USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 856 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 29 SER OG : rot -170:sc= 0 USER MOD Set 1.2: B 52 GLN : amide:sc= -3.01! C(o=-3!,f=-5.3!) USER MOD Set 2.1: A 52 GLN : amide:sc= -3.18! C(o=-3.2!,f=-5.6!) USER MOD Set 2.2: B 29 SER OG : rot -170:sc= 0 USER MOD Set 3.1: A 72 ASN :FLIP amide:sc= -4.32! C(o=-10!,f=-9.5!) USER MOD Set 3.2: B 71 GLN : amide:sc= -5.16! C(o=-9.5!,f=-17!) USER MOD Set 4.1: A 71 GLN : amide:sc= -3.69! C(o=-6.4!,f=-13!) USER MOD Set 4.2: B 72 ASN :FLIP amide:sc= -2.76 F(o=-8.1!,f=-6.4) USER MOD Single : A 20 LYS NZ :NH3+ 144:sc= -0.196 (180deg=-1.31!) USER MOD Single : A 22 SER OG : rot -49:sc= 0.671 USER MOD Single : A 24 HIS : no HD1:sc= -0.0289 X(o=-0.029,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.0632 F(o=-1.2!,f=-0.063) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 96:sc= -0.705 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 166:sc= -1.6 (180deg=-2.55) USER MOD Single : A 57 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0651) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot -11:sc= 0.256 USER MOD Single : A 62 GLN : amide:sc= -1.2 X(o=-1.2,f=-0.83) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.803 F(o=-2.1!,f=-0.8) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -1.07 K(o=-1.1,f=-2!) USER MOD Single : A 78 GLN : amide:sc=-0.00245 X(o=-0.0024,f=0) USER MOD Single : B 20 LYS NZ :NH3+ 139:sc= -0.174 (180deg=-1.34!) USER MOD Single : B 22 SER OG : rot -47:sc= 0.534 USER MOD Single : B 24 HIS : no HD1:sc= -0.0275 X(o=-0.028,f=0) USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN :FLIP amide:sc= -0.0711 F(o=-1!,f=-0.071) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot 97:sc= -0.526 USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 54 MET CE :methyl 167:sc= -1.61 (180deg=-2.64) USER MOD Single : B 57 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0667) USER MOD Single : B 59 HIS : no HD1:sc=-0.00575 X(o=-0.0057,f=-0.0081) USER MOD Single : B 60 THR OG1 : rot -10:sc= 0.231 USER MOD Single : B 62 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.74) USER MOD Single : B 63 GLN :FLIP amide:sc= -0.799 F(o=-2!,f=-0.8) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 GLN : amide:sc= -0.871 K(o=-0.87,f=-2.1!) USER MOD Single : B 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 313 N ILE A 19 124.541 3.870 3.819 1.00 1.72 N ATOM 314 CA ILE A 19 125.962 4.220 4.115 1.00 1.09 C ATOM 315 C ILE A 19 126.292 3.768 5.538 1.00 0.98 C ATOM 316 O ILE A 19 126.894 2.730 5.731 1.00 1.27 O ATOM 317 CB ILE A 19 126.048 5.743 3.982 1.00 0.98 C ATOM 318 CG1 ILE A 19 125.655 6.143 2.547 1.00 1.49 C