -0.483 -28.496 1.00 4.81 H new ATOM 0 HB ILE A 27 -3.777 -0.377 -26.787 1.00 4.32 H new ATOM 0 HG12 ILE A 27 -4.437 -2.870 -26.521 1.00 4.09 H new ATOM 0 HG13 ILE A 27 -5.807 -2.502 -27.551 1.00 4.09 H new ATOM 0 HG21 ILE A 27 -4.720 -1.449 -24.773 1.00 4.22 H new ATOM 0 HG22 ILE A 27 -5.310 0.217 -24.986 1.00 4.22 H new ATOM 0 HG23 ILE A 27 -6.359 -1.159 -25.404 1.00 4.22 H new ATOM 0 HD11 ILE A 27 -3.981 -3.456 -28.829 1.00 4.18 H new ATOM 0 HD12 ILE A 27 -4.291 -1.777 -29.331 1.00 4.18 H new ATOM 0 HD13 ILE A 27 -2.900 -2.151 -28.286 1.00 4.18 H new ATOM 373 N LEU A 28 -7.874 0.164 -26.986 1.00 5.52 N ATOM 374 CA LEU A 28 -9.031 0.559 -26.224 1.00 6.20 C ATOM 375 C LEU A 28 -9.400 -0.558 -25.261 1.00 6.05 C ATOM 376 O LEU A 28 -9.763 -0.316 -24.109 1.00 6.59 O ATOM 377 CB LEU A 28 -10.184 0.845 -27.177 1.00 6.86 C ATOM 378 CG LEU A 28 -10.081 2.155 -27.960 1.00 7.51 C ATOM 379 CD1 LEU A 28 -11.307 2.344 -28.842 1.00 8.22 C ATOM 380 CD2 LEU A 28 -9.916 3.332 -27.013 1.00 7.71 C ATOM 0 H LEU A 28 -8.023 -0.668 -27.557 1.00 5.52 H new ATOM 0 HA LEU A 28 -8.815 1.461 -25.651 1.00 6.20 H new ATOM 0 HB2 LEU A 28 -10.258 0.022 -27.888 1.00 6.86 H new ATOM 0 HB3 LEU A 28 -11.112 0.856 -26.605 1.00 6.86 H new ATOM 0 HG LEU A 28 -9.200 2.106 -28.600 1.00 7.51 H new ATOM 0 HD11 LEU A 28 -11.218 3.281 -29.392 1.00 8.22 H new ATOM 0 HD12 LEU A 28 -11.380 1.515 -29.546 1.00 8.22 H new ATOM 0 HD13 LEU A 28 -12.202 2.372 -28.220 1.00 8.22 H new ATOM 0 HD21 LEU A 28 -9.844 4.255 -27.589 1.00 7.71 H new ATOM 0 HD22 LEU A 28 -10.777 3.386 -26.346 1.00 7.71 H new ATOM 0 HD23 LEU A 28 -9.008 3.201 -26.424 1.00 7.71 H new ATOM 392 N TYR A 29 -9.277 -1.790 -25.745 1.00 5.47 N ATOM 393 CA TYR A 29 -9.570 -2.972 -24.953 1.00 5.43 C ATOM 394 C TYR A 29 -9.106 -4.224 -25.692 1.00 4.86 C ATOM 395 O TYR A 29 -8.533 -4.141 -26.781 1.00 4.58 O ATOM 396 CB TYR A 29 -11.068 -3.071 -24.664 1.00 6.20 C ATOM 397 CG TYR A 29 -11.885 -3.447 -25.876 1.00 6.41 C ATOM 398 CD1 TYR A 29 -12.084 -2.546 -26.909 1.00 6.76 C ATOM 399 CD2 TYR A 29 -12.466 -4.701 -25.978 1.00 6.48 C ATOM 400 CE1 TYR A 29 -12.842 -2.883 -28.011 1.00 7.24 C ATOM 401 CE2 TYR A 29 -13.226 -5.047 -27.075 1.00 6.91 C ATOM 402 CZ TYR A 29 -13.361 -4.143 -28.122 1.00 7.33 C ATOM 403 OH TYR A 29 -14.164 -4.470 -29.191 1.00 7.99 O ATOM 0 H TYR A 29 -8.971 -1.993 -26.697 1.00 5.47 H new ATOM 0 HA TYR A 29 -9.036 -2.891 -24.006 1.00 5.43 H new ATOM 0 HB2 TYR A 29 -11.232 -3.810 -23.880 1.00 6.20 H new ATOM 0 HB3 TYR A 29 -11.421 -2.114 -24.279 1.00 6.20 H new ATOM 0 HD1 TYR A 29 -11.639 -1.564 -26.851 1.00 6.76 H new ATOM 0 HD2 TYR A 29 -12.321 -5.419 -25.185 1.00 6.48 H new ATOM 0 HE1 TYR A 29 -13.025 -2.153 -28.785 1.00 7.24 H new ATOM 0 HE2 TYR A 29 -13.711 -6.011 -27.120 1.00 6.91 H new ATOM 0 HH TYR A 29 -13.904 -3.937 -29.971 1.00 7.99 H new ATOM 413 N TRP A 30 -9.354 -5.374 -25.082 1.00 4.95 N ATOM 414 CA TRP A 30 -8.989 -6.668 -25.639 1.00 4.73 C ATOM 415 C TRP A 30 -10.233 -7.519 -25.811 1.00 5.18 C ATOM 416 O TRP A 30 -11.176 -7.402 -25.035 1.00 5.61 O ATOM 417 CB TRP A 30 -8.031 -7.377 -24.691 1.00 4.74 C ATOM 418 CG TRP A 30 -6.594 -7.040 -24.910 1.00 4.48 C ATOM 419 CD1 TRP A 30 -5.643 -7.856 -25.444 1.00 4.66 C ATOM 420 CD2 TRP A 30 -5.937 -5.806 -24.604 1.00 4.33 C ATOM 421 NE1 TRP A 30 -4.431 -7.209 -25.466 1.00 4.65 N ATOM 422 CE2 TRP A 30 -4.585 -5.954 -24.957 1.00 4.37 C ATOM 423 CE3 TRP A 30 -6.354 -4.595 -24.057 1.00 4.46 C ATOM 424 CZ2 TRP A 30 -3.653 -4.939 -24.784 1.00 4.41 C ATOM 425 CZ3 TRP A 30 -5.430 -3.588 -23.884 1.00 4.49 C ATOM 426 CH2 TRP A 30 -4.089 -3.766 -24.244 1.00 4.40 C ATOM 0 H TRP A 30 -9.819 -5.435 -24.176 1.00 4.95 H new ATOM 0 HA TRP A 30 -8.510 -6.519 -26.607 1.00 4.73 H new ATOM 0 HB2 TRP A 30 -8.300 -7.125 -23.665 1.00 4.74 H new ATOM 0 HB3 TRP A 30 -8.161 -8.454 -24.799 1.00 4.74 H new ATOM 0 HD1 TRP A 30 -5.816 -8.862 -25.797 1.00 4.66 H new ATOM 0 HE1 TRP A 30 -3.556 -7.605 -25.809 1.00 4.65 H new ATOM 0 HE3 TRP A 30 -7.386 -4.448 -23.773 1.00 4.46 H new ATOM 0 HZ2 TRP A 30 -2.620 -5.074 -25.067 1.00 4.41 H new ATOM 0 HZ3 TRP A 30 -5.746 -2.645 -23.463 1.00 4.49 H new ATOM 0 HH2 TRP A 30 -3.387 -2.959 -24.091 1.00 4.40 H new ATOM 437 N ARG A 31 -10.240 -8.353 -26.836 1.00 5.31 N ATOM 438 CA ARG A 31 -11.361 -9.232 -27.087 1.00 5.89 C ATOM 439 C ARG A 31 -10.871 -10.566 -27.624 1.00 6.18 C ATOM 440 O ARG A 31 -9.829 -10.638 -28.281 1.00 6.15 O ATOM 441 CB ARG A 31 -12.345 -8.590 -28.076 1.00 6.39 C ATOM 442 CG ARG A 31 -12.047 -8.906 -29.533 1.00 6.58 C ATOM 443 CD ARG A 31 -12.316 -7.721 -30.444 1.00 7.25 C ATOM 444 NE ARG A 31 -13.621 -7.101 -30.204 1.00 7.68 N ATOM 445 CZ ARG A 31 -14.625 -7.102 -31.081 1.00 8.49 C ATOM 446 NH1 ARG A 31 -14.523 -7.775 -32.222 1.00 8.90 N1+ ATOM 447 NH2 ARG A 31 -15.738 -6.430 -30.813 1.00 9.06 N ATOM 0 H ARG A 31 -9.478 -8.438 -27.508 1.00 5.31 H new ATOM 0 HA ARG A 31 -11.883 -9.401 -26.145 1.00 5.89 H new ATOM 0 HB2 ARG A 31 -13.354 -8.927 -27.840 1.00 6.39 H new ATOM 0 HB3 ARG A 31 -12.330 -7.509 -27.938 1.00 6.39 H new ATOM 0 HG2 ARG A 31 -11.004 -9.208 -29.631 1.00 6.58 H new ATOM 0 HG3 ARG A 31 -12.656 -9.752 -29.851 1.00 6.58 H new ATOM 0 HD2 ARG A 31 -11.534 -6.975 -30.302 1.00 7.25 H new ATOM 0 HD3 ARG A 31 -12.260 -8.048 -31.482 1.00 7.25 H new ATOM 0 HE ARG A 31 -13.771 -6.638 -29.308 1.00 7.68 H new ATOM 0 HH11 ARG A 31 -13.672 -8.296 -32.432 1.00 8.90 H new ATOM 0 HH12 ARG A 31 -15.296 -7.771 -32.888 1.00 8.90 H new ATOM 0 HH21 ARG A 31 -15.824 -5.914 -29.937 1.00 9.06 H new ATOM 0 HH22 ARG A 31 -16.507 -6.430 -31.483 1.00 9.06 H new ATOM 461 N ASP A 32 -11.611 -11.611 -27.332 1.00 6.64 N ATOM 462 CA ASP A 32 -11.316 -12.931 -27.864 1.00 7.19 C ATOM 463 C ASP A 32 -11.924 -13.046 -29.255 1.00 7.82 C ATOM 464 O ASP A 32 -13.076 -12.667 -29.470 1.00 8.07 O ATOM 465 CB ASP A 32 -11.916 -13.999 -26.946 1.00 7.56 C ATOM 466 CG ASP A 32 -11.401 -15.389 -27.161 1.00 7.94 C ATOM 467 OD1 ASP A 32 -11.113 -15.723 -28.316 1.00 8.31 O1- ATOM 468 OD2 ASP A 32 -11.200 -16.129 -26.186 1.00 8.10 O ATOM 0 H ASP A 32 -12.429 -11.576 -26.724 1.00 6.64 H new ATOM 0 HA ASP A 32 -10.237 -13.077 -27.920 1.00 7.19 H new ATOM 0 HB2 ASP A 32 -11.725 -13.714 -25.911 1.00 7.56 H new ATOM 0 HB3 ASP A 32 -12.998 -14.005 -27.081 1.00 7.56 H new ATOM 473 N PRO A 33 -11.149 -13.525 -30.225 1.00 8.28 N ATOM 474 CA PRO A 33 -11.656 -13.831 -31.562 1.00 9.11 C ATOM 475 C PRO A 33 -12.828 -14.817 -31.532 1.00 9.74 C ATOM 476 O PRO A 33 -13.584 -14.922 -32.497 1.00 10.41 O ATOM 477 CB PRO A 33 -10.456 -14.455 -32.275 1.00 9.60 C ATOM 478 CG PRO A 33 -9.264 -13.970 -31.523 1.00 8.98 C ATOM 479 CD PRO A 33 -9.706 -13.761 -30.104 1.00 8.23 C ATOM 0 HA PRO A 33 -12.044 -12.940 -32.056 1.00 9.11 H new ATOM 0 HB2 PRO A 33 -10.513 -15.543 -32.264 1.00 9.60 H new ATOM 0 HB3 PRO A 33 -10.415 -14.148 -33.320 1.00 9.60 H new ATOM 0 HG2 PRO A 33 -8.453 -14.696 -31.573 1.00 8.98 H new ATOM 0 HG3 PRO A 33 -8.887 -13.041 -31.952 1.00 8.98 H new ATOM 0 HD2 PRO A 33 -9.493 -14.632 -29.485 1.00 8.23 H new ATOM 0 HD3 PRO A 33 -9.198 -12.912 -29.646 1.00 8.23 H new ATOM 487 N MET A 34 -12.973 -15.539 -30.422 1.00 9.60 N ATOM 488 CA MET A 34 -14.106 -16.444 -30.244 1.00 10.19 C ATOM 489 C MET A 34 -15.289 -15.745 -29.587 1.00 9.99 C ATOM 490 O MET A 34 -16.349 -16.350 -29.407 1.00 10.53 O ATOM 491 CB MET A 34 -13.750 -17.652 -29.369 1.00 10.40 C ATOM 492 CG MET A 34 -12.959 -18.751 -30.055 1.00 10.85 C ATOM 493 SD MET A 34 -11.232 -18.841 -29.530 1.00 10.55 S ATOM 494 CE MET A 34 -10.497 -17.594 -30.577 1.00 10.30 C ATOM 0 H MET A 34 -12.323 -15.515 -29.636 1.00 9.60 H new ATOM 0 HA MET A 34 -14.370 -16.776 -31.248 1.00 10.19 H new ATOM 0 HB2 MET A 34 -13.178 -17.300 -28.511 1.00 10.40 H new ATOM 0 HB3 MET A 34 -14.674 -18.082 -28.982 1.00 10.40 H new ATOM 0 HG2 MET A 34 -13.440 -19.709 -29.858 1.00 10.85 H new ATOM 0 HG3 MET A 34 -12.994 -18.593 -31.133 1.00 10.85 H new ATOM 0 HE1 MET A 34 -9.446 -17.832 -30.743 1.00 10.30 H new ATOM 0 HE2 MET A 34 -11.019 -17.568 -31.534 1.00 10.30 H new ATOM 0 HE3 MET A 34 -10.577 -16.620 -30.094 1.00 10.30 H new ATOM 504 N VAL A 35 -15.134 -14.479 -29.240 1.00 9.32 N ATOM 505 CA VAL A 35 -16.205 -13.759 -28.554 1.00 9.27 C ATOM 506 C VAL A 35 -16.499 -12.374 -29.182 1.00 9.25 C ATOM 507 O VAL A 35 -16.821 -11.419 -28.473 1.00 8.98 O ATOM 508 CB VAL A 35 -15.850 -13.613 -27.056 1.00 8.70 C ATOM 509 CG1 VAL A 35 -15.376 -14.952 -26.504 1.00 8.84 C ATOM 510 CG2 VAL A 35 -14.797 -12.532 -26.843 1.00 7.95 C ATOM 0 H VAL A 35 -14.292 -13.931 -29.416 1.00 9.32 H new ATOM 0 HA VAL A 35 -17.117 -14.345 -28.665 1.00 9.27 H new ATOM 0 HB VAL A 35 -16.745 -13.307 -26.515 1.00 8.70 H new ATOM 0 HG11 VAL A 35 -15.127 -14.843 -25.448 1.00 8.84 H new ATOM 0 HG12 VAL A 35 -16.168 -15.692 -26.616 1.00 8.84 H new ATOM 0 HG13 VAL A 35 -14.493 -15.280 -27.053 1.00 8.84 H new ATOM 0 HG21 VAL A 35 -14.567 -12.452 -25.780 1.00 7.95 H new ATOM 0 HG22 VAL A 35 -13.892 -12.793 -27.391 1.00 7.95 H new ATOM 0 HG23 VAL A 35 -15.178 -11.577 -27.205 1.00 7.95 H new ATOM 520 N PRO A 36 -16.477 -12.258 -30.530 1.00 9.74 N ATOM 521 CA PRO A 36 -16.561 -10.963 -31.224 1.00 9.85 C ATOM 522 C PRO A 36 -17.740 -10.112 -30.750 1.00 10.22 C ATOM 523 O PRO A 36 -18.902 -10.441 -30.994 1.00 10.95 O ATOM 524 CB PRO A 36 -16.730 -11.350 -32.701 1.00 10.65 C ATOM 525 CG PRO A 36 -17.154 -12.774 -32.670 1.00 11.10 C ATOM 526 CD PRO A 36 -16.447 -13.362 -31.492 1.00 10.41 C ATOM 0 HA PRO A 36 -15.681 -10.349 -31.032 1.00 9.85 H new ATOM 0 HB2 PRO A 36 -17.476 -10.725 -33.192 1.00 10.65 H new ATOM 0 HB3 PRO A 36 -15.798 -11.226 -33.252 1.00 10.65 H new ATOM 0 HG2 PRO A 36 -18.235 -12.862 -32.566 1.00 11.10 H new ATOM 0 HG3 PRO A 36 -16.880 -13.288 -33.592 1.00 11.10 H new ATOM 0 HD2 PRO A 36 -16.957 -14.247 -31.112 1.00 10.41 H new ATOM 0 HD3 PRO A 36 -15.428 -13.661 -31.737 1.00 10.41 H new ATOM 534 N GLY A 37 -17.425 -9.023 -30.061 1.00 9.82 N ATOM 535 CA GLY A 37 -18.452 -8.154 -29.517 1.00 10.31 C ATOM 536 C GLY A 37 -18.220 -7.873 -28.048 1.00 9.86 C ATOM 537 O GLY A 37 -18.539 -6.794 -27.555 1.00 10.21 O ATOM 0 H GLY A 37 -16.469 -8.724 -29.868 1.00 9.82 H new ATOM 0 HA2 GLY A 37 -18.466 -7.215 -30.070 1.00 10.31 H new ATOM 0 HA3 GLY A 37 -19.430 -8.617 -29.650 1.00 10.31 H new ATOM 541 N GLN A 38 -17.645 -8.850 -27.363 1.00 9.21 N ATOM 542 CA GLN A 38 -17.352 -8.743 -25.938 1.00 8.88 C ATOM 543 C GLN A 38 -16.214 -7.752 -25.684 1.00 8.38 C ATOM 544 O GLN A 38 -15.051 -8.020 -25.985 1.00 8.00 O ATOM 545 CB GLN A 38 -17.010 -10.134 -25.389 1.00 8.51 C ATOM 546 CG GLN A 38 -16.430 -10.164 -23.987 1.00 8.11 C ATOM 547 CD GLN A 38 -17.358 -9.609 -22.934 1.00 8.18 C ATOM 548 OE1 GLN A 38 -17.190 -8.341 -22.641 1.00 8.47 O flip ATOM 549 NE2 GLN A 38 -18.186 -10.325 -22.373 1.00 8.21 N flip ATOM 0 H GLN A 38 -17.368 -9.740 -27.777 1.00 9.21 H new ATOM 0 HA GLN A 38 -18.231 -8.361 -25.418 1.00 8.88 H new ATOM 0 HB2 GLN A 38 -17.915 -10.742 -25.401 1.00 8.51 H new ATOM 0 HB3 GLN A 38 -16.299 -10.607 -26.067 1.00 8.51 H new ATOM 0 HG2 GLN A 38 -16.177 -11.193 -23.730 1.00 8.11 H new ATOM 0 HG3 GLN A 38 -15.500 -9.595 -23.976 1.00 8.11 H new ATOM 0 HE21 GLN A 38 -18.276 -11.306 -22.639 1.00 8.21 H new ATOM 0 HE22 GLN A 38 -18.783 -9.938 -21.642 1.00 8.21 H new ATOM 558 N ARG A 39 -16.579 -6.598 -25.146 1.00 8.53 N ATOM 559 CA ARG A 39 -15.621 -5.568 -24.770 1.00 8.21 C ATOM 560 C ARG A 39 -15.105 -5.804 -23.361 1.00 8.04 C ATOM 561 O ARG A 39 -15.758 -5.450 -22.379 1.00 8.70 O ATOM 562 CB ARG A 39 -16.270 -4.192 -24.840 1.00 8.96 C ATOM 563 CG ARG A 39 -16.049 -3.489 -26.162 1.00 8.86 C ATOM 564 CD ARG A 39 -16.450 -2.030 -26.090 1.00 9.10 C ATOM 565 NE ARG A 39 -17.856 -1.855 -25.722 1.00 10.02 N ATOM 566 CZ ARG A 39 -18.515 -0.700 -25.807 1.00 10.60 C ATOM 567 NH1 ARG A 39 -17.915 0.380 -26.296 1.00 10.42 N1+ ATOM 568 NH2 ARG A 39 -19.778 -0.633 -25.410 1.00 11.51 N ATOM 0 H ARG A 39 -17.550 -6.348 -24.957 1.00 8.53 H new ATOM 0 HA ARG A 39 -14.786 -5.614 -25.469 1.00 8.21 H new ATOM 0 HB2 ARG A 39 -17.341 -4.295 -24.666 1.00 8.96 H new ATOM 0 HB3 ARG A 39 -15.875 -3.571 -24.036 1.00 8.96 H new ATOM 0 HG2 ARG A 39 -14.999 -3.565 -26.444 1.00 8.86 H new ATOM 0 HG3 ARG A 39 -16.626 -3.988 -26.941 1.00 8.86 H new ATOM 0 HD2 ARG A 39 -15.820 -1.519 -25.362 1.00 9.10 H new ATOM 0 HD3 ARG A 39 -16.269 -1.558 -27.056 1.00 9.10 H new ATOM 0 HE ARG A 39 -18.364 -2.670 -25.378 1.00 10.02 H new ATOM 0 HH11 ARG A 39 -16.945 0.327 -26.608 1.00 10.42 H new ATOM 0 HH12 ARG A 39 -18.424 1.262 -26.359 1.00 10.42 H new ATOM 0 HH21 ARG A 39 -20.241 -1.463 -25.041 1.00 11.51 H new ATOM 0 HH22 ARG A 39 -20.286 0.249 -25.473 1.00 11.51 H new ATOM 582 N PHE A 40 -13.939 -6.423 -23.272 1.00 7.31 N ATOM 583 CA PHE A 40 -13.309 -6.666 -21.985 1.00 7.34 C ATOM 584 C PHE A 40 -12.724 -5.373 -21.465 1.00 7.47 C ATOM 585 O PHE A 40 -12.206 -4.555 -22.223 1.00 7.06 O ATOM 586 CB PHE A 40 -12.199 -7.707 -22.110 1.00 6.76 C ATOM 587 CG PHE A 40 -12.686 -9.086 -22.434 1.00 6.92 C ATOM 588 CD1 PHE A 40 -12.925 -9.455 -23.744 1.00 6.93 C ATOM 589 CD2 PHE A 40 -12.888 -10.017 -21.431 1.00 7.27 C ATOM 590 CE1 PHE A 40 -13.358 -10.724 -24.050 1.00 7.26 C ATOM 591 CE2 PHE A 40 -13.320 -11.293 -21.732 1.00 7.50 C ATOM 592 CZ PHE A 40 -13.556 -11.649 -23.044 1.00 7.49 C ATOM 0 H PHE A 40 -13.411 -6.766 -24.074 1.00 7.31 H new ATOM 0 HA PHE A 40 -14.063 -7.044 -21.294 1.00 7.34 H new ATOM 0 HB2 PHE A 40 -11.502 -7.388 -22.885 1.00 6.76 H new ATOM 0 HB3 PHE A 40 -11.641 -7.741 -21.174 1.00 6.76 H new ATOM 0 HD1 PHE A 40 -12.770 -8.738 -24.537 1.00 6.93 H new ATOM 0 HD2 PHE A 40 -12.706 -9.743 -20.402 1.00 7.27 H new ATOM 0 HE1 PHE A 40 -13.543 -10.997 -25.078 1.00 7.26 H new ATOM 0 HE2 PHE A 40 -13.473 -12.012 -20.941 1.00 7.50 H new ATOM 0 HZ PHE A 40 -13.894 -12.646 -23.283 1.00 7.49 H new ATOM 602 N ASP A 41 -12.815 -5.216 -20.151 1.00 8.18 N ATOM 603 CA ASP A 41 -12.374 -4.010 -19.466 1.00 8.62 C ATOM 604 C ASP A 41 -10.882 -3.811 -19.621 1.00 8.07 C ATOM 605 O ASP A 41 -10.399 -2.683 -19.591 1.00 8.18 O ATOM 606 CB ASP A 41 -12.716 -4.106 -17.981 1.00 9.62 C ATOM 607 CG ASP A 41 -14.152 -3.731 -17.689 1.00 10.23 C ATOM 608 OD1 ASP A 41 -15.039 -4.600 -17.817 1.00 10.61 O ATOM 609 OD2 ASP A 41 -14.401 -2.567 -17.317 1.00 10.48 O1- ATOM 0 H ASP A 41 -13.199 -5.926 -19.528 1.00 8.18 H new ATOM 0 HA ASP A 41 -12.888 -3.159 -19.913 1.00 8.62 H new ATOM 0 HB2 ASP A 41 -12.532 -5.123 -17.635 1.00 9.62 H new ATOM 0 HB3 ASP A 41 -12.052 -3.452 -17.416 1.00 9.62 H new ATOM 614 N LYS A 42 -10.151 -4.908 -19.764 1.00 7.60 N ATOM 615 CA LYS A 42 -8.707 -4.839 -19.868 1.00 7.23 C ATOM 616 C LYS A 42 -8.116 -6.140 -20.406 1.00 6.69 C ATOM 617 O LYS A 42 -8.810 -7.159 -20.429 1.00 6.78 O ATOM 618 CB LYS A 42 -8.088 -4.483 -18.508 1.00 8.14 C ATOM 619 CG LYS A 42 -8.602 -5.344 -17.367 1.00 8.90 C ATOM 620 CD LYS A 42 -8.011 -4.916 -16.035 1.00 9.77 C ATOM 621 CE LYS A 42 -8.553 -5.756 -14.890 1.00 10.52 C ATOM 622 NZ LYS A 42 -10.037 -5.689 -14.805 1.00 10.91 N1+ ATOM 0 H LYS A 42 -10.536 -5.851 -19.810 1.00 7.60 H new ATOM 0 HA LYS A 42 -8.464 -4.051 -20.581 1.00 7.23 H new ATOM 0 HB2 LYS A 42 -7.005 -4.587 -18.572 1.00 8.14 H new ATOM 0 HB3 LYS A 42 -8.296 -3.436 -18.286 1.00 8.14 H new ATOM 0 HG2 LYS A 42 -9.689 -5.278 -17.322 1.00 8.90 H new ATOM 0 HG3 LYS A 42 -8.354 -6.388 -17.558 1.00 8.90 H new ATOM 0 HD2 LYS A 42 -6.925 -5.006 -16.072 1.00 9.77 H new ATOM 0 HD3 LYS A 42 -8.238 -3.865 -15.856 1.00 9.77 H new ATOM 0 HE2 LYS A 42 -8.244 -6.793 -15.023 1.00 10.52 H new ATOM 0 HE3 LYS A 42 -8.120 -5.412 -13.951 1.00 10.52 H new ATOM 0 HZ1 LYS A 42 -10.323 -5.587 -13.810 1.00 10.91 H new ATOM 0 HZ2 LYS A 42 -10.379 -4.872 -15.350 1.00 10.91 H new ATOM 0 HZ3 LYS A 42 -10.447 -6.562 -15.195 1.00 10.91 H new ATOM 636 N PRO A 43 -6.854 -6.117 -20.860 1.00 6.27 N ATOM 637 CA PRO A 43 -6.136 -7.302 -21.356 1.00 6.04 C ATOM 638 C PRO A 43 -6.186 -8.502 -20.396 1.00 6.80 C ATOM 639 O PRO A 43 -6.656 -8.401 -19.255 1.00 7.51 O ATOM 640 CB PRO A 43 -4.688 -6.800 -21.523 1.00 6.00 C ATOM 641 CG PRO A 43 -4.646 -5.512 -20.773 1.00 6.35 C ATOM 642 CD PRO A 43 -6.011 -4.926 -20.959 1.00 6.19 C ATOM 0 HA PRO A 43 -6.587 -7.679 -22.274 1.00 6.04 H new ATOM 0 HB2 PRO A 43 -3.972 -7.516 -21.121 1.00 6.00 H new ATOM 0 HB3 PRO A 43 -4.438 -6.655 -22.574 1.00 6.00 H new ATOM 0 HG2 PRO A 43 -4.424 -5.674 -19.718 1.00 6.35 H new ATOM 0 HG3 PRO A 43 -3.873 -4.850 -21.164 1.00 6.35 H new ATOM 0 HD2 PRO A 43 -6.249 -4.189 -20.192 1.00 6.19 H new ATOM 0 HD3 PRO A 43 -6.116 -4.428 -21.923 1.00 6.19 H new ATOM 650 N GLY A 44 -5.720 -9.644 -20.875 1.00 6.81 N ATOM 651 CA GLY A 44 -5.662 -10.826 -20.043 1.00 7.59 C ATOM 652 C GLY A 44 -6.042 -12.076 -20.803 1.00 7.56 C ATOM 653 O GLY A 44 -6.035 -12.081 -22.035 1.00 7.08 O ATOM 0 H GLY A 44 -5.380 -9.774 -21.828 1.00 6.81 H new ATOM 0 HA2 GLY A 44 -4.654 -10.938 -19.643 1.00 7.59 H new ATOM 0 HA3 GLY A 44 -6.331 -10.703 -19.192 1.00 7.59 H new ATOM 657 N LYS A 45 -6.357 -13.135 -20.076 1.00 8.20 N ATOM 658 CA LYS A 45 -6.794 -14.377 -20.677 1.00 8.37 C ATOM 659 C LYS A 45 -8.314 -14.438 -20.741 1.00 8.15 C ATOM 660 O LYS A 45 -9.011 -13.871 -19.896 1.00 8.27 O ATOM 661 CB LYS A 45 -6.269 -15.540 -19.859 1.00 9.30 C ATOM 662 CG LYS A 45 -6.624 -16.887 -20.451 1.00 9.65 C ATOM 663 CD LYS A 45 -6.140 -18.002 -19.572 1.00 10.42 C ATOM 664 CE LYS A 45 -6.743 -17.935 -18.174 1.00 11.07 C ATOM 665 NZ LYS A 45 -6.262 -19.036 -17.301 1.00 11.68 N1+ ATOM 0 H LYS A 45 -6.316 -13.155 -19.057 1.00 8.20 H new ATOM 0 HA LYS A 45 -6.404 -14.434 -21.693 1.00 8.37 H new ATOM 0 HB2 LYS A 45 -5.185 -15.460 -19.777 1.00 9.30 H new ATOM 0 HB3 LYS A 45 -6.671 -15.476 -18.848 1.00 9.30 H new ATOM 0 HG2 LYS A 45 -7.704 -16.960 -20.577 1.00 9.65 H new ATOM 0 HG3 LYS A 45 -6.181 -16.981 -21.442 1.00 9.65 H new ATOM 0 HD2 LYS A 45 -6.392 -18.959 -20.029 1.00 10.42 H new ATOM 0 HD3 LYS A 45 -5.053 -17.960 -19.500 1.00 10.42 H new ATOM 0 HE2 LYS A 45 -6.493 -16.977 -17.718 1.00 11.07 H new ATOM 0 HE3 LYS A 45 -7.830 -17.980 -18.247 1.00 11.07 H new ATOM 0 HZ1 LYS A 45 -6.698 -18.950 -16.361 1.00 11.68 H new ATOM 0 HZ2 LYS A 45 -6.523 -19.951 -17.721 1.00 11.68 H new ATOM 0 HZ3 LYS A 45 -5.228 -18.979 -17.209 1.00 11.68 H new ATOM 679 N SER A 46 -8.807 -15.127 -21.760 1.00 8.03 N ATOM 680 CA SER A 46 -10.228 -15.304 -21.964 1.00 7.98 C ATOM 681 C SER A 46 -10.840 -16.134 -20.845 1.00 8.64 C ATOM 682 O SER A 46 -10.296 -17.171 -20.466 1.00 9.20 O ATOM 683 CB SER A 46 -10.475 -15.971 -23.315 1.00 8.03 C ATOM 684 OG SER A 46 -11.858 -16.098 -23.590 1.00 8.36 O ATOM 0 H SER A 46 -8.227 -15.578 -22.468 1.00 8.03 H new ATOM 0 HA SER A 46 -10.705 -14.324 -21.954 1.00 7.98 H new ATOM 0 HB2 SER A 46 -9.999 -15.386 -24.102 1.00 8.03 H new ATOM 0 HB3 SER A 46 -10.010 -16.957 -23.325 1.00 8.03 H new ATOM 0 HG SER A 46 -11.995 -16.157 -24.559 1.00 8.36 H new ATOM 690 N PRO A 47 -11.960 -15.678 -20.285 1.00 8.70 N ATOM 691 CA PRO A 47 -12.695 -16.442 -19.282 1.00 9.38 C ATOM 692 C PRO A 47 -13.418 -17.633 -19.899 1.00 9.63 C ATOM 693 O PRO A 47 -13.684 -18.640 -19.236 1.00 10.25 O ATOM 694 CB PRO A 47 -13.691 -15.425 -18.726 1.00 9.45 C ATOM 695 CG PRO A 47 -13.899 -14.455 -19.834 1.00 8.81 C ATOM 696 CD PRO A 47 -12.584 -14.372 -20.559 1.00 8.26 C ATOM 0 HA PRO A 47 -12.043 -16.868 -18.520 1.00 9.38 H new ATOM 0 HB2 PRO A 47 -14.627 -15.904 -18.438 1.00 9.45 H new ATOM 0 HB3 PRO A 47 -13.299 -14.932 -17.837 1.00 9.45 H new ATOM 0 HG2 PRO A 47 -14.693 -14.789 -20.502 1.00 8.81 H new ATOM 0 HG3 PRO A 47 -14.195 -13.479 -19.449 1.00 8.81 H new ATOM 0 HD2 PRO A 47 -12.724 -14.210 -21.628 1.00 8.26 H new ATOM 0 HD3 PRO A 47 -11.972 -13.549 -20.189 1.00 8.26 H new ATOM 704 N TYR A 48 -13.705 -17.508 -21.195 1.00 9.26 N ATOM 705 CA TYR A 48 -14.502 -18.474 -21.912 1.00 9.61 C ATOM 706 C TYR A 48 -13.676 -19.709 -22.215 1.00 9.96 C ATOM 707 O TYR A 48 -14.193 -20.824 -22.223 1.00 10.49 O ATOM 708 CB TYR A 48 -15.019 -17.844 -23.196 1.00 9.34 C ATOM 709 CG TYR A 48 -15.945 -16.667 -22.977 1.00 9.17 C ATOM 710 CD1 TYR A 48 -17.229 -16.846 -22.468 1.00 9.63 C ATOM 711 CD2 TYR A 48 -15.531 -15.376 -23.264 1.00 8.69 C ATOM 712 CE1 TYR A 48 -18.068 -15.770 -22.259 1.00 9.70 C ATOM 713 CE2 TYR A 48 -16.362 -14.296 -23.055 1.00 8.75 C ATOM 714 CZ TYR A 48 -17.659 -14.513 -22.595 1.00 9.30 C ATOM 715 OH TYR A 48 -18.461 -13.423 -22.334 1.00 9.57 O ATOM 0 H TYR A 48 -13.385 -16.728 -21.769 1.00 9.26 H new ATOM 0 HA TYR A 48 -15.351 -18.776 -21.298 1.00 9.61 H new ATOM 0 HB2 TYR A 48 -14.169 -17.518 -23.796 1.00 9.34 H new ATOM 0 HB3 TYR A 48 -15.545 -18.603 -23.775 1.00 9.34 H new ATOM 0 HD1 TYR A 48 -17.574 -17.842 -22.233 1.00 9.63 H new ATOM 0 HD2 TYR A 48 -14.539 -15.213 -23.659 1.00 8.69 H new ATOM 0 HE1 TYR A 48 -19.047 -15.923 -21.830 1.00 9.70 H new ATOM 0 HE2 TYR A 48 -16.011 -13.293 -23.246 1.00 8.75 H new ATOM 0 HH TYR A 48 -19.007 -13.601 -21.540 1.00 9.57 H new ATOM 725 N MET A 49 -12.402 -19.493 -22.522 1.00 9.74 N ATOM 726 CA MET A 49 -11.437 -20.573 -22.614 1.00 10.23 C ATOM 727 C MET A 49 -10.010 -20.031 -22.408 1.00 10.20 C ATOM 728 O MET A 49 -9.781 -18.832 -22.542 1.00 9.87 O ATOM 729 CB MET A 49 -11.562 -21.318 -23.929 1.00 10.28 C ATOM 730 CG MET A 49 -11.095 -20.530 -25.111 1.00 10.38 C ATOM 731 SD MET A 49 -11.836 -18.904 -25.223 1.00 10.09 S ATOM 732 CE MET A 49 -13.516 -19.285 -25.644 1.00 9.55 C ATOM 0 H MET A 49 -12.014 -18.569 -22.712 1.00 9.74 H new ATOM 0 HA MET A 49 -11.649 -21.289 -21.820 1.00 10.23 H new ATOM 0 HB2 MET A 49 -10.987 -22.242 -23.869 1.00 10.28 H new ATOM 0 HB3 MET A 49 -12.604 -21.600 -24.080 1.00 10.28 H new ATOM 0 HG2 MET A 49 -10.011 -20.424 -25.062 1.00 10.38 H new ATOM 0 HG3 MET A 49 -11.320 -21.087 -26.021 1.00 10.38 H new ATOM 0 HE1 MET A 49 -14.085 -18.361 -25.743 1.00 9.55 H new ATOM 0 HE2 MET A 49 -13.540 -19.829 -26.588 1.00 9.55 H new ATOM 0 HE3 MET A 49 -13.957 -19.900 -24.860 1.00 9.55 H new ATOM 742 N ASP A 50 -9.046 -20.903 -22.130 1.00 10.69 N ATOM 743 CA ASP A 50 -7.721 -20.466 -21.652 1.00 10.83 C ATOM 744 C ASP A 50 -6.742 -20.060 -22.769 1.00 10.64 C ATOM 745 O ASP A 50 -5.822 -20.797 -23.124 1.00 11.23 O ATOM 746 CB ASP A 50 -7.095 -21.548 -20.764 1.00 11.76 C ATOM 747 CG ASP A 50 -7.036 -22.916 -21.414 1.00 12.21 C ATOM 748 OD1 ASP A 50 -8.101 -23.479 -21.744 1.00 12.33 O1- ATOM 749 OD2 ASP A 50 -5.920 -23.447 -21.588 1.00 12.54 O ATOM 0 H ASP A 50 -9.148 -21.914 -22.224 1.00 10.69 H new ATOM 0 HA ASP A 50 -7.900 -19.559 -21.074 1.00 10.83 H new ATOM 0 HB2 ASP A 50 -6.085 -21.242 -20.492 1.00 11.76 H new ATOM 0 HB3 ASP A 50 -7.666 -21.620 -19.839 1.00 11.76 H new ATOM 754 N MET A 51 -6.966 -18.878 -23.326 1.00 9.87 N ATOM 755 CA MET A 51 -6.010 -18.219 -24.222 1.00 9.64 C ATOM 756 C MET A 51 -6.032 -16.727 -23.958 1.00 8.84 C ATOM 757 O MET A 51 -7.082 -16.175 -23.629 1.00 8.36 O ATOM 758 CB MET A 51 -6.351 -18.484 -25.686 1.00 9.70 C ATOM 759 CG MET A 51 -7.833 -18.518 -25.933 1.00 9.43 C ATOM 760 SD MET A 51 -8.550 -17.033 -26.672 1.00 9.38 S ATOM 761 CE MET A 51 -7.852 -16.957 -28.305 1.00 9.04 C ATOM 0 H MET A 51 -7.820 -18.341 -23.172 1.00 9.87 H new ATOM 0 HA MET A 51 -5.016 -18.623 -24.028 1.00 9.64 H new ATOM 0 HB2 MET A 51 -5.900 -17.710 -26.307 1.00 9.70 H new ATOM 0 HB3 MET A 51 -5.913 -19.434 -25.992 1.00 9.70 H new ATOM 0 HG2 MET A 51 -8.053 -19.365 -26.583 1.00 9.43 H new ATOM 0 HG3 MET A 51 -8.335 -18.705 -24.984 1.00 9.43 H new ATOM 0 HE1 MET A 51 -8.527 -16.412 -28.964 1.00 9.04 H new ATOM 0 HE2 MET A 51 -6.891 -16.445 -28.266 1.00 9.04 H new ATOM 0 HE3 MET A 51 -7.710 -17.968 -28.687 1.00 9.04 H new ATOM 771 N PRO A 52 -4.883 -16.056 -24.076 1.00 8.77 N ATOM 772 CA PRO A 52 -4.811 -14.612 -23.893 1.00 8.04 C ATOM 773 C PRO A 52 -5.571 -13.877 -24.994 1.00 7.35 C ATOM 774 O PRO A 52 -5.421 -14.198 -26.176 1.00 7.56 O ATOM 775 CB PRO A 52 -3.311 -14.291 -23.961 1.00 8.35 C ATOM 776 CG PRO A 52 -2.619 -15.609 -23.832 1.00 9.16 C ATOM 777 CD PRO A 52 -3.566 -16.633 -24.388 1.00 9.51 C ATOM 0 HA PRO A 52 -5.264 -14.295 -22.953 1.00 8.04 H new ATOM 0 HB2 PRO A 52 -3.056 -13.803 -24.902 1.00 8.35 H new ATOM 0 HB3 PRO A 52 -3.017 -13.613 -23.160 1.00 8.35 H new ATOM 0 HG2 PRO A 52 -1.677 -15.610 -24.381 1.00 9.16 H new ATOM 0 HG3 PRO A 52 -2.381 -15.824 -22.790 1.00 9.16 H new ATOM 0 HD2 PRO A 52 -3.428 -16.772 -25.460 1.00 9.51 H new ATOM 0 HD3 PRO A 52 -3.429 -17.608 -23.920 1.00 9.51 H new ATOM 785 N LEU A 53 -6.374 -12.895 -24.601 1.00 6.71 N ATOM 786 CA LEU A 53 -7.231 -12.173 -25.538 1.00 6.20 C ATOM 787 C LEU A 53 -6.403 -11.431 -26.583 1.00 5.97 C ATOM 788 O LEU A 53 -5.220 -11.152 -26.375 1.00 6.05 O ATOM 789 CB LEU A 53 -8.142 -11.202 -24.777 1.00 5.79 C ATOM 790 CG LEU A 53 -9.024 -11.865 -23.724 1.00 6.23 C ATOM 791 CD1 LEU A 53 -9.604 -10.834 -22.777 1.00 6.10 C ATOM 792 CD2 LEU A 53 -10.134 -12.642 -24.403 1.00 6.57 C ATOM 0 H LEU A 53 -6.451 -12.578 -23.634 1.00 6.71 H new ATOM 0 HA LEU A 53 -7.852 -12.898 -26.063 1.00 6.20 H new ATOM 0 HB2 LEU A 53 -7.524 -10.446 -24.293 1.00 5.79 H new ATOM 0 HB3 LEU A 53 -8.779 -10.683 -25.493 1.00 5.79 H new ATOM 0 HG LEU A 53 -8.412 -12.552 -23.139 1.00 6.23 H new ATOM 0 HD11 LEU A 53 -10.229 -11.332 -22.036 1.00 6.10 H new ATOM 0 HD12 LEU A 53 -8.794 -10.306 -22.273 1.00 6.10 H new ATOM 0 HD13 LEU A 53 -10.207 -10.121 -23.340 1.00 6.10 H new ATOM 0 HD21 LEU A 53 -10.762 -13.114 -23.648 1.00 6.57 H new ATOM 0 HD22 LEU A 53 -10.738 -11.963 -25.004 1.00 6.57 H new ATOM 0 HD23 LEU A 53 -9.701 -13.408 -25.046 1.00 6.57 H new ATOM 804 N ILE A 54 -7.032 -11.113 -27.699 1.00 5.92 N ATOM 805 CA ILE A 54 -6.341 -10.486 -28.813 1.00 5.98 C ATOM 806 C ILE A 54 -6.519 -8.988 -28.744 1.00 5.33 C ATOM 807 O ILE A 54 -7.616 -8.494 -28.462 1.00 5.16 O ATOM 808 CB ILE A 54 -6.864 -11.018 -30.171 1.00 6.77 C ATOM 809 CG1 ILE A 54 -6.190 -12.350 -30.540 1.00 7.56 C ATOM 810 CG2 ILE A 54 -6.652 -10.008 -31.293 1.00 7.04 C ATOM 811 CD1 ILE A 54 -6.339 -13.451 -29.511 1.00 7.89 C ATOM 0 H ILE A 54 -8.025 -11.279 -27.860 1.00 5.92 H new ATOM 0 HA ILE A 54 -5.282 -10.733 -28.740 1.00 5.98 H new ATOM 0 HB ILE A 54 -7.935 -11.182 -30.054 1.00 6.77 H new ATOM 0 HG12 ILE A 54 -6.604 -12.699 -31.486 1.00 7.56 H new ATOM 0 HG13 ILE A 54 -5.128 -12.169 -30.705 1.00 7.56 H new ATOM 0 HG21 ILE A 54 -7.032 -10.418 -32.229 1.00 7.04 H new ATOM 0 HG22 ILE A 54 -7.185 -9.086 -31.058 1.00 7.04 H new ATOM 0 HG23 ILE A 54 -5.588 -9.796 -31.395 1.00 7.04 H new ATOM 0 HD11 ILE A 54 -5.830 -14.349 -29.862 1.00 7.89 H new ATOM 0 HD12 ILE A 54 -5.898 -13.130 -28.568 1.00 7.89 H new ATOM 0 HD13 ILE A 54 -7.397 -13.668 -29.361 1.00 7.89 H new ATOM 823 N PRO A 55 -5.441 -8.239 -28.955 1.00 5.13 N ATOM 824 CA PRO A 55 -5.502 -6.805 -28.915 1.00 4.65 C ATOM 825 C PRO A 55 -5.873 -6.180 -30.255 1.00 5.10 C ATOM 826 O PRO A 55 -5.774 -6.803 -31.313 1.00 5.77 O ATOM 827 CB PRO A 55 -4.091 -6.432 -28.494 1.00 4.51 C ATOM 828 CG PRO A 55 -3.229 -7.471 -29.131 1.00 5.22 C ATOM 829 CD PRO A 55 -4.070 -8.724 -29.215 1.00 5.58 C ATOM 0 HA PRO A 55 -6.279 -6.439 -28.243 1.00 4.65 H new ATOM 0 HB2 PRO A 55 -3.826 -5.431 -28.835 1.00 4.51 H new ATOM 0 HB3 PRO A 55 -3.985 -6.438 -27.409 1.00 4.51 H new ATOM 0 HG2 PRO A 55 -2.904 -7.153 -30.122 1.00 5.22 H new ATOM 0 HG3 PRO A 55 -2.329 -7.645 -28.541 1.00 5.22 H new ATOM 0 HD2 PRO A 55 -3.990 -9.196 -30.194 1.00 5.58 H new ATOM 0 HD3 PRO A 55 -3.760 -9.465 -28.478 1.00 5.58 H new ATOM 837 N VAL A 56 -6.296 -4.936 -30.182 1.00 5.00 N ATOM 838 CA VAL A 56 -6.778 -4.195 -31.335 1.00 5.69 C ATOM 839 C VAL A 56 -5.644 -3.458 -32.048 1.00 5.96 C ATOM 840 O VAL A 56 -4.639 -3.120 -31.441 1.00 5.52 O ATOM 841 CB VAL A 56 -7.843 -3.185 -30.896 1.00 5.77 C ATOM 842 CG1 VAL A 56 -9.058 -3.885 -30.308 1.00 5.82 C ATOM 843 CG2 VAL A 56 -7.236 -2.226 -29.909 1.00 5.28 C ATOM 0 H VAL A 56 -6.316 -4.402 -29.313 1.00 5.00 H new ATOM 0 HA VAL A 56 -7.208 -4.913 -32.033 1.00 5.69 H new ATOM 0 HB VAL A 56 -8.188 -2.629 -31.768 1.00 5.77 H new ATOM 0 HG11 VAL A 56 -9.796 -3.141 -30.006 1.00 5.82 H new ATOM 0 HG12 VAL A 56 -9.495 -4.546 -31.057 1.00 5.82 H new ATOM 0 HG13 VAL A 56 -8.756 -4.470 -29.439 1.00 5.82 H new ATOM 0 HG21 VAL A 56 -7.989 -1.504 -29.593 1.00 5.28 H new ATOM 0 HG22 VAL A 56 -6.875 -2.777 -29.041 1.00 5.28 H new ATOM 0 HG23 VAL A 56 -6.404 -1.700 -30.377 1.00 5.28 H new ATOM 853 N TYR A 57 -5.897 -3.190 -33.321 1.00 6.83 N ATOM 854 CA TYR A 57 -4.990 -2.527 -34.291 1.00 7.44 C ATOM 855 C TYR A 57 -3.520 -2.432 -33.868 1.00 7.10 C ATOM 856 O TYR A 57 -2.702 -3.226 -34.333 1.00 7.48 O ATOM 857 CB TYR A 57 -5.540 -1.143 -34.636 1.00 7.84 C ATOM 858 CG TYR A 57 -6.625 -0.694 -33.687 1.00 7.40 C ATOM 859 CD1 TYR A 57 -7.959 -0.999 -33.930 1.00 7.77 C ATOM 860 CD2 TYR A 57 -6.315 0.008 -32.536 1.00 6.79 C ATOM 861 CE1 TYR A 57 -8.950 -0.606 -33.058 1.00 7.62 C ATOM 862 CE2 TYR A 57 -7.299 0.403 -31.658 1.00 6.66 C ATOM 863 CZ TYR A 57 -8.618 0.097 -31.925 1.00 7.11 C ATOM 864 OH TYR A 57 -9.605 0.482 -31.050 1.00 7.23 O ATOM 0 H TYR A 57 -6.791 -3.438 -33.745 1.00 6.83 H new ATOM 0 HA TYR A 57 -4.975 -3.175 -35.167 1.00 7.44 H new ATOM 0 HB2 TYR A 57 -4.726 -0.419 -34.619 1.00 7.84 H new ATOM 0 HB3 TYR A 57 -5.934 -1.156 -35.652 1.00 7.84 H new ATOM 0 HD1 TYR A 57 -8.223 -1.554 -34.818 1.00 7.77 H new ATOM 0 HD2 TYR A 57 -5.284 0.250 -32.323 1.00 6.79 H new ATOM 0 HE1 TYR A 57 -9.982 -0.849 -33.264 1.00 7.62 H new ATOM 0 HE2 TYR A 57 -7.040 0.950 -30.764 1.00 6.66 H new ATOM 0 HH TYR A 57 -9.240 0.519 -30.141 1.00 7.23 H new ATOM 874 N GLU A 58 -3.179 -1.455 -33.034 1.00 6.59 N ATOM 875 CA GLU A 58 -1.796 -1.244 -32.595 1.00 6.41 C ATOM 876 C GLU A 58 -1.227 -2.541 -32.025 1.00 6.15 C ATOM 877 O GLU A 58 -0.072 -2.891 -32.284 1.00 6.62 O ATOM 878 CB GLU A 58 -1.781 -0.146 -31.534 1.00 5.89 C ATOM 879 CG GLU A 58 -1.655 -0.625 -30.099 1.00 5.18 C ATOM 880 CD GLU A 58 -1.551 0.517 -29.111 1.00 5.25 C ATOM 881 OE1 GLU A 58 -0.896 1.521 -29.431 1.00 5.25 O ATOM 882 OE2 GLU A 58 -2.130 0.417 -28.008 1.00 5.61 O1- ATOM 0 H GLU A 58 -3.845 -0.789 -32.643 1.00 6.59 H new ATOM 0 HA GLU A 58 -1.179 -0.942 -33.441 1.00 6.41 H new ATOM 0 HB2 GLU A 58 -0.953 0.530 -31.747 1.00 5.89 H new ATOM 0 HB3 GLU A 58 -2.698 0.436 -31.625 1.00 5.89 H new ATOM 0 HG2 GLU A 58 -2.519 -1.240 -29.848 1.00 5.18 H new ATOM 0 HG3 GLU A 58 -0.774 -1.261 -30.008 1.00 5.18 H new ATOM 889 N GLU A 59 -2.060 -3.241 -31.288 1.00 5.59 N ATOM 890 CA GLU A 59 -1.705 -4.505 -30.661 1.00 5.52 C ATOM 891 C GLU A 59 -0.581 -4.315 -29.647 1.00 5.43 C ATOM 892 O GLU A 59 0.612 -4.296 -29.985 1.00 6.06 O ATOM 893 CB GLU A 59 -1.319 -5.559 -31.702 1.00 6.40 C ATOM 894 CG GLU A 59 -2.443 -5.910 -32.664 1.00 6.94 C ATOM 895 CD GLU A 59 -2.020 -6.919 -33.710 1.00 7.89 C ATOM 896 OE1 GLU A 59 -1.162 -6.586 -34.553 1.00 8.58 O1- ATOM 897 OE2 GLU A 59 -2.539 -8.057 -33.690 1.00 8.12 O ATOM 0 H GLU A 59 -3.019 -2.948 -31.101 1.00 5.59 H new ATOM 0 HA GLU A 59 -2.587 -4.866 -30.132 1.00 5.52 H new ATOM 0 HB2 GLU A 59 -0.464 -5.197 -32.273 1.00 6.40 H new ATOM 0 HB3 GLU A 59 -0.998 -6.464 -31.187 1.00 6.40 H new ATOM 0 HG2 GLU A 59 -3.287 -6.308 -32.101 1.00 6.94 H new ATOM 0 HG3 GLU A 59 -2.789 -5.003 -33.159 1.00 6.94 H new ATOM 1187 N ARG A 80 2.192 3.580 -5.263 1.00 8.26 N ATOM 1188 CA ARG A 80 3.165 2.511 -5.133 1.00 8.04 C ATOM 1189 C ARG A 80 4.225 2.920 -4.124 1.00 7.16 C ATOM 1190 O ARG A 80 4.846 3.971 -4.257 1.00 6.61 O ATOM 1191 CB ARG A 80 3.810 2.211 -6.488 1.00 8.39 C ATOM 1192 CG ARG A 80 3.889 0.729 -6.832 1.00 8.96 C ATOM 1193 CD ARG A 80 4.744 -0.045 -5.840 1.00 9.63 C ATOM 1194 NE ARG A 80 4.897 -1.445 -6.231 1.00 10.25 N ATOM 1195 CZ ARG A 80 5.366 -2.402 -5.429 1.00 10.94 C ATOM 1196 NH1 ARG A 80 5.711 -2.124 -4.175 1.00 11.11 N1+ ATOM 1197 NH2 ARG A 80 5.486 -3.643 -5.881 1.00 11.64 N ATOM 0 HA ARG A 80 2.664 1.607 -4.786 1.00 8.04 H new ATOM 0 HB2 ARG A 80 3.245 2.723 -7.267 1.00 8.39 H new ATOM 0 HB3 ARG A 80 4.817 2.628 -6.498 1.00 8.39 H new ATOM 0 HG2 ARG A 80 2.884 0.308 -6.850 1.00 8.96 H new ATOM 0 HG3 ARG A 80 4.301 0.612 -7.834 1.00 8.96 H new ATOM 0 HD2 ARG A 80 5.727 0.421 -5.766 1.00 9.63 H new ATOM 0 HD3 ARG A 80 4.291 0.008 -4.850 1.00 9.63 H new ATOM 0 HE ARG A 80 4.628 -1.707 -7.179 1.00 10.25 H new ATOM 0 HH11 ARG A 80 5.618 -1.173 -3.819 1.00 11.11 H new ATOM 0 HH12 ARG A 80 6.069 -2.862 -3.569 1.00 11.11 H new ATOM 0 HH21 ARG A 80 5.220 -3.864 -6.840 1.00 11.64 H new ATOM 0 HH22 ARG A 80 5.844 -4.376 -5.269 1.00 11.64 H new ATOM 1211 N THR A 81 4.411 2.100 -3.108 1.00 7.24 N ATOM 1212 CA THR A 81 5.338 2.399 -2.042 1.00 6.59 C ATOM 1213 C THR A 81 6.250 1.212 -1.804 1.00 6.82 C ATOM 1214 O THR A 81 5.903 0.072 -2.129 1.00 7.73 O ATOM 1215 CB THR A 81 4.598 2.742 -0.728 1.00 6.98 C ATOM 1216 OG1 THR A 81 3.724 1.665 -0.358 1.00 8.00 O ATOM 1217 CG2 THR A 81 3.793 4.022 -0.875 1.00 7.05 C ATOM 0 H THR A 81 3.923 1.210 -3.001 1.00 7.24 H new ATOM 0 HA THR A 81 5.924 3.267 -2.345 1.00 6.59 H new ATOM 0 HB THR A 81 5.345 2.889 0.052 1.00 6.98 H new ATOM 0 HG1 THR A 81 3.261 1.891 0.476 1.00 8.00 H new ATOM 0 HG21 THR A 81 3.282 4.240 0.063 1.00 7.05 H new ATOM 0 HG22 THR A 81 4.462 4.846 -1.125 1.00 7.05 H new ATOM 0 HG23 THR A 81 3.056 3.899 -1.669 1.00 7.05 H new ATOM 1225 N ALA A 82 7.417 1.488 -1.271 1.00 6.18 N ATOM 1226 CA ALA A 82 8.340 0.450 -0.881 1.00 6.65 C ATOM 1227 C ALA A 82 8.660 0.595 0.588 1.00 6.65 C ATOM 1228 O ALA A 82 8.891 1.701 1.076 1.00 5.88 O ATOM 1229 CB ALA A 82 9.610 0.512 -1.710 1.00 6.36 C ATOM 0 H ALA A 82 7.752 2.435 -1.096 1.00 6.18 H new ATOM 0 HA ALA A 82 7.877 -0.521 -1.058 1.00 6.65 H new ATOM 0 HB1 ALA A 82 10.289 -0.281 -1.396 1.00 6.36 H new ATOM 0 HB2 ALA A 82 9.363 0.382 -2.764 1.00 6.36 H new ATOM 0 HB3 ALA A 82 10.091 1.479 -1.566 1.00 6.36 H new ATOM 1235 N GLU A 83 8.631 -0.512 1.296 1.00 7.70 N ATOM 1236 CA GLU A 83 8.956 -0.519 2.697 1.00 8.10 C ATOM 1237 C GLU A 83 10.467 -0.605 2.863 1.00 7.90 C ATOM 1238 O GLU A 83 11.134 -1.351 2.147 1.00 8.21 O ATOM 1239 CB GLU A 83 8.256 -1.689 3.386 1.00 9.47 C ATOM 1240 CG GLU A 83 8.421 -1.717 4.891 1.00 10.14 C ATOM 1241 CD GLU A 83 7.845 -2.973 5.508 1.00 11.52 C ATOM 1242 OE1 GLU A 83 6.621 -3.013 5.744 1.00 12.06 O1- ATOM 1243 OE2 GLU A 83 8.609 -3.927 5.761 1.00 12.15 O ATOM 0 H GLU A 83 8.383 -1.425 0.916 1.00 7.70 H new ATOM 0 HA GLU A 83 8.609 0.403 3.164 1.00 8.10 H new ATOM 0 HB2 GLU A 83 7.193 -1.651 3.150 1.00 9.47 H new ATOM 0 HB3 GLU A 83 8.641 -2.621 2.973 1.00 9.47 H new ATOM 0 HG2 GLU A 83 9.480 -1.645 5.140 1.00 10.14 H new ATOM 0 HG3 GLU A 83 7.932 -0.845 5.324 1.00 10.14 H new ATOM 1250 N VAL A 84 10.993 0.183 3.781 1.00 7.58 N ATOM 1251 CA VAL A 84 12.422 0.232 4.047 1.00 7.50 C ATOM 1252 C VAL A 84 12.960 -1.113 4.493 1.00 8.74 C ATOM 1253 O VAL A 84 12.425 -1.751 5.404 1.00 9.71 O ATOM 1254 CB VAL A 84 12.740 1.313 5.096 1.00 7.28 C ATOM 1255 CG1 VAL A 84 14.191 1.257 5.541 1.00 7.49 C ATOM 1256 CG2 VAL A 84 12.418 2.682 4.533 1.00 6.28 C ATOM 0 H VAL A 84 10.441 0.810 4.366 1.00 7.58 H new ATOM 0 HA VAL A 84 12.919 0.490 3.112 1.00 7.50 H new ATOM 0 HB VAL A 84 12.121 1.123 5.973 1.00 7.28 H new ATOM 0 HG11 VAL A 84 14.375 2.036 6.281 1.00 7.49 H new ATOM 0 HG12 VAL A 84 14.399 0.282 5.981 1.00 7.49 H new ATOM 0 HG13 VAL A 84 14.842 1.413 4.681 1.00 7.49 H new ATOM 0 HG21 VAL A 84 12.644 3.444 5.278 1.00 6.28 H new ATOM 0 HG22 VAL A 84 13.018 2.858 3.640 1.00 6.28 H new ATOM 0 HG23 VAL A 84 11.360 2.730 4.275 1.00 6.28 H new ATOM 1266 N LYS A 85 14.023 -1.531 3.825 1.00 8.82 N ATOM 1267 CA LYS A 85 14.651 -2.812 4.088 1.00 10.03 C ATOM 1268 C LYS A 85 16.135 -2.619 4.279 1.00 10.02 C ATOM 1269 O LYS A 85 16.713 -1.689 3.738 1.00 9.25 O ATOM 1270 CB LYS A 85 14.440 -3.771 2.915 1.00 10.75 C ATOM 1271 CG LYS A 85 12.996 -3.909 2.489 1.00 10.58 C ATOM 1272 CD LYS A 85 12.133 -4.418 3.624 1.00 11.03 C ATOM 1273 CE LYS A 85 10.672 -4.142 3.348 1.00 10.50 C ATOM 1274 NZ LYS A 85 10.195 -4.789 2.094 1.00 11.02 N1+ ATOM 0 H LYS A 85 14.473 -0.991 3.086 1.00 8.82 H new ATOM 0 HA LYS A 85 14.199 -3.232 4.987 1.00 10.03 H new ATOM 0 HB2 LYS A 85 15.028 -3.425 2.065 1.00 10.75 H new ATOM 0 HB3 LYS A 85 14.823 -4.754 3.188 1.00 10.75 H new ATOM 0 HG2 LYS A 85 12.621 -2.944 2.149 1.00 10.58 H new ATOM 0 HG3 LYS A 85 12.928 -4.593 1.643 1.00 10.58 H new ATOM 0 HD2 LYS A 85 12.288 -5.489 3.754 1.00 11.03 H new ATOM 0 HD3 LYS A 85 12.429 -3.938 4.557 1.00 11.03 H new ATOM 0 HE2 LYS A 85 10.074 -4.498 4.187 1.00 10.50 H new ATOM 0 HE3 LYS A 85 10.516 -3.065 3.279 1.00 10.50 H new ATOM 0 HZ1 LYS A 85 9.165 -4.669 2.012 1.00 11.02 H new ATOM 0 HZ2 LYS A 85 10.661 -4.347 1.276 1.00 11.02 H new ATOM 0 HZ3 LYS A 85 10.425 -5.803 2.117 1.00 11.02 H new ATOM 1288 N LEU A 86 16.739 -3.476 5.060 1.00 10.96 N ATOM 1289 CA LEU A 86 18.190 -3.527 5.125 1.00 11.21 C ATOM 1290 C LEU A 86 18.731 -4.409 4.004 1.00 11.85 C ATOM 1291 O LEU A 86 17.996 -5.212 3.427 1.00 12.43 O ATOM 1292 CB LEU A 86 18.695 -4.029 6.480 1.00 12.08 C ATOM 1293 CG LEU A 86 18.469 -3.080 7.657 1.00 11.90 C ATOM 1294 CD1 LEU A 86 17.035 -3.165 8.155 1.00 11.97 C ATOM 1295 CD2 LEU A 86 19.447 -3.384 8.777 1.00 12.76 C ATOM 0 H LEU A 86 16.259 -4.147 5.659 1.00 10.96 H new ATOM 0 HA LEU A 86 18.557 -2.508 5.001 1.00 11.21 H new ATOM 0 HB2 LEU A 86 18.207 -4.978 6.702 1.00 12.08 H new ATOM 0 HB3 LEU A 86 19.763 -4.231 6.398 1.00 12.08 H new ATOM 0 HG LEU A 86 18.644 -2.061 7.313 1.00 11.90 H new ATOM 0 HD11 LEU A 86 16.900 -2.481 8.992 1.00 11.97 H new ATOM 0 HD12 LEU A 86 16.353 -2.892 7.349 1.00 11.97 H new ATOM 0 HD13 LEU A 86 16.823 -4.183 8.481 1.00 11.97 H new ATOM 0 HD21 LEU A 86 19.273 -2.700 9.608 1.00 12.76 H new ATOM 0 HD22 LEU A 86 19.304 -4.410 9.116 1.00 12.76 H new ATOM 0 HD23 LEU A 86 20.467 -3.261 8.413 1.00 12.76 H new ATOM 1307 N GLY A 87 20.017 -4.266 3.712 1.00 11.89 N ATOM 1308 CA GLY A 87 20.633 -5.062 2.663 1.00 12.65 C ATOM 1309 C GLY A 87 21.997 -4.552 2.265 1.00 12.97 C ATOM 1310 O GLY A 87 22.304 -4.431 1.081 1.00 13.25 O ATOM 0 H GLY A 87 20.646 -3.614 4.181 1.00 11.89 H new ATOM 0 HA2 GLY A 87 20.721 -6.095 3.001 1.00 12.65 H new ATOM 0 HA3 GLY A 87 19.983 -5.067 1.788 1.00 12.65 H new ATOM 1389 N GLU A 93 25.282 -1.584 8.370 1.00 12.87 N ATOM 1390 CA GLU A 93 23.858 -1.828 8.184 1.00 12.37 C ATOM 1391 C GLU A 93 23.203 -0.616 7.549 1.00 11.13 C ATOM 1392 O GLU A 93 23.151 0.458 8.144 1.00 10.78 O ATOM 1393 CB GLU A 93 23.176 -2.221 9.487 1.00 13.03 C ATOM 1394 CG GLU A 93 22.958 -3.721 9.592 1.00 13.80 C ATOM 1395 CD GLU A 93 22.646 -4.180 10.997 1.00 14.57 C ATOM 1396 OE1 GLU A 93 21.470 -4.113 11.406 1.00 14.92 O1- ATOM 1397 OE2 GLU A 93 23.579 -4.617 11.701 1.00 14.94 O ATOM 0 HA GLU A 93 23.741 -2.675 7.508 1.00 12.37 H new ATOM 0 HB2 GLU A 93 23.782 -1.884 10.328 1.00 13.03 H new ATOM 0 HB3 GLU A 93 22.216 -1.710 9.561 1.00 13.03 H new ATOM 0 HG2 GLU A 93 22.140 -4.010 8.932 1.00 13.80 H new ATOM 0 HG3 GLU A 93 23.850 -4.237 9.238 1.00 13.80 H new ATOM 1404 N ARG A 94 22.731 -0.792 6.325 1.00 10.57 N ATOM 1405 CA ARG A 94 22.161 0.303 5.563 1.00 9.39 C ATOM 1406 C ARG A 94 20.733 -0.025 5.152 1.00 8.96 C ATOM 1407 O ARG A 94 20.352 -1.196 5.117 1.00 9.64 O ATOM 1408 CB ARG A 94 23.003 0.592 4.313 1.00 9.13 C ATOM 1409 CG ARG A 94 23.245 2.070 4.057 1.00 9.07 C ATOM 1410 CD ARG A 94 24.427 2.586 4.860 1.00 9.14 C ATOM 1411 NE ARG A 94 25.705 2.116 4.323 1.00 9.49 N ATOM 1412 CZ ARG A 94 26.882 2.660 4.629 1.00 9.84 C ATOM 1413 NH1 ARG A 94 26.953 3.634 5.527 1.00 9.96 N1+ ATOM 1414 NH2 ARG A 94 27.989 2.222 4.048 1.00 10.27 N ATOM 0 H ARG A 94 22.733 -1.688 5.838 1.00 10.57 H new ATOM 0 HA ARG A 94 22.157 1.190 6.197 1.00 9.39 H new ATOM 0 HB2 ARG A 94 23.965 0.089 4.412 1.00 9.13 H new ATOM 0 HB3 ARG A 94 22.505 0.160 3.445 1.00 9.13 H new ATOM 0 HG2 ARG A 94 23.427 2.232 2.994 1.00 9.07 H new ATOM 0 HG3 ARG A 94 22.351 2.637 4.317 1.00 9.07 H new ATOM 0 HD2 ARG A 94 24.414 3.676 4.863 1.00 9.14 H new ATOM 0 HD3 ARG A 94 24.329 2.263 5.896 1.00 9.14 H new ATOM 0 HE ARG A 94 25.694 1.326 3.677 1.00 9.49 H new ATOM 0 HH11 ARG A 94 26.105 3.968 5.985 1.00 9.96 H new ATOM 0 HH12 ARG A 94 27.855 4.049 5.759 1.00 9.96 H new ATOM 0 HH21 ARG A 94 27.942 1.466 3.364 1.00 10.27 H new ATOM 0 HH22 ARG A 94 28.889 2.640 4.284 1.00 10.27 H new ATOM 1428 N LEU A 95 19.960 0.995 4.824 1.00 7.97 N ATOM 1429 CA LEU A 95 18.590 0.807 4.364 1.00 7.54 C ATOM 1430 C LEU A 95 18.543 0.925 2.846 1.00 6.99 C ATOM 1431 O LEU A 95 18.992 1.909 2.274 1.00 6.27 O ATOM 1432 CB LEU A 95 17.670 1.860 4.998 1.00 6.93 C ATOM 1433 CG LEU A 95 17.538 1.821 6.529 1.00 7.79 C ATOM 1434 CD1 LEU A 95 17.372 0.393 7.024 1.00 8.88 C ATOM 1435 CD2 LEU A 95 18.726 2.491 7.205 1.00 7.89 C ATOM 0 H LEU A 95 20.258 1.970 4.867 1.00 7.97 H new ATOM 0 HA LEU A 95 18.246 -0.184 4.661 1.00 7.54 H new ATOM 0 HB2 LEU A 95 18.033 2.847 4.712 1.00 6.93 H new ATOM 0 HB3 LEU A 95 16.675 1.748 4.567 1.00 6.93 H new ATOM 0 HG LEU A 95 16.642 2.381 6.797 1.00 7.79 H new ATOM 0 HD11 LEU A 95 17.281 0.393 8.110 1.00 8.88 H new ATOM 0 HD12 LEU A 95 16.475 -0.042 6.584 1.00 8.88 H new ATOM 0 HD13 LEU A 95 18.241 -0.196 6.733 1.00 8.88 H new ATOM 0 HD21 LEU A 95 18.602 2.446 8.287 1.00 7.89 H new ATOM 0 HD22 LEU A 95 19.644 1.974 6.924 1.00 7.89 H new ATOM 0 HD23 LEU A 95 18.784 3.533 6.889 1.00 7.89 H new ATOM 1447 N LEU A 96 18.030 -0.101 2.198 1.00 7.59 N ATOM 1448 CA LEU A 96 17.963 -0.131 0.749 1.00 7.52 C ATOM 1449 C LEU A 96 16.572 0.246 0.276 1.00 6.76 C ATOM 1450 O LEU A 96 15.577 -0.309 0.746 1.00 6.96 O ATOM 1451 CB LEU A 96 18.348 -1.517 0.215 1.00 8.83 C ATOM 1452 CG LEU A 96 19.851 -1.774 0.056 1.00 9.65 C ATOM 1453 CD1 LEU A 96 20.445 -0.808 -0.958 1.00 9.37 C ATOM 1454 CD2 LEU A 96 20.573 -1.663 1.396 1.00 9.78 C ATOM 0 H LEU A 96 17.651 -0.931 2.654 1.00 7.59 H new ATOM 0 HA LEU A 96 18.675 0.597 0.360 1.00 7.52 H new ATOM 0 HB2 LEU A 96 17.938 -2.272 0.886 1.00 8.83 H new ATOM 0 HB3 LEU A 96 17.869 -1.659 -0.754 1.00 8.83 H new ATOM 0 HG LEU A 96 19.987 -2.792 -0.310 1.00 9.65 H new ATOM 0 HD11 LEU A 96 21.513 -1.001 -1.062 1.00 9.37 H new ATOM 0 HD12 LEU A 96 19.956 -0.946 -1.922 1.00 9.37 H new ATOM 0 HD13 LEU A 96 20.293 0.216 -0.617 1.00 9.37 H new ATOM 0 HD21 LEU A 96 21.637 -1.850 1.253 1.00 9.78 H new ATOM 0 HD22 LEU A 96 20.432 -0.662 1.803 1.00 9.78 H new ATOM 0 HD23 LEU A 96 20.166 -2.398 2.091 1.00 9.78 H new ATOM 1466 N VAL A 97 16.526 1.175 -0.666 1.00 6.13 N ATOM 1467 CA VAL A 97 15.274 1.715 -1.178 1.00 5.45 C ATOM 1468 C VAL A 97 15.409 2.003 -2.664 1.00 5.86 C ATOM 1469 O VAL A 97 16.516 2.198 -3.161 1.00 6.40 O ATOM 1470 CB VAL A 97 14.894 3.033 -0.463 1.00 4.23 C ATOM 1471 CG1 VAL A 97 14.568 2.795 1.004 1.00 4.19 C ATOM 1472 CG2 VAL A 97 16.016 4.048 -0.611 1.00 4.01 C ATOM 0 H VAL A 97 17.357 1.577 -1.099 1.00 6.13 H new ATOM 0 HA VAL A 97 14.497 0.973 -0.996 1.00 5.45 H new ATOM 0 HB VAL A 97 13.996 3.431 -0.935 1.00 4.23 H new ATOM 0 HG11 VAL A 97 14.305 3.741 1.477 1.00 4.19 H new ATOM 0 HG12 VAL A 97 13.728 2.105 1.083 1.00 4.19 H new ATOM 0 HG13 VAL A 97 15.437 2.368 1.505 1.00 4.19 H new ATOM 0 HG21 VAL A 97 15.739 4.973 -0.104 1.00 4.01 H new ATOM 0 HG22 VAL A 97 16.928 3.650 -0.166 1.00 4.01 H new ATOM 0 HG23 VAL A 97 16.186 4.251 -1.668 1.00 4.01 H new ATOM 1482 N PRO A 98 14.295 2.012 -3.404 1.00 5.92 N ATOM 1483 CA PRO A 98 14.296 2.437 -4.800 1.00 6.55 C ATOM 1484 C PRO A 98 14.817 3.866 -4.940 1.00 6.22 C ATOM 1485 O PRO A 98 14.330 4.773 -4.263 1.00 5.29 O ATOM 1486 CB PRO A 98 12.821 2.343 -5.210 1.00 6.53 C ATOM 1487 CG PRO A 98 12.226 1.372 -4.251 1.00 6.39 C ATOM 1488 CD PRO A 98 12.955 1.593 -2.956 1.00 5.71 C ATOM 0 HA PRO A 98 14.947 1.826 -5.426 1.00 6.55 H new ATOM 0 HB2 PRO A 98 12.329 3.314 -5.147 1.00 6.53 H new ATOM 0 HB3 PRO A 98 12.717 1.999 -6.239 1.00 6.53 H new ATOM 0 HG2 PRO A 98 11.156 1.542 -4.133 1.00 6.39 H new ATOM 0 HG3 PRO A 98 12.350 0.347 -4.602 1.00 6.39 H new ATOM 0 HD2 PRO A 98 12.474 2.358 -2.347 1.00 5.71 H new ATOM 0 HD3 PRO A 98 12.995 0.685 -2.354 1.00 5.71 H new ATOM 1496 N SER A 99 15.801 4.055 -5.808 1.00 7.21 N ATOM 1497 CA SER A 99 16.474 5.344 -5.966 1.00 7.37 C ATOM 1498 C SER A 99 15.487 6.483 -6.246 1.00 7.21 C ATOM 1499 O SER A 99 15.704 7.627 -5.841 1.00 7.21 O ATOM 1500 CB SER A 99 17.499 5.235 -7.096 1.00 8.73 C ATOM 1501 OG SER A 99 16.940 4.578 -8.220 1.00 9.29 O ATOM 0 H SER A 99 16.157 3.323 -6.423 1.00 7.21 H new ATOM 0 HA SER A 99 16.974 5.586 -5.028 1.00 7.37 H new ATOM 0 HB2 SER A 99 17.839 6.230 -7.382 1.00 8.73 H new ATOM 0 HB3 SER A 99 18.375 4.688 -6.747 1.00 8.73 H new ATOM 0 HG SER A 99 17.149 3.621 -8.177 1.00 9.29 H new ATOM 1507 N GLU A 100 14.395 6.147 -6.931 1.00 7.31 N ATOM 1508 CA GLU A 100 13.383 7.122 -7.334 1.00 7.41 C ATOM 1509 C GLU A 100 12.653 7.732 -6.138 1.00 6.33 C ATOM 1510 O GLU A 100 11.994 8.770 -6.260 1.00 6.56 O ATOM 1511 CB GLU A 100 12.372 6.460 -8.266 1.00 8.22 C ATOM 1512 CG GLU A 100 12.936 6.133 -9.638 1.00 9.47 C ATOM 1513 CD GLU A 100 11.873 5.645 -10.598 1.00 10.34 C ATOM 1514 OE1 GLU A 100 10.812 6.293 -10.698 1.00 10.86 O ATOM 1515 OE2 GLU A 100 12.096 4.604 -11.254 1.00 10.65 O1- ATOM 0 H GLU A 100 14.187 5.192 -7.222 1.00 7.31 H new ATOM 0 HA GLU A 100 13.900 7.931 -7.850 1.00 7.41 H new ATOM 0 HB2 GLU A 100 12.009 5.542 -7.803 1.00 8.22 H new ATOM 0 HB3 GLU A 100 11.512 7.119 -8.383 1.00 8.22 H new ATOM 0 HG2 GLU A 100 13.415 7.020 -10.052 1.00 9.47 H new ATOM 0 HG3 GLU A 100 13.709 5.371 -9.538 1.00 9.47 H new ATOM 1522 N ALA A 101 12.758 7.073 -4.991 1.00 5.34 N ATOM 1523 CA ALA A 101 12.045 7.490 -3.791 1.00 4.45 C ATOM 1524 C ALA A 101 12.804 8.576 -3.047 1.00 4.45 C ATOM 1525 O ALA A 101 12.307 9.130 -2.066 1.00 4.62 O ATOM 1526 CB ALA A 101 11.805 6.295 -2.884 1.00 3.75 C ATOM 0 H ALA A 101 13.335 6.241 -4.867 1.00 5.34 H new ATOM 0 HA ALA A 101 11.084 7.904 -4.095 1.00 4.45 H new ATOM 0 HB1 ALA A 101 11.271 6.618 -1.990 1.00 3.75 H new ATOM 0 HB2 ALA A 101 11.210 5.551 -3.413 1.00 3.75 H new ATOM 0 HB3 ALA A 101 12.761 5.858 -2.597 1.00 3.75 H new ATOM 1532 N LEU A 102 14.019 8.854 -3.500 1.00 4.73 N ATOM 1533 CA LEU A 102 14.845 9.882 -2.905 1.00 5.07 C ATOM 1534 C LEU A 102 14.559 11.250 -3.487 1.00 6.33 C ATOM 1535 O LEU A 102 14.726 11.494 -4.683 1.00 6.97 O ATOM 1536 CB LEU A 102 16.300 9.531 -3.132 1.00 4.90 C ATOM 1537 CG LEU A 102 16.742 8.248 -2.453 1.00 5.36 C ATOM 1538 CD1 LEU A 102 18.248 8.140 -2.501 1.00 6.64 C ATOM 1539 CD2 LEU A 102 16.230 8.200 -1.023 1.00 4.98 C ATOM 0 H LEU A 102 14.453 8.372 -4.287 1.00 4.73 H new ATOM 0 HA LEU A 102 14.618 9.926 -1.840 1.00 5.07 H new ATOM 0 HB2 LEU A 102 16.478 9.442 -4.204 1.00 4.90 H new ATOM 0 HB3 LEU A 102 16.921 10.352 -2.773 1.00 4.90 H new ATOM 0 HG LEU A 102 16.318 7.395 -2.983 1.00 5.36 H new ATOM 0 HD11 LEU A 102 18.562 7.218 -2.013 1.00 6.64 H new ATOM 0 HD12 LEU A 102 18.579 8.132 -3.539 1.00 6.64 H new ATOM 0 HD13 LEU A 102 18.691 8.992 -1.986 1.00 6.64 H new ATOM 0 HD21 LEU A 102 16.556 7.273 -0.551 1.00 4.98 H new ATOM 0 HD22 LEU A 102 16.625 9.050 -0.466 1.00 4.98 H new ATOM 0 HD23 LEU A 102 15.141 8.243 -1.025 1.00 4.98 H new ATOM 1551 N ILE A 103 14.115 12.130 -2.615 1.00 6.87 N ATOM 1552 CA ILE A 103 13.915 13.527 -2.953 1.00 8.18 C ATOM 1553 C ILE A 103 15.201 14.285 -2.682 1.00 8.75 C ATOM 1554 O ILE A 103 15.606 14.426 -1.528 1.00 8.67 O ATOM 1555 CB ILE A 103 12.778 14.176 -2.121 1.00 8.80 C ATOM 1556 CG1 ILE A 103 11.386 13.766 -2.624 1.00 8.52 C ATOM 1557 CG2 ILE A 103 12.913 15.696 -2.123 1.00 10.20 C ATOM 1558 CD1 ILE A 103 11.091 12.285 -2.521 1.00 8.14 C ATOM 0 H ILE A 103 13.882 11.898 -1.649 1.00 6.87 H new ATOM 0 HA ILE A 103 13.635 13.577 -4.005 1.00 8.18 H new ATOM 0 HB ILE A 103 12.878 13.809 -1.100 1.00 8.80 H new ATOM 0 HG12 ILE A 103 10.633 14.314 -2.057 1.00 8.52 H new ATOM 0 HG13 ILE A 103 11.286 14.072 -3.665 1.00 8.52 H new ATOM 0 HG21 ILE A 103 12.107 16.134 -1.534 1.00 10.20 H new ATOM 0 HG22 ILE A 103 13.873 15.977 -1.689 1.00 10.20 H new ATOM 0 HG23 ILE A 103 12.856 16.065 -3.147 1.00 10.20 H new ATOM 0 HD11 ILE A 103 10.088 12.087 -2.898 1.00 8.14 H new ATOM 0 HD12 ILE A 103 11.818 11.727 -3.112 1.00 8.14 H new ATOM 0 HD13 ILE A 103 11.155 11.973 -1.479 1.00 8.14 H new ATOM 1570 N ARG A 104 15.853 14.744 -3.727 1.00 9.50 N ATOM 1571 CA ARG A 104 17.054 15.534 -3.551 1.00 10.25 C ATOM 1572 C ARG A 104 16.705 17.001 -3.396 1.00 11.48 C ATOM 1573 O ARG A 104 16.010 17.577 -4.234 1.00 12.12 O ATOM 1574 CB ARG A 104 18.041 15.337 -4.700 1.00 10.50 C ATOM 1575 CG ARG A 104 18.731 13.987 -4.680 1.00 9.82 C ATOM 1576 CD ARG A 104 19.661 13.860 -3.487 1.00 9.98 C ATOM 1577 NE ARG A 104 20.458 12.634 -3.544 1.00 10.43 N ATOM 1578 CZ ARG A 104 