ATOM 319 CG2 ILE A 19 127.481 6.209 4.287 1.00 1.01 C ATOM 320 CD1 ILE A 19 126.893 6.582 1.753 1.00 1.40 C ATOM 0 HA ILE A 19 126.670 3.736 3.442 1.00 1.09 H new ATOM 0 HB ILE A 19 125.368 6.216 4.690 1.00 0.98 H new ATOM 0 HG12 ILE A 19 125.175 5.302 2.047 1.00 1.49 H new ATOM 0 HG13 ILE A 19 124.928 6.954 2.576 1.00 1.49 H new ATOM 0 HG21 ILE A 19 127.539 7.293 4.192 1.00 1.01 H new ATOM 0 HG22 ILE A 19 127.749 5.919 5.303 1.00 1.01 H new ATOM 0 HG23 ILE A 19 128.172 5.745 3.583 1.00 1.01 H new ATOM 0 HD11 ILE A 19 126.597 6.861 0.742 1.00 1.40 H new ATOM 0 HD12 ILE A 19 127.356 7.438 2.245 1.00 1.40 H new ATOM 0 HD13 ILE A 19 127.607 5.760 1.708 1.00 1.40 H new ATOM 332 N LYS A 20 125.890 4.535 6.530 1.00 1.14 N ATOM 333 CA LYS A 20 126.156 4.151 7.958 1.00 1.56 C ATOM 334 C LYS A 20 126.252 2.629 8.098 1.00 1.34 C ATOM 335 O LYS A 20 127.128 2.111 8.765 1.00 1.27 O ATOM 336 CB LYS A 20 124.958 4.657 8.747 1.00 2.22 C ATOM 337 CG LYS A 20 125.266 6.037 9.334 1.00 2.75 C ATOM 338 CD LYS A 20 125.731 6.985 8.224 1.00 3.61 C ATOM 339 CE LYS A 20 124.519 7.495 7.440 1.00 4.17 C ATOM 340 NZ LYS A 20 123.780 8.364 8.398 1.00 4.71 N ATOM 0 H LYS A 20 125.387 5.414 6.410 1.00 1.14 H new ATOM 0 HA LYS A 20 127.096 4.574 8.313 1.00 1.56 H new ATOM 0 HB2 LYS A 20 124.083 4.715 8.099 1.00 2.22 H new ATOM 0 HB3 LYS A 20 124.717 3.957 9.547 1.00 2.22 H new ATOM 0 HG2 LYS A 20 124.378 6.441 9.821 1.00 2.75 H new ATOM 0 HG3 LYS A 20 126.038 5.952 10.099 1.00 2.75 H new ATOM 0 HD2 LYS A 20 126.277 7.824 8.654 1.00 3.61 H new ATOM 0 HD3 LYS A 20 126.418 6.467 7.554 1.00 3.61 H new ATOM 0 HE2 LYS A 20 124.827 8.054 6.556 1.00 4.17 H new ATOM 0 HE3 LYS A 20 123.897 6.670 7.094 1.00 4.17 H new ATOM 0 HZ1 LYS A 20 123.369 9.172 7.888 1.00 4.71 H new ATOM 0 HZ2 LYS A 20 123.020 7.816 8.849 1.00 4.71 H new ATOM 0 HZ3 LYS A 20 124.435 8.712 9.127 1.00 4.71 H new ATOM 354 N ASP A 21 125.376 1.904 7.452 1.00 1.44 N ATOM 355 CA ASP A 21 125.463 0.418 7.539 1.00 1.43 C ATOM 356 C ASP A 21 126.851 -0.009 7.055 1.00 1.20 C ATOM 357 O ASP A 21 127.683 -0.466 7.823 1.00 1.26 O ATOM 358 CB ASP A 21 124.370 -0.108 6.606 1.00 1.76 C ATOM 359 CG ASP A 21 123.877 -1.463 7.117 1.00 2.21 C ATOM 360 OD1 ASP A 21 124.648 -2.408 7.068 1.00 2.74 O ATOM 361 OD2 ASP A 21 122.739 -1.534 7.550 1.00 2.76 O ATOM 0 H ASP A 21 124.617 2.270 6.877 1.00 1.44 H new ATOM 0 HA ASP A 21 125.325 0.034 8.550 1.00 1.43 H new ATOM 0 HB2 ASP A 21 123.542 0.600 6.562 1.00 1.76 H new ATOM 0 HB3 ASP A 21 124.758 -0.208 5.592 1.00 1.76 H new ATOM 366 N SER A 22 127.125 0.176 5.791 1.00 1.03 N ATOM 367 CA SER A 22 128.473 -0.177 5.275 1.00 0.91 C ATOM 368 C SER A 22 129.514 0.557 6.120 1.00 0.85 C ATOM 369 O SER A 22 130.523 0.003 6.505 1.00 0.89 O ATOM 370 CB SER A 22 128.494 0.317 3.829 1.00 0.82 C ATOM 371 OG SER A 22 128.234 1.715 3.806 1.00 1.64 O ATOM 0 H SER A 22 126.477 0.554 5.100 1.00 1.03 H new ATOM 0 HA SER A 22 128.691 -1.244 5.322 1.00 0.91 H new ATOM 0 HB2 SER A 22 129.463 0.108 3.375 1.00 0.82 H new ATOM 0 HB3 SER A 22 127.745 -0.213 3.240 1.00 0.82 H new ATOM 0 HG SER A 22 127.445 1.910 4.353 1.00 1.64 H new ATOM 377 N PHE A 23 129.252 1.800 6.440 1.00 0.85 N ATOM 378 CA PHE A 23 130.203 2.567 7.296 1.00 0.87 C ATOM 379 C PHE A 23 130.640 1.679 8.451 1.00 0.89 C ATOM 380 O PHE A 23 131.808 1.386 8.612 1.00 0.90 O ATOM 381 CB PHE A 23 129.390 3.737 7.835 1.00 0.95 C ATOM 382 CG PHE A 23 129.619 4.990 7.026 1.00 1.01 C ATOM 383 CD1 PHE A 23 130.325 4.953 5.815 1.00 1.67 C ATOM 384 CD2 PHE A 23 129.111 6.206 7.497 1.00 1.61 C ATOM 385 CE1 PHE A 23 130.517 6.125 5.092 1.00 1.93 C ATOM 386 CE2 PHE A 23 129.302 7.371 6.766 1.00 1.84 C ATOM 387 CZ PHE A 23 130.008 7.329 5.563 1.00 1.66 C ATOM 0 H PHE A 23 128.422 2.314 6.145 1.00 0.85 H new ATOM 0 HA PHE A 23 131.090 2.898 6.755 1.00 0.87 H new ATOM 0 HB2 PHE A 23 128.330 3.482 7.821 1.00 0.95 H new ATOM 0 HB3 PHE A 23 129.660 3.920 8.875 1.00 0.95 H new ATOM 0 HD1 PHE A 23 130.718 4.018 5.445 1.00 1.67 H new ATOM 0 HD2 PHE A 23 128.569 6.238 8.431 1.00 1.61 H new ATOM 0 HE1 PHE A 23 131.064 6.099 4.161 1.00 1.93 H new ATOM 0 HE2 PHE A 23 128.905 8.308 7.128 1.00 1.84 H new ATOM 0 HZ PHE A 23 130.159 8.236 4.996 1.00 1.66 H new ATOM 397 N HIS A 24 129.699 1.238 9.254 1.00 0.97 N ATOM 398 CA HIS A 24 130.058 0.347 10.395 1.00 1.05 C ATOM 399 C HIS A 24 131.107 -0.660 9.923 1.00 0.96 C ATOM 400 O HIS A 24 132.165 -0.799 10.513 1.00 0.98 O ATOM 401 CB HIS A 24 128.756 -0.358 10.775 1.00 1.21 C ATOM 402 CG HIS A 24 127.930 0.553 11.640 1.00 1.53 C ATOM 403 ND1 HIS A 24 126.864 0.089 12.395 1.00 1.98 N ATOM 404 CD2 HIS A 24 128.000 1.903 11.881 1.00 2.05 C ATOM 405 CE1 HIS A 24 126.341 1.143 13.048 1.00 2.27 C ATOM 406 NE2 HIS A 24 126.996 2.274 12.770 1.00 2.31 N ATOM 0 H HIS A 24 128.707 1.457 9.167 1.00 0.97 H new ATOM 0 HA HIS A 24 130.477 0.885 11.245 1.00 1.05 H new ATOM 0 HB2 HIS A 24 128.200 -0.628 9.877 1.00 1.21 H new ATOM 0 HB3 HIS A 24 128.973 -1.285 11.306 1.00 1.21 H new ATOM 0 HD2 HIS A 24 128.725 2.575 11.446 1.00 2.05 H new ATOM 0 HE1 HIS A 24 125.494 1.082 13.716 1.00 2.27 H new ATOM 0 HE2 HIS A 24 126.802 3.208 13.131 1.00 2.31 H new ATOM 414 N SER A 25 130.839 -1.338 8.837 1.00 0.96 N ATOM 415 CA SER A 25 131.846 -2.302 8.311 1.00 0.97 C ATOM 416 C SER A 25 133.167 -1.560 8.118 1.00 0.91 C ATOM 417 O SER A 25 134.226 -2.033 8.484 1.00 0.96 O ATOM 418 CB SER A 25 131.291 -2.773 6.966 1.00 1.11 C ATOM 419 OG SER A 25 131.333 -4.193 6.913 1.00 1.74 O ATOM 0 H SER A 25 129.976 -1.266 8.298 1.00 0.96 H new ATOM 0 HA SER A 25 132.024 -3.145 8.978 1.00 0.97 H new ATOM 0 HB2 SER A 25 130.267 -2.423 6.839 1.00 1.11 H new ATOM 0 HB3 SER A 25 131.876 -2.349 6.150 1.00 1.11 H new ATOM 0 HG SER A 25 130.976 -4.499 6.053 1.00 1.74 H new ATOM 425 N LEU A 26 133.102 -0.383 7.560 1.00 0.89 N ATOM 426 CA LEU A 26 134.337 0.417 7.356 1.00 0.96 C ATOM 427 C LEU A 26 134.910 0.817 8.720 1.00 0.94 C ATOM 428 O LEU A 26 136.111 0.826 8.929 1.00 1.07 O ATOM 429 CB LEU A 26 133.873 1.649 6.580 1.00 1.05 C ATOM 430 CG LEU A 26 134.177 1.464 5.093 1.00 1.30 C ATOM 431 CD1 LEU A 26 132.991 1.960 4.267 1.00 1.74 C ATOM 432 CD2 LEU A 26 135.426 2.267 4.722 1.00 1.37 C ATOM 0 H LEU A 26 132.242 0.059 7.236 1.00 0.89 H new ATOM 0 HA LEU A 26 135.118 -0.125 6.823 1.00 0.96 H new ATOM 0 HB2 LEU A 26 132.804 1.802 6.726 1.00 1.05 H new ATOM 0 HB3 LEU A 26 134.377 2.539 6.956 1.00 1.05 H new ATOM 0 HG LEU A 26 134.350 0.408 4.887 1.00 1.30 H new ATOM 0 HD11 LEU A 26 133.206 1.829 3.206 1.00 1.74 H new ATOM 0 HD12 LEU A 26 132.100 1.389 4.530 1.00 1.74 H new ATOM 0 HD13 LEU A 26 132.819 3.016 4.475 1.00 1.74 H new ATOM 0 HD21 LEU A 26 135.642 2.135 3.662 1.00 1.37 H new ATOM 0 HD22 LEU A 26 135.254 3.323 4.928 1.00 1.37 H new ATOM 0 HD23 LEU A 26 136.273 1.916 5.311 1.00 1.37 H new ATOM 444 N ARG A 27 134.054 1.137 9.657 1.00 0.86 N ATOM 445 CA ARG A 27 134.538 1.523 11.012 1.00 0.94 C ATOM 446 C ARG A 27 135.645 0.564 11.444 1.00 0.93 C ATOM 447 O ARG A 27 136.644 0.963 12.009 1.00 1.10 O ATOM 448 CB ARG A 27 133.317 1.386 11.923 1.00 0.98 C ATOM 449 CG ARG A 27 133.211 2.613 12.830 1.00 1.26 C ATOM 450 CD ARG A 27 132.065 2.411 13.824 1.00 1.39 C ATOM 451 NE ARG A 27 132.250 3.477 14.846 1.00 1.64 N ATOM 452 CZ ARG A 27 132.351 3.160 16.108 1.00 1.63 C ATOM 453 NH1 ARG A 27 131.316 2.688 16.748 1.00 1.82 N ATOM 454 NH2 ARG A 27 133.487 3.313 16.730 1.00 2.26 N ATOM 0 H ARG A 27 133.041 1.147 9.540 1.00 0.86 H new ATOM 0 HA ARG A 27 134.949 2.532 11.044 1.00 0.94 H new ATOM 0 HB2 ARG A 27 132.413 1.286 11.323 1.00 0.98 H new ATOM 0 HB3 ARG A 27 133.401 0.482 12.526 1.00 0.98 H new ATOM 0 HG2 ARG A 27 134.148 2.766 13.365 1.00 1.26 H new ATOM 0 HG3 ARG A 27 133.035 3.507 12.232 1.00 1.26 H new ATOM 0 HD2 ARG A 27 131.096 2.499 13.333 1.00 1.39 H new ATOM 0 HD3 ARG A 27 132.104 1.420 14.276 1.00 1.39 H new ATOM 0 HE ARG A 27 132.298 4.455 14.560 1.00 1.64 H new ATOM 0 HH11 ARG A 27 130.428 2.567 16.262 1.00 1.82 H new ATOM 0 HH12 ARG A 27 131.396 2.440 17.734 1.00 1.82 H new ATOM 0 HH21 ARG A 27 134.297 3.680 16.230 1.00 2.26 H new ATOM 0 HH22 ARG