21.596 12.453 -2.872 1.00 10.83 C ATOM 1579 NH1 ARG A 104 22.066 13.414 -2.086 1.00 10.83 N1+ ATOM 1580 NH2 ARG A 104 22.262 11.309 -2.989 1.00 11.42 N ATOM 0 H ARG A 104 15.578 14.587 -4.697 1.00 9.50 H new ATOM 0 HA ARG A 104 17.542 15.188 -2.640 1.00 10.25 H new ATOM 0 HB2 ARG A 104 17.512 15.452 -5.646 1.00 10.50 H new ATOM 0 HB3 ARG A 104 18.796 16.122 -4.659 1.00 10.50 H new ATOM 0 HG2 ARG A 104 17.983 13.195 -4.647 1.00 9.82 H new ATOM 0 HG3 ARG A 104 19.298 13.852 -5.601 1.00 9.82 H new ATOM 0 HD2 ARG A 104 20.325 14.723 -3.451 1.00 9.98 H new ATOM 0 HD3 ARG A 104 19.075 13.870 -2.568 1.00 9.98 H new ATOM 0 HE ARG A 104 20.123 11.872 -4.133 1.00 10.43 H new ATOM 0 HH11 ARG A 104 21.557 14.293 -1.995 1.00 10.83 H new ATOM 0 HH12 ARG A 104 22.936 13.273 -1.573 1.00 10.83 H new ATOM 0 HH21 ARG A 104 21.903 10.569 -3.593 1.00 11.42 H new ATOM 0 HH22 ARG A 104 23.132 11.171 -2.475 1.00 11.42 H new ATOM 1594 N THR A 105 17.175 17.595 -2.318 1.00 11.91 N ATOM 1595 CA THR A 105 16.970 19.008 -2.086 1.00 13.15 C ATOM 1596 C THR A 105 18.149 19.582 -1.305 1.00 13.72 C ATOM 1597 O THR A 105 18.700 18.916 -0.427 1.00 13.20 O ATOM 1598 CB THR A 105 15.641 19.273 -1.336 1.00 13.31 C ATOM 1599 OG1 THR A 105 15.466 20.677 -1.102 1.00 14.61 O ATOM 1600 CG2 THR A 105 15.598 18.528 -0.011 1.00 12.61 C ATOM 0 H THR A 105 17.703 17.118 -1.587 1.00 11.91 H new ATOM 0 HA THR A 105 16.905 19.506 -3.054 1.00 13.15 H new ATOM 0 HB THR A 105 14.830 18.909 -1.967 1.00 13.31 H new ATOM 0 HG1 THR A 105 14.621 20.827 -0.629 1.00 14.61 H new ATOM 0 HG21 THR A 105 14.653 18.734 0.492 1.00 12.61 H new ATOM 0 HG22 THR A 105 15.686 17.457 -0.193 1.00 12.61 H new ATOM 0 HG23 THR A 105 16.424 18.858 0.619 1.00 12.61 H new ATOM 1608 N GLY A 106 18.554 20.800 -1.651 1.00 14.84 N ATOM 1609 CA GLY A 106 19.664 21.447 -0.972 1.00 15.52 C ATOM 1610 C GLY A 106 20.898 20.566 -0.917 1.00 14.91 C ATOM 1611 O GLY A 106 21.459 20.203 -1.954 1.00 14.86 O ATOM 0 H GLY A 106 18.130 21.354 -2.395 1.00 14.84 H new ATOM 0 HA2 GLY A 106 19.907 22.378 -1.484 1.00 15.52 H new ATOM 0 HA3 GLY A 106 19.363 21.710 0.042 1.00 15.52 H new ATOM 1615 N ALA A 107 21.326 20.219 0.287 1.00 14.57 N ATOM 1616 CA ALA A 107 22.446 19.312 0.461 1.00 14.09 C ATOM 1617 C ALA A 107 22.041 18.078 1.251 1.00 12.88 C ATOM 1618 O ALA A 107 22.811 17.558 2.061 1.00 12.64 O ATOM 1619 CB ALA A 107 23.615 20.024 1.121 1.00 14.99 C ATOM 0 H ALA A 107 20.913 20.553 1.158 1.00 14.57 H new ATOM 0 HA ALA A 107 22.764 18.979 -0.527 1.00 14.09 H new ATOM 0 HB1 ALA A 107 24.444 19.327 1.242 1.00 14.99 H new ATOM 0 HB2 ALA A 107 23.932 20.859 0.496 1.00 14.99 H new ATOM 0 HB3 ALA A 107 23.309 20.397 2.098 1.00 14.99 H new ATOM 1625 N ARG A 108 20.831 17.611 1.013 1.00 12.19 N ATOM 1626 CA ARG A 108 20.298 16.475 1.741 1.00 11.09 C ATOM 1627 C ARG A 108 19.348 15.664 0.871 1.00 10.26 C ATOM 1628 O ARG A 108 19.037 16.052 -0.257 1.00 10.63 O ATOM 1629 CB ARG A 108 19.577 16.962 2.981 1.00 11.48 C ATOM 1630 CG ARG A 108 18.625 18.094 2.691 1.00 12.49 C ATOM 1631 CD ARG A 108 17.873 18.477 3.945 1.00 12.62 C ATOM 1632 NE ARG A 108 16.792 19.429 3.679 1.00 13.67 N ATOM 1633 CZ ARG A 108 15.770 19.657 4.509 1.00 14.22 C ATOM 1634 NH1 ARG A 108 15.721 19.081 5.703 1.00 13.92 N1+ ATOM 1635 NH2 ARG A 108 14.801 20.491 4.152 1.00 15.20 N ATOM 0 H ARG A 108 20.195 18.003 0.318 1.00 12.19 H new ATOM 0 HA ARG A 108 21.127 15.828 2.029 1.00 11.09 H new ATOM 0 HB2 ARG A 108 19.026 16.133 3.425 1.00 11.48 H new ATOM 0 HB3 ARG A 108 20.310 17.289 3.718 1.00 11.48 H new ATOM 0 HG2 ARG A 108 19.176 18.954 2.312 1.00 12.49 H new ATOM 0 HG3 ARG A 108 17.922 17.797 1.913 1.00 12.49 H new ATOM 0 HD2 ARG A 108 17.458 17.580 4.405 1.00 12.62 H new ATOM 0 HD3 ARG A 108 18.568 18.912 4.664 1.00 12.62 H new ATOM 0 HE ARG A 108 16.821 19.952 2.804 1.00 13.67 H new ATOM 0 HH11 ARG A 108 16.470 18.455 5.998 1.00 13.92 H new ATOM 0 HH12 ARG A 108 14.934 19.265 6.326 1.00 13.92 H new ATOM 0 HH21 ARG A 108 14.837 20.957 3.245 1.00 15.20 H new ATOM 0 HH22 ARG A 108 14.020 20.666 4.784 1.00 15.20 H new ATOM 1649 N THR A 109 18.888 14.544 1.397 1.00 9.26 N ATOM 1650 CA THR A 109 17.902 13.739 0.710 1.00 8.38 C ATOM 1651 C THR A 109 16.665 13.598 1.591 1.00 8.15 C ATOM 1652 O THR A 109 16.759 13.646 2.816 1.00 8.42 O ATOM 1653 CB THR A 109 18.468 12.350 0.344 1.00 7.38 C ATOM 1654 OG1 THR A 109 19.785 12.495 -0.202 1.00 7.95 O ATOM 1655 CG2 THR A 109 17.583 11.658 -0.675 1.00 6.64 C ATOM 0 H THR A 109 19.184 14.173 2.300 1.00 9.26 H new ATOM 0 HA THR A 109 17.631 14.236 -0.221 1.00 8.38 H new ATOM 0 HB THR A 109 18.503 11.745 1.250 1.00 7.38 H new ATOM 0 HG1 THR A 109 20.443 12.144 0.434 1.00 7.95 H new ATOM 0 HG21 THR A 109 18.002 10.681 -0.917 1.00 6.64 H new ATOM 0 HG22 THR A 109 16.582 11.531 -0.261 1.00 6.64 H new ATOM 0 HG23 THR A 109 17.528 12.264 -1.580 1.00 6.64 H new ATOM 1663 N ILE A 110 15.508 13.464 0.974 1.00 7.89 N ATOM 1664 CA ILE A 110 14.260 13.377 1.707 1.00 7.87 C ATOM 1665 C ILE A 110 13.480 12.157 1.245 1.00 6.75 C ATOM 1666 O ILE A 110 13.571 11.761 0.083 1.00 6.24 O ATOM 1667 CB ILE A 110 13.390 14.638 1.493 1.00 9.02 C ATOM 1668 CG1 ILE A 110 14.171 15.920 1.797 1.00 10.20 C ATOM 1669 CG2 ILE A 110 12.130 14.574 2.333 1.00 9.31 C ATOM 1670 CD1 ILE A 110 14.627 16.048 3.234 1.00 10.55 C ATOM 0 H ILE A 110 15.406 13.413 -0.040 1.00 7.89 H new ATOM 0 HA ILE A 110 14.500 13.296 2.767 1.00 7.87 H new ATOM 0 HB ILE A 110 13.105 14.662 0.441 1.00 9.02 H new ATOM 0 HG12 ILE A 110 15.044 15.962 1.146 1.00 10.20 H new ATOM 0 HG13 ILE A 110 13.547 16.779 1.549 1.00 10.20 H new ATOM 0 HG21 ILE A 110 11.535 15.472 2.165 1.00 9.31 H new ATOM 0 HG22 ILE A 110 11.549 13.696 2.051 1.00 9.31 H new ATOM 0 HG23 ILE A 110 12.399 14.509 3.387 1.00 9.31 H new ATOM 0 HD11 ILE A 110 15.172 16.984 3.361 1.00 10.55 H new ATOM 0 HD12 ILE A 110 13.759 16.041 3.893 1.00 10.55 H new ATOM 0 HD13 ILE A 110 15.280 15.212 3.485 1.00 10.55 H new ATOM 1682 N ALA A 111 12.724 11.565 2.149 1.00 6.58 N ATOM 1683 CA ALA A 111 11.893 10.429 1.814 1.00 5.74 C ATOM 1684 C ALA A 111 10.438 10.735 2.121 1.00 6.51 C ATOM 1685 O ALA A 111 10.108 11.152 3.227 1.00 7.39 O ATOM 1686 CB ALA A 111 12.343 9.195 2.580 1.00 5.00 C ATOM 0 H ALA A 111 12.669 11.855 3.125 1.00 6.58 H new ATOM 0 HA ALA A 111 11.993 10.230 0.747 1.00 5.74 H new ATOM 0 HB1 ALA A 111 11.707 8.350 2.316 1.00 5.00 H new ATOM 0 HB2 ALA A 111 13.377 8.965 2.324 1.00 5.00 H new ATOM 0 HB3 ALA A 111 12.268 9.384 3.651 1.00 5.00 H new ATOM 1692 N MET A 112 9.577 10.559 1.140 1.00 6.37 N ATOM 1693 CA MET A 112 8.151 10.719 1.360 1.00 7.19 C ATOM 1694 C MET A 112 7.585 9.440 1.959 1.00 6.90 C ATOM 1695 O MET A 112 7.324 8.464 1.250 1.00 6.29 O ATOM 1696 CB MET A 112 7.441 11.048 0.050 1.00 7.48 C ATOM 1697 CG MET A 112 7.567 12.502 -0.368 1.00 8.19 C ATOM 1698 SD MET A 112 6.783 12.831 -1.957 1.00 8.85 S ATOM 1699 CE MET A 112 5.151 12.146 -1.676 1.00 8.24 C ATOM 0 H MET A 112 9.836 10.306 0.186 1.00 6.37 H new ATOM 0 HA MET A 112 7.988 11.545 2.052 1.00 7.19 H new ATOM 0 HB2 MET A 112 7.846 10.416 -0.740 1.00 7.48 H new ATOM 0 HB3 MET A 112 6.385 10.798 0.148 1.00 7.48 H new ATOM 0 HG2 MET A 112 7.116 13.137 0.395 1.00 8.19 H new ATOM 0 HG3 MET A 112 8.622 12.771 -0.424 1.00 8.19 H new ATOM 0 HE1 MET A 112 4.497 12.412 -2.506 1.00 8.24 H new ATOM 0 HE2 MET A 112 5.220 11.061 -1.602 1.00 8.24 H new ATOM 0 HE3 MET A 112 4.743 12.548 -0.749 1.00 8.24 H new ATOM 1709 N VAL A 113 7.405 9.461 3.271 1.00 7.60 N ATOM 1710 CA VAL A 113 6.996 8.290 4.012 1.00 7.75 C ATOM 1711 C VAL A 113 5.488 8.102 3.959 1.00 8.59 C ATOM 1712 O VAL A 113 4.716 9.037 4.193 1.00 9.48 O ATOM 1713 CB VAL A 113 7.465 8.370 5.486 1.00 8.42 C ATOM 1714 CG1 VAL A 113 6.872 9.579 6.192 1.00 9.69 C ATOM 1715 CG2 VAL A 113 7.126 7.089 6.233 1.00 8.72 C ATOM 0 H VAL A 113 7.540 10.292 3.846 1.00 7.60 H new ATOM 0 HA VAL A 113 7.469 7.429 3.541 1.00 7.75 H new ATOM 0 HB VAL A 113 8.549 8.487 5.482 1.00 8.42 H new ATOM 0 HG11 VAL A 113 7.221 9.605 7.224 1.00 9.69 H new ATOM 0 HG12 VAL A 113 7.185 10.489 5.680 1.00 9.69 H new ATOM 0 HG13 VAL A 113 5.784 9.511 6.179 1.00 9.69 H new ATOM 0 HG21 VAL A 113 7.465 7.169 7.266 1.00 8.72 H new ATOM 0 HG22 VAL A 113 6.047 6.933 6.216 1.00 8.72 H new ATOM 0 HG23 VAL A 113 7.622 6.246 5.753 1.00 8.72 H new ATOM 1725 N ALA A 114 5.076 6.890 3.631 1.00 8.43 N ATOM 1726 CA ALA A 114 3.673 6.532 3.626 1.00 9.31 C ATOM 1727 C ALA A 114 3.268 6.053 5.010 1.00 10.44 C ATOM 1728 O ALA A 114 3.358 4.863 5.320 1.00 10.70 O ATOM 1729 CB ALA A 114 3.396 5.462 2.580 1.00 8.96 C ATOM 0 H ALA A 114 5.703 6.131 3.362 1.00 8.43 H new ATOM 0 HA ALA A 114 3.081 7.410 3.368 1.00 9.31 H new ATOM 0 HB1 ALA A 114 2.336 5.207 2.592 1.00 8.96 H new ATOM 0 HB2 ALA A 114 3.667 5.838 1.594 1.00 8.96 H new ATOM 0 HB3 ALA A 114 3.986 4.573 2.804 1.00 8.96 H new ATOM 1735 N LYS A 115 2.843 6.991 5.841 1.00 11.26 N ATOM 1736 CA LYS A 115 2.530 6.701 7.231 1.00 12.43 C ATOM 1737 C LYS A 115 1.222 5.948 7.364 1.00 13.26 C ATOM 1738 O LYS A 115 0.356 6.021 6.492 1.00 13.19 O ATOM 1739 CB LYS A 115 2.449 7.993 8.040 1.00 13.13 C ATOM 1740 CG LYS A 115 3.778 8.703 8.181 1.00 13.19 C ATOM 1741 CD LYS A 115 3.649 9.957 9.023 1.00 14.08 C ATOM 1742 CE LYS A 115 5.008 10.581 9.276 1.00 14.36 C ATOM 1743 NZ LYS A 115 4.907 11.904 9.936 1.00 14.88 N1+ ATOM 0 H LYS A 115 2.706 7.966 5.575 1.00 11.26 H new ATOM 0 HA LYS A 115 3.332 6.073 7.618 1.00 12.43 H new ATOM 0 HB2 LYS A 115 1.736 8.666 7.564 1.00 13.13 H new ATOM 0 HB3 LYS A 115 2.060 7.767 9.033 1.00 13.13 H new ATOM 0 HG2 LYS A 115 4.505 8.030 8.636 1.00 13.19 H new ATOM 0 HG3 LYS A 115 4.160 8.964 7.194 1.00 13.19 H new ATOM 0 HD2 LYS A 115 3.003 10.675 8.517 1.00 14.08 H new ATOM 0 HD3 LYS A 115 3.173 9.715 9.973 1.00 14.08 H new ATOM 0 HE2 LYS A 115 5.602 9.912 9.898 1.00 14.36 H new ATOM 0 HE3 LYS A 115 5.537 10.690 8.329 1.00 14.36 H new ATOM 0 HZ1 LYS A 115 5.860 12.298 10.072 1.00 14.88 H new ATOM 0 HZ2 LYS A 115 4.349 12.548 9.340 1.00 14.88 H new ATOM 0 HZ3 LYS A 115 4.441 11.796 10.860 1.00 14.88 H new ATOM 1757 N GLY A 116 1.077 5.253 8.483 1.00 14.15 N ATOM 1758 CA GLY A 116 -0.157 4.560 8.774 1.00 15.10 C ATOM 1759 C GLY A 116 -1.186 5.490 9.379 1.00 16.02 C ATOM 1760 O GLY A 116 -2.160 5.048 9.991 1.00 16.92 O ATOM 0 H GLY A 116 1.798 5.158 9.198 1.00 14.15 H new ATOM 0 HA2 GLY A 116 -0.554 4.122 7.858 1.00 15.10 H new ATOM 0 HA3 GLY A 116 0.040 3.737 9.461 1.00 15.10 H new ATOM 1764 N GLU A 117 -0.961 6.788 9.215 1.00 15.88 N ATOM 1765 CA GLU A 117 -1.881 7.790 9.719 1.00 16.82 C ATOM 1766 C GLU A 117 -2.711 8.366 8.581 1.00 16.56 C ATOM 1767 O GLU A 117 -3.453 9.332 8.755 1.00 17.25 O ATOM 1768 CB GLU A 117 -1.127 8.902 10.443 1.00 17.04 C ATOM 1769 CG GLU A 117 -0.209 8.373 11.523 1.00 17.42 C ATOM 1770 CD GLU A 117 0.268 9.450 12.472 1.00 17.95 C ATOM 1771 OE1 GLU A 117 1.201 10.197 12.113 1.00 17.82 O1- ATOM 1772 OE2 GLU A 117 -0.295 9.563 13.577 1.00 18.56 O ATOM 0 H GLU A 117 -0.145 7.168 8.735 1.00 15.88 H new ATOM 0 HA GLU A 117 -2.551 7.311 10.433 1.00 16.82 H new ATOM 0 HB2 GLU A 117 -0.542 9.470 9.720 1.00 17.04 H new ATOM 0 HB3 GLU A 117 -1.844 9.593 10.887 1.00 17.04 H new ATOM 0 HG2 GLU A 117 -0.730 7.602 12.090 1.00 17.42 H new ATOM 0 HG3 GLU A 117 0.655 7.898 11.058 1.00 17.42 H new ATOM 1779 N GLY A 118 -2.582 7.742 7.415 1.00 15.62 N ATOM 1780 CA GLY A 118 -3.374 8.125 6.263 1.00 15.41 C ATOM 1781 C GLY A 118 -2.738 9.217 5.430 1.00 14.71 C ATOM 1782 O GLY A 118 -3.367 9.739 4.513 1.00 14.71 O ATOM 0 H GLY A 118 -1.936 6.970 7.248 1.00 15.62 H new ATOM 0 HA2 GLY A 118 -3.536 7.248 5.636 1.00 15.41 H new ATOM 0 HA3 GLY A 118 -4.354 8.461 6.601 1.00 15.41 H new ATOM 1786 N GLY A 119 -1.489 9.555 5.725 1.00 14.19 N ATOM 1787 CA GLY A 119 -0.853 10.654 5.039 1.00 13.68 C ATOM 1788 C GLY A 119 0.587 10.371 4.676 1.00 12.53 C ATOM 1789 O GLY A 119 1.170 9.374 5.117 1.00 12.20 O ATOM 0 H GLY A 119 -0.911 9.088 6.424 1.00 14.19 H new ATOM 0 HA2 GLY A 119 -1.413 10.881 4.132 1.00 13.68 H new ATOM 0 HA3 GLY A 119 -0.895 11.542 5.670 1.00 13.68 H new ATOM 1793 N PHE A 120 1.158 11.259 3.878 1.00 12.03 N ATOM 1794 CA PHE A 120 2.514 11.106 3.380 1.00 10.94 C ATOM 1795 C PHE A 120 3.358 12.297 3.805 1.00 11.32 C ATOM 1796 O PHE A 120 3.013 13.444 3.511 1.00 11.97 O ATOM 1797 CB PHE A 120 2.495 11.015 1.854 1.00 10.11 C ATOM 1798 CG PHE A 120 1.684 9.870 1.324 1.00 9.82 C ATOM 1799 CD1 PHE A 120 2.262 8.629 1.118 1.00 9.56 C ATOM 1800 CD2 PHE A 120 0.346 10.038 1.024 1.00 9.99 C ATOM 1801 CE1 PHE A 120 1.519 7.576 0.624 1.00 9.49 C ATOM 1802 CE2 PHE A 120 -0.403 8.989 0.529 1.00 9.89 C ATOM 1803 CZ PHE A 120 0.184 7.744 0.353 1.00 9.66 C ATOM 0 H PHE A 120 0.692 12.108 3.557 1.00 12.03 H new ATOM 0 HA PHE A 120 2.944 10.194 3.793 1.00 10.94 H new ATOM 0 HB2 PHE A 120 2.099 11.946 1.449 1.00 10.11 H new ATOM 0 HB3 PHE A 120 3.519 10.920 1.493 1.00 10.11 H new ATOM 0 HD1 PHE A 120 3.307 8.483 1.347 1.00 9.56 H new ATOM 0 HD2 PHE A 120 -0.119 11.000 1.178 1.00 9.99 H new ATOM 0 HE1 PHE A 120 1.988 6.619 0.451 1.00 9.49 H new ATOM 0 HE2 PHE A 120 -1.443 9.137 0.279 1.00 9.89 H new ATOM 0 HZ PHE A 120 -0.407 6.910 0.004 1.00 9.66 H new ATOM 1813 N ASP A 121 4.459 12.041 4.492 1.00 11.05 N ATOM 1814 CA ASP A 121 5.289 13.123 4.999 1.00 11.56 C ATOM 1815 C ASP A 121 6.716 13.005 4.502 1.00 10.58 C ATOM 1816 O ASP A 121 7.194 11.909 4.239 1.00 9.55 O ATOM 1817 CB ASP A 121 5.287 13.155 6.525 1.00 12.35 C ATOM 1818 CG ASP A 121 4.032 13.765 7.105 1.00 13.39 C ATOM 1819 OD1 ASP A 121 3.686 14.897 6.712 1.00 13.79 O ATOM 1820 OD2 ASP A 121 3.385 13.114 7.953 1.00 13.91 O1- ATOM 0 H ASP A 121 4.797 11.104 4.710 1.00 11.05 H new ATOM 0 HA ASP A 121 4.860 14.052 4.624 1.00 11.56 H new ATOM 0 HB2 ASP A 121 5.398 12.139 6.904 1.00 12.35 H new ATOM 0 HB3 ASP A 121 6.152 13.721 6.871 1.00 12.35 H new ATOM 1825 N PRO A 122 7.418 14.127 4.361 1.00 10.99 N ATOM 1826 CA PRO A 122 8.819 14.116 3.994 1.00 10.31 C ATOM 1827 C PRO A 122 9.735 13.965 5.207 1.00 10.40 C ATOM 1828 O PRO A 122 9.680 14.742 6.162 1.00 11.44 O ATOM 1829 CB PRO A 122 9.001 15.470 3.325 1.00 11.13 C ATOM 1830 CG PRO A 122 8.006 16.370 3.975 1.00 12.35 C ATOM 1831 CD PRO A 122 6.901 15.496 4.520 1.00 12.29 C ATOM 0 HA PRO A 122 9.080 13.274 3.353 1.00 10.31 H new ATOM 0 HB2 PRO A 122 10.016 15.843 3.462 1.00 11.13 H new ATOM 0 HB3 PRO A 122 8.828 15.404 2.251 1.00 11.13 H new ATOM 0 HG2 PRO A 122 8.472 16.944 4.776 1.00 12.35 H new ATOM 0 HG3 PRO A 122 7.610 17.088 3.257 1.00 12.35 H new ATOM 0 HD2 PRO A 122 6.690 15.724 5.565 1.00 12.29 H new ATOM 0 HD3 PRO A 122 5.971 15.638 3.969 1.00 12.29 H new ATOM 1839 N VAL A 123 10.553 12.934 5.170 1.00 9.36 N ATOM 1840 CA VAL A 123 11.513 12.675 6.228 1.00 9.43 C ATOM 1841 C VAL A 123 12.924 12.975 5.730 1.00 9.05 C ATOM 1842 O VAL A 123 13.293 12.584 4.623 1.00 8.18 O ATOM 1843 CB VAL A 123 11.422 11.207 6.732 1.00 8.79 C ATOM 1844 CG1 VAL A 123 11.901 10.225 5.693 1.00 7.90 C ATOM 1845 CG2 VAL A 123 12.175 11.031 8.043 1.00 9.39 C ATOM 0 H VAL A 123 10.573 12.253 4.410 1.00 9.36 H new ATOM 0 HA VAL A 123 11.278 13.329 7.068 1.00 9.43 H new ATOM 0 HB VAL A 123 10.369 10.993 6.916 1.00 8.79 H new ATOM 0 HG11 VAL A 123 11.821 9.211 6.086 1.00 7.90 H new ATOM 0 HG12 VAL A 123 11.288 10.316 4.796 1.00 7.90 H new ATOM 0 HG13 VAL A 123 12.941 10.436 5.445 1.00 7.90 H new ATOM 0 HG21 VAL A 123 12.095 9.995 8.372 1.00 9.39 H new ATOM 0 HG22 VAL A 123 13.225 11.285 7.897 1.00 9.39 H new ATOM 0 HG23 VAL A 123 11.745 11.687 8.800 1.00 9.39 H new ATOM 1855 N GLU A 124 13.695 13.704 6.523 1.00 9.85 N ATOM 1856 CA GLU A 124 15.068 14.004 6.160 1.00 9.72 C ATOM 1857 C GLU A 124 15.926 12.758 6.314 1.00 8.90 C ATOM 1858 O GLU A 124 16.026 12.195 7.405 1.00 9.21 O ATOM 1859 CB GLU A 124 15.622 15.133 7.029 1.00 10.96 C ATOM 1860 CG GLU A 124 17.048 15.519 6.672 1.00 11.07 C ATOM 1861 CD GLU A 124 17.607 16.602 7.569 1.00 12.34 C ATOM 1862 OE1 GLU A 124 17.337 17.789 7.308 1.00 12.83 O ATOM 1863 OE2 GLU A 124 18.321 16.273 8.535 1.00 12.93 O1- ATOM 0 H GLU A 124 13.394 14.095 7.416 1.00 9.85 H new ATOM 0 HA GLU A 124 15.090 14.329 5.120 1.00 9.72 H new ATOM 0 HB2 GLU A 124 14.980 16.008 6.929 1.00 10.96 H new ATOM 0 HB3 GLU A 124 15.586 14.829 8.075 1.00 10.96 H new ATOM 0 HG2 GLU A 124 17.685 14.637 6.736 1.00 11.07 H new ATOM 0 HG3 GLU A 124 17.079 15.860 5.637 1.00 11.07 H new ATOM 1870 N VAL A 125 16.530 12.323 5.221 1.00 8.03 N ATOM 1871 CA VAL A 125 17.346 11.120 5.232 1.00 7.30 C ATOM 1872 C VAL A 125 18.720 11.373 4.645 1.00 7.38 C ATOM 1873 O VAL A 125 18.938 12.335 3.908 1.00 7.84 O ATOM 1874 CB VAL A 125 16.683 9.958 4.455 1.00 6.19 C ATOM 1875 CG1 VAL A 125 15.408 9.515 5.140 1.00 6.15 C ATOM 1876 CG2 VAL A 125 16.402 10.349 3.012 1.00 5.62 C ATOM 0 H VAL A 125 16.471 12.785 4.314 1.00 8.03 H new ATOM 0 HA VAL A 125 17.443 10.836 6.280 1.00 7.30 H new ATOM 0 HB VAL A 125 17.382 9.122 4.448 1.00 6.19 H new ATOM 0 HG11 VAL A 125 14.958 8.697 4.577 1.00 6.15 H new ATOM 0 HG12 VAL A 125 15.636 9.177 6.151 1.00 6.15 H new ATOM 0 HG13 VAL A 125 14.710 10.351 5.186 1.00 6.15 H new ATOM 0 HG21 VAL A 125 15.936 9.512 2.492 1.00 5.62 H new ATOM 0 HG22 VAL A 125 15.731 11.207 2.992 1.00 5.62 H new ATOM 0 HG23 VAL A 125 17.338 10.608 2.517 1.00 5.62 H new ATOM 1886 N LYS A 126 19.646 10.506 4.988 1.00 7.21 N ATOM 1887 CA LYS A 126 20.967 10.551 4.416 1.00 7.44 C ATOM 1888 C LYS A 126 21.109 9.442 3.396 1.00 6.77 C ATOM 1889 O LYS A 126 20.826 8.283 3.689 1.00 6.29 O ATOM 1890 CB LYS A 126 22.040 10.426 5.487 1.00 8.03 C ATOM 1891 CG LYS A 126 23.440 10.417 4.928 1.00 8.46 C ATOM 1892 CD LYS A 126 24.471 10.275 6.026 1.00 9.06 C ATOM 1893 CE LYS A 126 24.437 11.457 6.986 1.00 9.72 C ATOM 1894 NZ LYS A 126 25.416 11.308 8.093 1.00 10.39 N1+ ATOM 0 H LYS A 126 19.504 9.757 5.666 1.00 7.21 H new ATOM 0 HA LYS A 126 21.102 11.517 3.928 1.00 7.44 H new ATOM 0 HB2 LYS A 126 21.942 11.254 6.189 1.00 8.03 H new ATOM 0 HB3 LYS A 126 21.875 9.508 6.052 1.00 8.03 H new ATOM 0 HG2 LYS A 126 23.545 9.596 4.219 1.00 8.46 H new ATOM 0 HG3 LYS A 126 23.619 11.339 4.376 1.00 8.46 H new ATOM 0 HD2 LYS A 126 24.290 9.353 6.578 1.00 9.06 H new ATOM 0 HD3 LYS A 126 25.464 10.193 5.584 1.00 9.06 H new ATOM 0 HE2 LYS A 126 24.648 12.375 6.437 1.00 9.72 H new ATOM 0 HE3 LYS A 126 23.434 11.557 7.401 1.00 9.72 H new ATOM 0 HZ1 LYS A 126 25.192 11.987 8.848 1.00 10.39 H new ATOM 0 HZ2 LYS A 126 25.367 10.341 8.471 1.00 10.39 H new ATOM 0 HZ3 LYS A 126 26.375 11.492 7.735 1.00 10.39 H new ATOM 1908 N ALA A 127 21.554 9.788 2.210 1.00 7.04 N ATOM 1909 CA ALA A 127 21.612 8.833 1.124 1.00 6.78 C ATOM 1910 C ALA A 127 22.863 9.008 0.286 1.00 7.69 C ATOM 1911 O ALA A 127 22.989 9.994 -0.441 1.00 8.30 O ATOM 1912 CB ALA A 127 20.382 8.980 0.253 1.00 6.34 C ATOM 0 H ALA A 127 21.882 10.724 1.971 1.00 7.04 H new ATOM 0 HA ALA A 127 21.643 7.833 1.557 1.00 6.78 H new ATOM 0 HB1 ALA A 127 20.427 8.260 -0.564 1.00 6.34 H new ATOM 0 HB2 ALA A 127 19.489 8.796 0.850 1.00 6.34 H new ATOM 0 HB3 ALA A 127 20.343 9.990 -0.155 1.00 6.34 H new ATOM 1918 N GLY A 128 23.816 8.107 0.410 1.00 8.00 N ATOM 1919 CA GLY A 128 24.859 8.083 -0.587 1.00 8.94 C ATOM 1920 C GLY A 128 25.535 6.741 -0.767 1.00 9.46 C ATOM 1921 O GLY A 128 26.691 6.570 -0.382 1.00 10.10 O ATOM 0 H GLY A 128 23.889 7.414 1.154 1.00 8.00 H new ATOM 0 HA2 GLY A 128 24.436 8.392 -1.543 1.00 8.94 H new ATOM 0 HA3 GLY A 128 25.615 8.822 -0.320 1.00 8.94 H new ATOM 1925 N ALA A 129 24.815 5.783 -1.328 1.00 9.37 N ATOM 1926 CA ALA A 129 25.390 4.718 -2.119 1.00 10.27 C ATOM 1927 C ALA A 129 24.347 4.302 -3.154 1.00 10.12 C ATOM 1928 O ALA A 129 23.173 4.656 -3.008 1.00 9.18 O ATOM 1929 CB ALA A 129 25.878 3.565 -1.260 1.00 10.61 C ATOM 0 H ALA A 129 23.800 5.727 -1.243 1.00 9.37 H new ATOM 0 HA ALA A 129 26.286 5.066 -2.632 1.00 10.27 H new ATOM 0 HB1 ALA A 129 26.302 2.790 -1.898 1.00 10.61 H new ATOM 0 HB2 ALA A 129 26.641 3.923 -0.569 1.00 10.61 H new ATOM 0 HB3 ALA A 129 25.042 3.153 -0.695 1.00 10.61 H new ATOM 1935 N THR A 130 24.736 3.590 -4.195 1.00 11.12 N ATOM 1936 CA THR A 130 23.760 3.091 -5.159 1.00 11.19 C ATOM 1937 C THR A 130 24.127 1.685 -5.604 1.00 12.15 C ATOM 1938 O THR A 130 25.263 1.430 -6.012 1.00 13.17 O ATOM 1939 CB THR A 130 23.674 4.000 -6.395 1.00 11.72 C ATOM 1940 OG1 THR A 130 23.614 5.376 -5.990 1.00 11.18 O ATOM 1941 CG2 THR A 130 22.451 3.662 -7.237 1.00 11.68 C ATOM 0 H THR A 130 25.705 3.344 -4.398 1.00 11.12 H new ATOM 0 HA THR A 130 22.790 3.082 -4.663 1.00 11.19 H new ATOM 0 HB THR A 130 24.567 3.836 -6.999 1.00 11.72 H new ATOM 0 HG1 THR A 130 23.561 5.949 -6.784 1.00 11.18 H new ATOM 0 HG21 THR A 130 22.414 4.320 -8.105 1.00 11.68 H new ATOM 0 HG22 THR A 130 22.513 2.626 -7.569 1.00 11.68 H new ATOM 0 HG23 THR A 130 21.549 3.798 -6.640 1.00 11.68 H new ATOM 1949 N ALA A 131 23.173 0.773 -5.530 1.00 11.92 N ATOM 1950 CA ALA A 131 23.428 -0.606 -5.899 1.00 12.91 C ATOM 1951 C ALA A 131 22.274 -1.212 -6.688 1.00 12.98 C ATOM 1952 O ALA A 131 21.155 -1.324 -6.187 1.00 12.19 O ATOM 1953 CB ALA A 131 23.711 -1.441 -4.660 1.00 12.87 C ATOM 0 H ALA A 131 22.220 0.962 -5.219 1.00 11.92 H new ATOM 0 HA ALA A 131 24.305 -0.611 -6.546 1.00 12.91 H new ATOM 0 HB1 ALA A 131 23.901 -2.474 -4.953 1.00 12.87 H new ATOM 0 HB2 ALA A 131 24.586 -1.043 -4.145 1.00 12.87 H new ATOM 0 HB3 ALA A 131 22.850 -1.405 -3.993 1.00 12.87 H new ATOM 1959 N GLY A 132 22.555 -1.592 -7.930 1.00 14.01 N ATOM 1960 CA GLY A 132 21.580 -2.297 -8.748 1.00 14.34 C ATOM 1961 C GLY A 132 20.335 -1.483 -9.033 1.00 13.47 C ATOM 1962 O GLY A 132 19.224 -2.014 -9.020 1.00 13.23 O ATOM 0 H GLY A 132 23.450 -1.423 -8.390 1.00 14.01 H new ATOM 0 HA2 GLY A 132 22.045 -2.579 -9.693 1.00 14.34 H new ATOM 0 HA3 GLY A 132 21.294 -3.221 -8.245 1.00 14.34 H new ATOM 1966 N GLY A 133 20.512 -0.195 -9.287 1.00 13.12 N ATOM 1967 CA GLY A 133 19.384 0.662 -9.584 1.00 12.40 C ATOM 1968 C GLY A 133 18.572 1.001 -8.348 1.00 10.98 C ATOM 1969 O GLY A 133 17.445 1.488 -8.447 1.00 10.30 O ATOM 0 H GLY A 133 21.419 0.272 -9.293 1.00 13.12 H new ATOM 0 HA2 GLY A 133 19.742 1.583 -10.043 1.00 12.40 H new ATOM 0 HA3 GLY A 133 18.741 0.171 -10.314 1.00 12.40 H new ATOM 1973 N GLN A 134 19.137 0.729 -7.180 1.00 10.62 N ATOM 1974 CA GLN A 134 18.502 1.076 -5.920 1.00 9.33 C ATOM 1975 C GLN A 134 19.440 1.971 -5.138 1.00 8.96 C ATOM 1976 O GLN A 134 20.631 2.018 -5.441 1.00 9.81 O ATOM 1977 CB GLN A 134 18.151 -0.175 -5.104 1.00 9.38 C ATOM 1978 CG GLN A 134 17.208 -1.135 -5.818 1.00 9.89 C ATOM 1979 CD GLN A 134 15.788 -0.609 -5.924 1.00 10.08 C ATOM 1980 OE1 GLN A 134 14.955 -0.867 -5.055 1.00 10.39 O ATOM 1981 NE2 GLN A 134 15.502 0.135 -6.979 1.00 10.17 N ATOM 0 H GLN A 134 20.040 0.266 -7.081 1.00 10.62 H new ATOM 0 HA GLN A 134 17.568 1.599 -6.124 1.00 9.33 H new ATOM 0 HB2 GLN A 134 19.071 -0.704 -4.855 1.00 9.38 H new ATOM 0 HB3 GLN A 134 17.695 0.133 -4.163 1.00 9.38 H new ATOM 0 HG2 GLN A 134 17.591 -1.333 -6.819 1.00 9.89 H new ATOM 0 HG3 GLN A 134 17.198 -2.087 -5.287 1.00 9.89 H new ATOM 0 HE21 GLN A 134 16.220 0.327 -7.678 1.00 10.17 H new ATOM 0 HE22 GLN A 134 14.563 0.517 -7.094 1.00 10.17 H new ATOM 1990 N SER A 135 18.938 2.667 -4.142 1.00 7.82 N ATOM 1991 CA SER A 135 19.771 3.585 -3.402 1.00 7.56 C ATOM 1992 C SER A 135 19.958 3.148 -1.957 1.00 7.12 C ATOM 1993 O SER A 135 19.088 2.497 -1.369 1.00 6.78 O ATOM 1994 CB SER A 135 19.206 4.998 -3.474 1.00 6.91 C ATOM 1995 OG SER A 135 17.810 4.997 -3.219 1.00 6.85 O ATOM 0 H SER A 135 17.968 2.616 -3.829 1.00 7.82 H new ATOM 0 HA SER A 135 20.756 3.580 -3.868 1.00 7.56 H new ATOM 0 HB2 SER A 135 19.712 5.634 -2.748 1.00 6.91 H new ATOM 0 HB3 SER A 135 19.400 5.422 -4.459 1.00 6.91 H new ATOM 0 HG SER A 135 17.632 5.457 -2.372 1.00 6.85 H new ATOM 2001 N GLU A 136 21.099 3.495 -1.405 1.00 7.39 N ATOM 2002 CA GLU A 136 21.402 3.233 -0.020 1.00 7.25 C ATOM 2003 C GLU A 136 21.041 4.421 0.866 1.00 6.42 C ATOM 2004 O GLU A 136 21.556 5.529 0.698 1.00 6.54 O ATOM 2005 CB GLU A 136 22.887 2.959 0.108 1.00 8.31 C ATOM 2006 CG GLU A 136 23.308 1.542 -0.261 1.00 9.31 C ATOM 2007 CD GLU A 136 23.469 1.276 -1.751 1.00 10.29 C ATOM 2008 OE1 GLU A 136 22.470 1.451 -2.490 1.00 10.79 O1- ATOM 2009 OE2 GLU A 136 24.577 0.931 -2.196 1.00 10.69 O ATOM 0 H GLU A 136 21.847 3.970 -1.910 1.00 7.39 H new ATOM 0 HA GLU A 136 20.815 2.374 0.305 1.00 7.25 H new ATOM 0 HB2 GLU A 136 23.428 3.661 -0.527 1.00 8.31 H new ATOM 0 HB3 GLU A 136 23.192 3.158 1.135 1.00 8.31 H new ATOM 0 HG2 GLU A 136 24.253 1.321 0.234 1.00 9.31 H new ATOM 0 HG3 GLU A 136 22.569 0.846 0.137 1.00 9.31 H new ATOM 2016 N ILE A 137 20.138 4.177 1.795 1.00 5.86 N ATOM 2017 CA ILE A 137 19.830 5.132 2.840 1.00 5.49 C ATOM 2018 C ILE A 137 20.707 4.858 4.044 1.00 6.25 C ATOM 2019 O ILE A 137 20.590 3.820 4.701 1.00 6.73 O ATOM 2020 CB ILE A 137 18.340 5.092 3.245 1.00 4.93 C ATOM 2021 CG1 ILE A 137 17.483 5.734 2.159 1.00 4.16 C ATOM 2022 CG2 ILE A 137 18.116 5.793 4.580 1.00 5.24 C ATOM 2023 CD1 ILE A 137 17.860 7.171 1.880 1.00 4.21 C ATOM 0 H ILE A 137 19.598 3.313 1.846 1.00 5.86 H new ATOM 0 HA ILE A 137 20.030 6.131 2.453 1.00 5.49 H new ATOM 0 HB ILE A 137 18.046 4.049 3.358 1.00 4.93 H new ATOM 0 HG12 ILE A 137 17.577 5.155 1.240 1.00 4.16 H new ATOM 0 HG13 ILE A 137 16.436 5.691 2.458 1.00 4.16 H new ATOM 0 HG21 ILE A 137 17.059 5.750 4.841 1.00 5.24 H new ATOM 0 HG22 ILE A 137 18.701 5.297 5.354 1.00 5.24 H new ATOM 0 HG23 ILE A 137 18.428 6.834 4.501 1.00 5.24 H new ATOM 0 HD11 ILE A 137 17.214 7.571 1.098 1.00 4.21 H new ATOM 0 HD12 ILE A 137 17.740 7.762 2.788 1.00 4.21 H new ATOM 0 HD13 ILE A 137 18.898 7.218 1.552 1.00 4.21 H new ATOM 2035 N LEU A 138 21.604 5.791 4.294 1.00 6.60 N ATOM 2036 CA LEU A 138 22.560 5.691 5.381 1.00 7.40 C ATOM 2037 C LEU A 138 21.858 5.961 6.699 1.00 7.59 C ATOM 2038 O LEU A 138 21.941 5.178 7.642 1.00 8.21 O ATOM 2039 CB LEU A 138 23.699 6.712 5.189 1.00 7.87 C ATOM 2040 CG LEU A 138 24.741 6.432 4.083 1.00 8.31 C ATOM 2041 CD1 LEU A 138 24.152 5.668 2.907 1.00 7.93 C ATOM 2042 CD2 LEU A 138 25.323 7.751 3.595 1.00 8.79 C ATOM 0 H LEU A 138 21.691 6.646 3.745 1.00 6.60 H new ATOM 0 HA LEU A 138 22.983 4.686 5.387 1.00 7.40 H new ATOM 0 HB2 LEU A 138 23.247 7.683 4.985 1.00 7.87 H new ATOM 0 HB3 LEU A 138 24.232 6.801 6.136 1.00 7.87 H new ATOM 0 HG LEU A 138 25.521 5.806 4.517 1.00 8.31 H new ATOM 0 HD11 LEU A 138 24.926 5.498 2.159 1.00 7.93 H new ATOM 0 HD12 LEU A 138 23.765 4.710 3.253 1.00 7.93 H new ATOM 0 HD13 LEU A 138 23.342 6.248 2.465 1.00 7.93 H new ATOM 0 HD21 LEU A 138 26.059 7.557 2.814 1.00 8.79 H new ATOM 0 HD22 LEU A 138 24.524 8.375 3.194 1.00 8.79 H new ATOM 0 HD23 LEU A 138 25.803 8.267 4.427 1.00 8.79 H new ATOM 2054 N GLU A 139 21.149 7.077 6.738 1.00 7.31 N ATOM 2055 CA GLU A 139 20.479 7.517 7.948 1.00 7.84 C ATOM 2056 C GLU A 139 19.143 8.158 7.624 1.00 7.45 C ATOM 2057 O GLU A 139 18.845 8.434 6.463 1.00 6.77 O ATOM 2058 CB GLU A 139 21.350 8.531 8.681 1.00 8.66 C ATOM 2059 CG GLU A 139 22.549 7.923 9.388 1.00 9.21 C ATOM 2060 CD GLU A 139 23.423 8.966 10.048 1.00 9.98 C ATOM 2061 OE1 GLU A 139 23.006 9.529 11.083 1.00 10.44 O ATOM 2062 OE2 GLU A 139 24.533 9.225 9.537 1.00 10.28 O1- ATOM 0 H GLU A 139 21.023 7.698 5.939 1.00 7.31 H new ATOM 0 HA GLU A 139 20.310 6.644 8.578 1.00 7.84 H new ATOM 0 HB2 GLU A 139 21.702 9.275 7.967 1.00 8.66 H new ATOM 0 HB3 GLU A 139 20.738 9.057 9.414 1.00 8.66 H new ATOM 0 HG2 GLU A 139 22.202 7.215 10.141 1.00 9.21 H new ATOM 0 HG3 GLU A 139 23.143 7.358 8.669 1.00 9.21 H new ATOM 2069 N GLY A 140 18.344 8.394 8.647 1.00 8.06 N ATOM 2070 CA GLY A 140 17.113 9.119 8.462 1.00 8.05 C ATOM 2071 C GLY A 140 15.884 8.306 8.790 1.00 8.05 C ATOM 2072 O GLY A 140 15.231 8.545 9.802 1.00 8.87 O ATOM 0 H GLY A 140 18.527 8.095 9.605 1.00 8.06 H new ATOM 0 HA2 GLY A 140 17.128 10.011 9.088 1.00 8.05 H new ATOM 0 HA3 GLY A 140 17.051 9.457 7.428 1.00 8.05 H new ATOM 2076 N LEU A 141 15.564 7.341 7.943 1.00 7.34 N ATOM 2077 CA LEU A 141 14.338 6.609 8.077 1.00 7.46 C ATOM 2078 C LEU A 141 14.612 5.176 8.556 1.00 8.16 C ATOM 2079 O LEU A 141 15.768 4.753 8.630 1.00 8.50 O ATOM 2080 CB LEU A 141 13.609 6.641 6.736 1.00 6.40 C ATOM 2081 CG LEU A 141 12.228 6.028 6.745 1.00 6.03 C ATOM 2082 CD1 LEU A 141 11.308 6.766 7.711 1.00 5.58 C ATOM 2083 CD2 LEU A 141 11.635 6.019 5.347 1.00 6.58 C ATOM 0 H LEU A 141 16.146 7.054 7.156 1.00 7.34 H new ATOM 0 HA LEU A 141 13.701 7.069 8.833 1.00 7.46 H new ATOM 0 HB2 LEU A 141 13.528 7.677 6.408 1.00 6.40 H new ATOM 0 HB3 LEU A 141 14.217 6.119 5.997 1.00 6.40 H new ATOM 0 HG LEU A 141 12.321 4.997 7.087 1.00 6.03 H new ATOM 0 HD11 LEU A 141 10.321 6.304 7.698 1.00 5.58 H new ATOM 0 HD12 LEU A 141 11.720 6.712 8.719 1.00 5.58 H new ATOM 0 HD13 LEU A 141 11.224 7.810 7.408 1.00 5.58 H new ATOM 0 HD21 LEU A 141 10.641 5.573 5.376 1.00 6.58 H new ATOM 0 HD22 LEU A 141 11.564 7.041 4.975 1.00 6.58 H new ATOM 0 HD23 LEU A 141 12.274 5.436 4.684 1.00 6.58 H new ATOM 2095 N LYS A 142 13.557 4.433 8.872 1.00 8.54 N ATOM 2096 CA LYS A 142 13.700 3.116 9.481 1.00 9.51 C ATOM 2097 C LYS A 142 13.026 2.039 8.651 1.00 9.48 C ATOM 2098 O LYS A 142 12.094 2.295 7.890 1.00 8.97 O ATOM 2099 CB LYS A 142 13.074 3.146 10.876 1.00 10.71 C ATOM 2100 CG LYS A 142 13.233 1.854 11.663 1.00 11.83 C ATOM 2101 CD LYS A 142 12.538 1.932 13.012 1.00 12.89 C ATOM 2102 CE LYS A 142 12.685 0.634 13.786 1.00 13.50 C ATOM 2103 NZ LYS A 142 12.010 0.697 15.109 1.00 14.15 N1+ ATOM 0 H LYS A 142 12.591 4.721 8.716 1.00 8.54 H new ATOM 0 HA LYS A 142 14.762 2.878 9.540 1.00 9.51 H new ATOM 0 HB2 LYS A 142 13.522 3.961 11.445 1.00 10.71 H new ATOM 0 HB3 LYS A 142 12.012 3.370 10.780 1.00 10.71 H new ATOM 0 HG2 LYS A 142 12.821 1.024 11.088 1.00 11.83 H new ATOM 0 HG3 LYS A 142 14.293 1.645 11.810 1.00 11.83 H new ATOM 0 HD2 LYS A 142 12.958 2.753 13.593 1.00 12.89 H new ATOM 0 HD3 LYS A 142 11.481 2.153 12.866 1.00 12.89 H new ATOM 0 HE2 LYS A 142 12.265 -0.186 13.203 1.00 13.50 H new ATOM 0 HE3 LYS A 142 13.743 0.414 13.929 1.00 13.50 H new ATOM 0 HZ1 LYS A 142 12.134 -0.208 15.605 1.00 14.15 H new ATOM 0 HZ2 LYS A 142 12.428 1.463 15.676 1.00 14.15 H new ATOM 0 HZ3 LYS A 142 10.996 0.881 14.973 1.00 14.15 H new ATOM 2117 N ALA A 143 13.537 0.827 8.823 1.00 10.19 N ATOM 2118 CA ALA A 143 13.002 -0.360 8.181 1.00 10.49 C ATOM 2119 C ALA A 143 11.619 -0.651 8.713 1.00 11.20 C ATOM 2120 O ALA A 143 11.392 -0.602 9.922 1.00 12.12 O ATOM 2121 CB ALA A 143 13.906 -1.550 8.422 1.00 11.37 C ATOM 0 H ALA A 143 14.343 0.641 9.419 1.00 10.19 H new ATOM 0 HA ALA A 143 12.946 -0.179 7.108 1.00 10.49 H new ATOM 0 HB1 ALA A 143 13.488 -2.430 7.933 1.00 11.37 H new ATOM 0 HB2 ALA A 143 14.895 -1.344 8.014 1.00 11.37 H new ATOM 0 HB3 ALA A 143 13.987 -1.735 9.493 1.00 11.37 H new ATOM 2127 N GLY A 144 10.702 -0.959 7.820 1.00 10.88 N ATOM 2128 CA GLY A 144 9.331 -1.144 8.219 1.00 11.54 C ATOM 2129 C GLY A 144 8.498 0.079 7.916 1.00 10.82 C ATOM 2130 O GLY A 144 7.286 0.087 8.139 1.00 11.32 O ATOM 0 H GLY A 144 10.882 -1.085 6.824 1.00 10.88 H new ATOM 0 HA2 GLY A 144 8.913 -2.008 7.701 1.00 11.54 H new ATOM 0 HA3 GLY A 144 9.287 -1.360 9.286 1.00 11.54 H new ATOM 2134 N GLN A 145 9.144 1.122 7.402 1.00 9.74 N ATOM 2135 CA GLN A 145 8.428 2.310 6.995 1.00 9.10 C ATOM 2136 C GLN A 145 8.317 2.321 5.485 1.00 8.05 C ATOM 2137 O GLN A 145 9.162 1.759 4.800 1.00 7.35 O ATOM 2138 CB GLN A 145 9.094 3.597 7.494 1.00 8.76 C ATOM 2139 CG GLN A 145 9.413 3.600 8.984 1.00 9.88 C ATOM 2140 CD GLN A 145 8.206 3.339 9.870 1.00 10.75 C ATOM 2141 OE1 GLN A 145 7.033 3.775 9.438 1.00 11.13 O flip ATOM 2142 NE2 GLN A 145 8.335 2.757 10.947 1.00 11.24 N flip ATOM 0 H GLN A 145 10.153 1.162 7.261 1.00 9.74 H new ATOM 0 HA GLN A 145 7.436 2.281 7.447 1.00 9.10 H new ATOM 0 HB2 GLN A 145 10.017 3.755 6.936 1.00 8.76 H new ATOM 0 HB3 GLN A 145 8.440 4.440 7.273 1.00 8.76 H new ATOM 0 HG2 GLN A 145 10.171 2.843 9.185 1.00 9.88 H new ATOM 0 HG3 GLN A 145 9.847 4.564 9.251 1.00 9.88 H new ATOM 0 HE21 GLN A 145 9.256 2.436 11.246 1.00 11.24 H new ATOM 0 HE22 GLN A 145 7.521 2.596 11.540 1.00 11.24 H new ATOM 2151 N GLN A 146 7.295 2.954 4.973 1.00 8.12 N ATOM 2152 CA GLN A 146 7.051 2.974 3.541 1.00 7.34 C ATOM 2153 C GLN A 146 7.441 4.314 2.935 1.00 6.41 C ATOM 2154 O GLN A 146 7.381 5.347 3.592 1.00 6.79 O ATOM 2155 CB GLN A 146 5.570 2.723 3.286 1.00 8.14 C ATOM 2156 CG GLN A 146 5.134 1.323 3.643 1.00 9.01 C ATOM 2157 CD GLN A 146 3.630 1.126 3.580 1.00 9.89 C ATOM 2158 OE1 GLN A 146 2.876 2.176 3.873 1.00 10.17 O flip ATOM 2159 NE2 GLN A 146 3.147 0.032 3.290 1.00 10.49 N flip ATOM 0 H GLN A 146 6.609 3.469 5.525 1.00 8.12 H new ATOM 0 HA GLN A 146 7.657 2.197 3.076 1.00 7.34 H new ATOM 0 HB2 GLN A 146 4.983 3.438 3.862 1.00 8.14 H new ATOM 0 HB3 GLN A 146 5.353 2.907 2.234 1.00 8.14 H new ATOM 0 HG2 GLN A 146 5.614 0.617 2.966 1.00 9.01 H new ATOM 0 HG3 GLN A 146 5.482 1.087 4.649 1.00 9.01 H new ATOM 0 HE21 GLN A 146 3.759 -0.754 3.070 1.00 10.49 H new ATOM 0 HE22 GLN A 146 2.134 -0.089 3.269 1.00 10.49 H new ATOM 2168 N VAL A 147 7.852 4.276 1.682 1.00 5.45 N ATOM 2169 CA VAL A 147 8.138 5.483 0.916 1.00 4.76 C ATOM 2170 C VAL A 147 7.537 5.350 -0.473 1.00 4.67 C ATOM 2171 O VAL A 147 7.465 4.245 -1.009 1.00 4.76 O ATOM 2172 CB VAL A 147 9.653 5.761 0.784 1.00 3.89 C ATOM 2173 CG1 VAL A 147 10.254 6.129 2.130 1.00 4.21 C ATOM 2174 CG2 VAL A 147 10.381 4.564 0.184 1.00 3.49 C ATOM 0 H VAL A 147 7.998 3.410 1.163 1.00 5.45 H new ATOM 0 HA VAL A 147 7.696 6.320 1.456 1.00 4.76 H new ATOM 0 HB VAL A 147 9.778 6.607 0.108 1.00 3.89 H new ATOM 0 HG11 VAL A 147 11.321 6.320 2.012 1.00 4.21 H new ATOM 0 HG12 VAL A 147 9.765 7.024 2.514 1.00 4.21 H new ATOM 0 HG13 VAL A 147 10.108 5.307 2.831 1.00 4.21 H new ATOM 0 HG21 VAL A 147 11.445 4.788 0.103 1.00 3.49 H new ATOM 0 HG22 VAL A 147 10.241 3.694 0.826 1.00 3.49 H new ATOM 0 HG23 VAL A 147 9.978 4.352 -0.807 1.00 3.49 H new ATOM 2184 N VAL A 148 7.089 6.460 -1.042 1.00 4.95 N ATOM 2185 CA VAL A 148 6.449 6.428 -2.352 1.00 5.28 C ATOM 2186 C VAL A 148 7.479 6.183 -3.454 1.00 4.93 C ATOM 2187 O VAL A 148 8.505 6.861 -3.535 1.00 4.74 O ATOM 2188 CB VAL A 148 5.655 7.723 -2.650 1.00 6.08 C ATOM 2189 CG1 VAL A 148 4.588 7.947 -1.591 1.00 6.56 C ATOM 2190 CG2 VAL A 148 6.572 8.932 -2.739 1.00 6.56 C ATOM 0 H VAL A 148 7.155 7.387 -0.623 1.00 4.95 H new ATOM 0 HA VAL A 148 5.739 5.601 -2.334 1.00 5.28 H new ATOM 0 HB VAL A 148 5.172 7.599 -3.619 1.00 6.08 H new ATOM 0 HG11 VAL A 148 4.039 8.862 -1.815 1.00 6.56 H new ATOM 0 HG12 VAL A 148 3.899 7.102 -1.584 1.00 6.56 H new ATOM 0 HG13 VAL A 148 5.060 8.038 -0.613 1.00 6.56 H new ATOM 0 HG21 VAL A 148 5.980 9.823 -2.949 1.00 6.56 H new ATOM 0 HG22 VAL A 148 7.098 9.060 -1.793 1.00 6.56 H new ATOM 0 HG23 VAL A 148 7.297 8.781 -3.539 1.00 6.56 H new ATOM 2200 N VAL A 149 7.202 5.191 -4.290 1.00 5.25 N ATOM 2201 CA VAL A 149 8.147 4.762 -5.310 1.00 5.51 C ATOM 2202 C VAL A 149 7.455 4.619 -6.659 1.00 6.47 C ATOM 2203 O VAL A 149 8.019 4.044 -7.587 1.00 6.99 O ATOM 2204 CB VAL A 149 8.803 3.413 -4.927 1.00 5.65 C ATOM 2205 CG1 VAL A 149 9.186 3.417 -3.464 1.00 5.29 C ATOM 2206 CG2 VAL A 149 7.885 2.232 -5.213 1.00 6.22 C ATOM 0 H VAL A 149 6.327 4.667 -4.281 1.00 5.25 H new ATOM 0 HA VAL A 149 8.922 5.526 -5.381 1.00 5.51 H new ATOM 0 HB VAL A 149 9.696 3.299 -5.542 1.00 5.65 H new ATOM 0 HG11 VAL A 149 9.646 2.463 -3.206 1.00 5.29 H new ATOM 0 HG12 VAL A 149 9.894 4.224 -3.275 1.00 5.29 H new ATOM 0 HG13 VAL A 149 8.294 3.566 -2.855 1.00 5.29 H new ATOM 0 HG21 VAL A 149 8.385 1.306 -4.930 1.00 6.22 H new ATOM 0 HG22 VAL A 149 6.965 2.339 -4.638 1.00 6.22 H new ATOM 0 HG23 VAL A 149 7.647 2.205 -6.276 1.00 6.22 H new ATOM 2234 N GLN A 152 9.193 3.128 -10.086 1.00 8.97 N ATOM 2235 CA GLN A 152 10.363 2.292 -9.763 1.00 9.41 C ATOM 2236 C GLN A 152 10.805 1.434 -10.948 1.00 9.73 C ATOM 2237 O GLN A 152 10.896 0.208 -10.850 1.00 9.97 O ATOM 2238 CB GLN A 152 10.108 1.412 -8.521 1.00 10.01 C ATOM 2239 CG GLN A 152 8.955 0.424 -8.656 1.00 10.63 C ATOM 2240 CD GLN A 152 9.033 -0.699 -7.641 1.00 11.38 C ATOM 2241 OE1 GLN A 152 8.485 -0.606 -6.543 1.00 11.71 O ATOM 2242 NE2 GLN A 152 9.725 -1.769 -8.002 1.00 11.84 N ATOM 0 HA GLN A 152 11.178 2.978 -9.532 1.00 9.41 H new ATOM 0 HB2 GLN A 152 11.018 0.856 -8.295 1.00 10.01 H new ATOM 0 HB3 GLN A 152 9.912 2.062 -7.668 1.00 10.01 H new ATOM 0 HG2 GLN A 152 8.010 0.954 -8.535 1.00 10.63 H new ATOM 0 HG3 GLN A 152 8.958 0.002 -9.661 1.00 10.63 H new ATOM 0 HE21 GLN A 152 10.164 -1.806 -8.922 1.00 11.84 H new ATOM 0 HE22 GLN A 152 9.819 -2.556 -7.360 1.00 11.84 H new ATOM 2251 N PHE A 153 11.097 2.081 -12.065 1.00 9.95 N ATOM 2252 CA PHE A 153 11.449 1.357 -13.274 1.00 10.47 C ATOM 2253 C PHE A 153 12.868 1.685 -13.716 1.00 10.93 C ATOM 2254 O PHE A 153 13.282 2.847 -13.725 1.00 11.34 O ATOM 2255 CB PHE A 153 10.436 1.626 -14.399 1.00 10.62 C ATOM 2256 CG PHE A 153 10.349 3.056 -14.859 1.00 11.04 C ATOM 2257 CD1 PHE A 153 9.646 3.997 -14.122 1.00 11.27 C ATOM 2258 CD2 PHE A 153 10.955 3.450 -16.039 1.00 11.41 C ATOM 2259 CE1 PHE A 153 9.556 5.305 -14.554 1.00 11.87 C ATOM 2260 CE2 PHE A 153 10.866 4.757 -16.475 1.00 12.02 C ATOM 2261 CZ PHE A 153 10.164 5.686 -15.733 1.00 12.24 C ATOM 0 H PHE A 153 11.097 3.097 -12.159 1.00 9.95 H new ATOM 0 HA PHE A 153 11.412 0.292 -13.047 1.00 10.47 H new ATOM 0 HB2 PHE A 153 10.694 1.002 -15.254 1.00 10.62 H new ATOM 0 HB3 PHE A 153 9.449 1.310 -14.060 1.00 10.62 H new ATOM 0 HD1 PHE A 153 9.164 3.704 -13.201 1.00 11.27 H new ATOM 0 HD2 PHE A 153 11.503 2.727 -16.625 1.00 11.41 H new ATOM 0 HE1 PHE A 153 9.010 6.030 -13.969 1.00 11.87 H new ATOM 0 HE2 PHE A 153 11.345 5.053 -17.396 1.00 12.02 H new ATOM 0 HZ PHE A 153 10.091 6.708 -16.074 1.00 12.24 H new ATOM 2271 N LEU A 154 13.611 0.648 -14.065 1.00 11.05 N ATOM 2272 CA LEU A 154 15.005 0.788 -14.464 1.00 11.63 C ATOM 2273 C LEU A 154 15.114 1.075 -15.960 1.00 11.39 C ATOM 2274 O LEU A 154 14.128 1.436 -16.604 1.00 11.57 O ATOM 2275 CB LEU A 154 15.775 -0.486 -14.109 1.00 12.16 C ATOM 2276 CG LEU A 154 15.799 -0.841 -12.620 1.00 12.68 C ATOM 2277 CD1 LEU A 154 16.536 -2.151 -12.394 1.00 13.16 C ATOM 2278 CD2 LEU A 154 16.446 0.277 -11.811 1.00 13.04 C ATOM 0 H LEU A 154 13.268 -0.312 -14.080 1.00 11.05 H new ATOM 0 HA LEU A 154 15.440 1.630 -13.925 1.00 11.63 H new ATOM 0 HB2 LEU A 154 15.338 -1.320 -14.658 1.00 12.16 H new ATOM 0 HB3 LEU A 154 16.802 -0.379 -14.457 1.00 12.16 H new ATOM 0 HG LEU A 154 14.770 -0.960 -12.282 1.00 12.68 H new ATOM 0 HD11 LEU A 154 16.542 -2.386 -11.330 1.00 13.16 H new ATOM 0 HD12 LEU A 154 16.033 -2.950 -12.939 1.00 13.16 H new ATOM 0 HD13 LEU A 154 17.562 -2.058 -12.751 1.00 13.16 H new ATOM 0 HD21 LEU A 154 16.453 0.005 -10.755 1.00 13.04 H new ATOM 0 HD22 LEU A 154 17.470 0.429 -12.154 1.00 13.04 H new ATOM 0 HD23 LEU A 154 15.879 1.198 -11.945 1.00 13.04 H new ATOM 2290 N ILE A 155 16.319 0.925 -16.502 1.00 11.17 N ATOM 2291 CA ILE A 155 16.561 1.164 -17.922 1.00 11.08 C ATOM 2292 C ILE A 155 16.089 -0.015 -18.776 1.00 10.31 C ATOM 2293 O ILE A 155 15.306 -0.846 -18.312 1.00 9.93 O ATOM 2294 CB ILE A 155 18.057 1.435 -18.205 1.00 11.39 C ATOM 2295 CG1 ILE A 155 18.918 0.244 -17.761 1.00 11.61 C ATOM 2296 CG2 ILE A 155 18.498 2.714 -17.509 1.00 11.66 C ATOM 2297 CD1 ILE A 155 20.389 0.407 -18.074 1.00 11.95 C ATOM 0 H ILE A 155 17.146 0.638 -15.978 1.00 11.17 H new ATOM 0 HA ILE A 155 15.986 2.049 -18.192 1.00 11.08 H new ATOM 0 HB ILE A 155 18.192 1.563 -19.279 1.00 11.39 H new ATOM 0 HG12 ILE A 155 18.798 0.100 -16.687 1.00 11.61 H new ATOM 0 HG13 ILE A 155 18.550 -0.660 -18.247 1.00 11.61 H new ATOM 0 HG21 ILE A 155 19.553 2.895 -17.715 1.00 11.66 H new ATOM 0 HG22 ILE A 155 17.907 3.552 -17.879 1.00 11.66 H new ATOM 0 HG23 ILE A 155 18.351 2.613 -16.434 1.00 11.66 H new ATOM 0 HD11 ILE A 155 20.934 -0.473 -17.731 1.00 11.95 H new ATOM 0 HD12 ILE A 155 20.522 0.520 -19.150 1.00 11.95 H new ATOM 0 HD13 ILE A 155 20.773 1.292 -17.566 1.00 11.95 H new ATOM 2309 N ASP A 156 16.584 -0.097 -20.011 1.00 10.31 N ATOM 2310 CA ASP A 156 16.158 -1.133 -20.959 1.00 9.81 C ATOM 2311 C ASP A 156 16.341 -2.546 -20.397 1.00 9.63 C ATOM 2312 O ASP A 156 15.665 -3.472 -20.845 1.00 9.09 O ATOM 2313 CB ASP A 156 16.924 -1.005 -22.278 1.00 10.26 C ATOM 2314 CG ASP A 156 18.412 -1.217 -22.104 1.00 10.68 C ATOM 2315 OD1 ASP A 156 19.117 -0.245 -21.771 1.00 11.22 O ATOM 2316 OD2 ASP A 156 18.885 -2.355 -22.285 1.00 10.64 O1- ATOM 0 H ASP A 156 17.285 0.545 -20.382 1.00 10.31 H new ATOM 0 HA ASP A 156 15.094 -0.978 -21.136 1.00 9.81 H new ATOM 0 HB2 ASP A 156 16.537 -1.732 -22.992 1.00 10.26 H new ATOM 0 HB3 ASP A 156 16.748 -0.017 -22.703 1.00 10.26 H new ATOM 2321 N SER A 157 17.240 -2.721 -19.440 1.00 10.26 N ATOM 2322 CA SER A 157 17.451 -4.028 -18.823 1.00 10.38 C ATOM 2323 C SER A 157 16.142 -4.583 -18.279 1.00 9.63 C ATOM 2324 O SER A 157 15.765 -5.723 -18.568 1.00 9.37 O ATOM 2325 CB SER A 157 18.492 -3.913 -17.708 1.00 11.42 C ATOM 2326 OG SER A 157 19.670 -3.276 -18.181 1.00 11.90 O ATOM 0 H SER A 157 17.835 -1.979 -19.073 1.00 10.26 H new ATOM 0 HA SER A 157 17.821 -4.719 -19.581 1.00 10.38 H new ATOM 0 HB2 SER A 157 18.077 -3.347 -16.874 1.00 11.42 H new ATOM 0 HB3 SER A 157 18.737 -4.905 -17.329 1.00 11.42 H new ATOM 0 HG SER A 157 20.322 -3.211 -17.452 1.00 11.90 H new ATOM 2332 N GLU A 158 15.433 -3.743 -17.540 1.00 9.47 N ATOM 2333 CA GLU A 158 14.151 -4.115 -16.964 1.00 9.00 C ATOM 2334 C GLU A 158 13.160 -4.462 -18.063 1.00 8.03 C ATOM 2335 O GLU A 158 12.273 -5.291 -17.885 1.00 7.69 O ATOM 2336 CB GLU A 158 13.598 -2.967 -16.124 1.00 9.38 C ATOM 2337 CG GLU A 158 12.249 -3.269 -15.500 1.00 10.19 C ATOM 2338 CD GLU A 158 11.531 -2.016 -15.064 1.00 10.79 C ATOM 2339 OE1 GLU A 158 11.818 -1.516 -13.963 1.00 11.17 O1- ATOM 2340 OE2 GLU A 158 10.686 -1.518 -15.836 1.00 11.06 O ATOM 0 H GLU A 158 15.728 -2.791 -17.324 1.00 9.47 H new ATOM 0 HA GLU A 158 14.299 -4.987 -16.328 1.00 9.00 H new ATOM 0 HB2 GLU A 158 14.310 -2.730 -15.334 1.00 9.38 H new ATOM 0 HB3 GLU A 158 13.509 -2.079 -16.750 1.00 9.38 H new ATOM 0 HG2 GLU A 158 11.631 -3.809 -16.217 1.00 10.19 H new ATOM 0 HG3 GLU A 158 12.387 -3.925 -14.640 1.00 10.19 H new ATOM 2347 N ALA A 159 13.330 -3.837 -19.212 1.00 7.82 N ATOM 2348 CA ALA A 159 12.390 -3.993 -20.301 1.00 7.20 C ATOM 2349 C ALA A 159 12.664 -5.243 -21.114 1.00 7.12 C ATOM 2350 O ALA A 159 11.762 -5.796 -21.746 1.00 6.81 O ATOM 2351 CB ALA A 159 12.406 -2.760 -21.187 1.00 7.44 C ATOM 0 H ALA A 159 14.113 -3.215 -19.414 1.00 7.82 H new ATOM 0 HA ALA A 159 11.396 -4.106 -19.867 1.00 7.20 H new ATOM 0 HB1 ALA A 159 11.695 -2.889 -22.003 1.00 7.44 H new ATOM 0 HB2 ALA A 159 12.128 -1.885 -20.599 1.00 7.44 H new ATOM 0 HB3 ALA A 159 13.406 -2.619 -21.596 1.00 7.44 H new ATOM 2357 N SER A 160 13.905 -5.685 -21.099 1.00 7.72 N ATOM 2358 CA SER A 160 14.267 -6.929 -21.742 1.00 8.04 C ATOM 2359 C SER A 160 13.800 -8.094 -20.878 1.00 7.99 C ATOM 2360 O SER A 160 13.460 -9.163 -21.382 1.00 8.08 O ATOM 2361 CB SER A 160 15.785 -6.997 -21.954 1.00 8.99 C ATOM 2362 OG SER A 160 16.164 -8.170 -22.649 1.00 9.64 O ATOM 0 H SER A 160 14.680 -5.199 -20.647 1.00 7.72 H new ATOM 0 HA SER A 160 13.784 -6.986 -22.717 1.00 8.04 H new ATOM 0 HB2 SER A 160 16.114 -6.121 -22.512 1.00 8.99 H new ATOM 0 HB3 SER A 160 16.289 -6.967 -20.988 1.00 8.99 H new ATOM 0 HG SER A 160 17.137 -8.180 -22.768 1.00 9.64 H new ATOM 2368 N LEU A 161 13.766 -7.865 -19.574 1.00 8.10 N ATOM 2369 CA LEU A 161 13.431 -8.906 -18.628 1.00 8.40 C ATOM 2370 C LEU A 161 11.923 -9.002 -18.375 1.00 7.89 C ATOM 2371 O LEU A 161 11.404 -10.086 -18.108 1.00 8.18 O ATOM 2372 CB LEU A 161 14.254 -8.695 -17.347 1.00 9.04 C ATOM 2373 CG LEU A 161 13.953 -7.463 -16.495 1.00 9.80 C ATOM 2374 CD1 LEU A 161 12.658 -7.638 -15.725 1.00 10.57 C ATOM 2375 CD2 LEU A 161 15.104 -7.195 -15.536 1.00 10.37 C ATOM 0 H LEU A 161 13.968 -6.960 -19.150 1.00 8.10 H new ATOM 0 HA LEU A 161 13.696 -9.876 -19.048 1.00 8.40 H new ATOM 0 HB2 LEU A 161 14.124 -9.576 -16.718 1.00 9.04 H new ATOM 0 HB3 LEU A 161 15.306 -8.657 -17.629 1.00 9.04 H new ATOM 0 HG LEU A 161 13.839 -6.607 -17.161 1.00 9.80 H new ATOM 0 HD11 LEU A 161 12.467 -6.747 -15.127 1.00 10.57 H new ATOM 0 HD12 LEU A 161 11.836 -7.788 -16.425 1.00 10.57 H new ATOM 0 HD13 LEU A 161 12.739 -8.505 -15.069 1.00 10.57 H new ATOM 0 HD21 LEU A 161 14.879 -6.315 -14.934 1.00 10.37 H new ATOM 0 HD22 LEU A 161 15.241 -8.056 -14.882 1.00 10.37 H new ATOM 0 HD23 LEU A 161 16.018 -7.022 -16.104 1.00 10.37 H new ATOM 2387 N ARG A 162 11.219 -7.883 -18.482 1.00 7.38 N ATOM 2388 CA ARG A 162 9.788 -7.861 -18.236 1.00 7.17 C ATOM 2389 C ARG A 162 9.026 -8.357 -19.457 1.00 6.87 C ATOM 2390 O ARG A 162 9.311 -7.969 -20.590 1.00 6.95 O ATOM 2391 CB ARG A 162 9.347 -6.442 -17.879 1.00 7.15 C ATOM 2392 CG ARG A 162 9.230 -5.508 -19.067 1.00 7.34 C ATOM 2393 CD ARG A 162 8.988 -4.079 -18.622 1.00 7.40 C ATOM 2394 NE ARG A 162 8.956 -3.145 -19.744 1.00 7.84 N ATOM 2395 CZ ARG A 162 9.246 -1.846 -19.639 1.00 8.24 C ATOM 2396 NH1 ARG A 162 9.606 -1.327 -18.472 1.00 8.25 N1+ ATOM 2397 NH2 ARG A 162 9.184 -1.065 -20.710 1.00 8.90 N ATOM 0 H ARG A 162 11.618 -6.980 -18.738 1.00 7.38 H new ATOM 0 HA ARG A 162 9.566 -8.526 -17.401 1.00 7.17 H new ATOM 0 HB2 ARG A 162 8.383 -6.490 -17.373 1.00 7.15 H new ATOM 0 HB3 ARG A 162 10.059 -6.021 -17.169 1.00 7.15 H new ATOM 0 HG2 ARG A 162 10.142 -5.556 -19.662 1.00 7.34 H new ATOM 0 HG3 ARG A 162 8.413 -5.834 -19.710 1.00 7.34 H new ATOM 0 HD2 ARG A 162 8.044 -4.025 -18.081 1.00 7.40 H new ATOM 0 HD3 ARG A 162 9.772 -3.780 -17.926 1.00 7.40 H new ATOM 0 HE ARG A 162 8.697 -3.506 -20.662 1.00 7.84 H new ATOM 0 HH11 ARG A 162 9.663 -1.922 -17.645 1.00 8.25 H new ATOM 0 HH12 ARG A 162 9.826 -0.333 -18.402 1.00 8.25 H new ATOM 0 HH21 ARG A 162 8.915 -1.457 -21.612 1.00 8.90 H new ATOM 0 HH22 ARG A 162 9.405 -0.072 -20.631 1.00 8.90 H new ATOM 2411 N GLY A 163 8.082 -9.247 -19.220 1.00 6.89 N ATOM 2412 CA GLY A 163 7.277 -9.771 -20.295 1.00 7.01 C ATOM 2413 C GLY A 163 5.848 -9.293 -20.210 1.00 6.68 C ATOM 2414 O GLY A 163 4.960 -10.064 -19.843 1.00 7.15 O ATOM 0 H GLY A 163 7.858 -9.618 -18.297 1.00 6.89 H new ATOM 0 HA2 GLY A 163 7.705 -9.468 -21.251 1.00 7.01 H new ATOM 0 HA3 GLY A 163 7.298 -10.860 -20.267 1.00 7.01 H new ATOM 2418 N THR A 164 5.647 -8.018 -20.554 1.00 6.17 N ATOM 2419 CA THR A 164 4.342 -7.355 -20.480 1.00 6.16 C ATOM 2420 C THR A 164 3.648 -7.618 -19.147 1.00 6.65 C ATOM 2421 O THR A 164 2.777 -8.484 -19.052 1.00 7.09 O ATOM 2422 CB THR A 164 3.405 -7.762 -21.644 1.00 6.38 C ATOM 2423 OG1 THR A 164 3.340 -9.189 -21.770 1.00 6.86 O ATOM 2424 CG2 THR A 164 3.871 -7.156 -22.954 1.00 6.23 C ATOM 0 H THR A 164 6.393 -7.411 -20.895 1.00 6.17 H new ATOM 0 HA THR A 164 4.546 -6.288 -20.566 1.00 6.16 H new ATOM 0 HB THR A 164 2.410 -7.380 -21.415 1.00 6.38 H new ATOM 0 HG1 THR A 164 3.559 -9.604 -20.909 1.00 6.86 H new ATOM 0 HG21 THR A 164 3.196 -7.457 -23.755 1.00 6.23 H new ATOM 0 HG22 THR A 164 3.874 -6.069 -22.871 1.00 6.23 H new ATOM 0 HG23 THR A 164 4.879 -7.505 -23.178 1.00 6.23 H new ATOM 2432 N VAL A 165 4.038 -6.856 -18.126 1.00 6.89 N ATOM 2433 CA VAL A 165 3.526 -7.049 -16.773 1.00 7.69 C ATOM 2434 C VAL A 165 3.965 -8.413 -16.255 1.00 7.93 C ATOM 2435 O VAL A 165 3.229 -9.401 -16.350 1.00 8.39 O ATOM 2436 CB VAL A 165 1.982 -6.922 -16.695 1.00 8.39 C ATOM 2437 CG1 VAL A 165 1.499 -7.030 -15.252 1.00 9.20 C ATOM 2438 CG2 VAL A 165 1.522 -5.611 -17.313 1.00 8.56 C ATOM 0 H VAL A 165 4.711 -6.095 -18.213 1.00 6.89 H new ATOM 0 HA VAL A 165 3.940 -6.257 -16.149 1.00 7.69 H new ATOM 0 HB VAL A 165 1.546 -7.744 -17.262 1.00 8.39 H new ATOM 0 HG11 VAL A 165 0.413 -6.938 -15.224 1.00 9.20 H new ATOM 0 HG12 VAL A 165 1.792 -7.996 -14.842 1.00 9.20 H new ATOM 0 HG13 VAL A 165 1.946 -6.233 -14.658 1.00 9.20 H new ATOM 0 HG21 VAL A 165 0.436 -5.540 -17.249 1.00 8.56 H new ATOM 0 HG22 VAL A 165 1.973 -4.777 -16.775 1.00 8.56 H new ATOM 0 HG23 VAL A 165 1.827 -5.575 -18.359 1.00 8.56 H new ATOM 2448 N ALA A 166 5.187 -8.460 -15.749 1.00 7.88 N ATOM 2449 CA ALA A 166 5.775 -9.696 -15.257 1.00 8.33 C ATOM 2450 C ALA A 166 4.942 -10.284 -14.125 1.00 8.94 C ATOM 2451 O ALA A 166 4.508 -9.570 -13.222 1.00 9.11 O ATOM 2452 CB ALA A 166 7.201 -9.445 -14.799 1.00 8.31 C ATOM 0 H ALA A 166 5.797 -7.647 -15.668 1.00 7.88 H new ATOM 0 HA ALA A 166 5.789 -10.421 -16.071 1.00 8.33 H new ATOM 0 HB1 ALA A 166 7.634 -10.375 -14.432 1.00 8.31 H new ATOM 0 HB2 ALA A 166 7.792 -9.075 -15.637 1.00 8.31 H new ATOM 0 HB3 ALA A 166 7.201 -8.704 -13.999 1.00 8.31 H new