A 27 133.566 3.065 17.716 1.00 2.26 H new ATOM 468 N ASP A 28 135.480 -0.700 11.163 1.00 0.89 N ATOM 469 CA ASP A 28 136.531 -1.689 11.537 1.00 0.93 C ATOM 470 C ASP A 28 137.651 -1.660 10.499 1.00 0.90 C ATOM 471 O ASP A 28 138.780 -2.007 10.786 1.00 1.02 O ATOM 472 CB ASP A 28 135.825 -3.044 11.539 1.00 1.02 C ATOM 473 CG ASP A 28 135.553 -3.473 12.982 1.00 1.53 C ATOM 474 OD1 ASP A 28 134.507 -3.114 13.498 1.00 2.00 O ATOM 475 OD2 ASP A 28 136.396 -4.150 13.547 1.00 2.29 O ATOM 0 H ASP A 28 134.664 -1.090 10.691 1.00 0.89 H new ATOM 0 HA ASP A 28 136.983 -1.476 12.506 1.00 0.93 H new ATOM 0 HB2 ASP A 28 134.889 -2.979 10.985 1.00 1.02 H new ATOM 0 HB3 ASP A 28 136.442 -3.789 11.037 1.00 1.02 H new ATOM 480 N SER A 29 137.363 -1.226 9.297 1.00 0.83 N ATOM 481 CA SER A 29 138.443 -1.161 8.277 1.00 0.86 C ATOM 482 C SER A 29 139.643 -0.469 8.909 1.00 0.88 C ATOM 483 O SER A 29 140.724 -1.022 8.981 1.00 0.94 O ATOM 484 CB SER A 29 137.880 -0.335 7.122 1.00 0.90 C ATOM 485 OG SER A 29 138.091 -1.033 5.901 1.00 1.44 O ATOM 0 H SER A 29 136.441 -0.920 8.985 1.00 0.83 H new ATOM 0 HA SER A 29 138.759 -2.142 7.922 1.00 0.86 H new ATOM 0 HB2 SER A 29 136.816 -0.155 7.273 1.00 0.90 H new ATOM 0 HB3 SER A 29 138.366 0.640 7.086 1.00 0.90 H new ATOM 0 HG SER A 29 137.878 -0.445 5.147 1.00 1.44 H new ATOM 491 N VAL A 30 139.458 0.728 9.409 1.00 0.87 N ATOM 492 CA VAL A 30 140.585 1.419 10.072 1.00 0.94 C ATOM 493 C VAL A 30 140.447 1.223 11.582 1.00 1.03 C ATOM 494 O VAL A 30 139.534 1.737 12.191 1.00 1.09 O ATOM 495 CB VAL A 30 140.417 2.885 9.690 1.00 0.92 C ATOM 496 CG1 VAL A 30 141.670 3.669 10.083 1.00 1.30 C ATOM 497 CG2 VAL A 30 140.195 2.991 8.180 1.00 0.94 C ATOM 0 H VAL A 30 138.580 1.246 9.383 1.00 0.87 H new ATOM 0 HA VAL A 30 141.566 1.046 9.778 1.00 0.94 H new ATOM 0 HB VAL A 30 139.557 3.301 10.215 1.00 0.92 H new ATOM 0 HG11 VAL A 30 141.545 4.716 9.808 1.00 1.30 H new ATOM 0 HG12 VAL A 30 141.824 3.592 11.159 1.00 1.30 H new ATOM 0 HG13 VAL A 30 142.535 3.258 9.562 1.00 1.30 H new ATOM 0 HG21 VAL A 30 140.074 4.038 7.903 1.00 0.94 H new ATOM 0 HG22 VAL A 30 141.055 2.573 7.656 1.00 0.94 H new ATOM 0 HG23 VAL A 30 139.298 2.437 7.904 1.00 0.94 H new ATOM 667 N GLN A 42 134.691 9.866 8.733 1.00 1.30 N ATOM 668 CA GLN A 42 136.028 9.568 9.309 1.00 1.16 C ATOM 669 C GLN A 42 136.646 8.338 8.634 1.00 1.10 C ATOM 670 O GLN A 42 137.838 8.299 8.371 1.00 1.37 O ATOM 671 CB GLN A 42 135.768 9.311 10.784 1.00 1.29 C ATOM 672 CG GLN A 42 134.649 8.289 10.949 1.00 2.01 C ATOM 673 CD GLN A 42 134.563 7.898 12.419 1.00 2.19 C ATOM 674 OE1 GLN A 42 135.665 7.744 13.097 1.00 2.84 O flip ATOM 675 NE2 GLN A 42 133.486 7.730 12.956 1.00 2.21 N flip ATOM 0 HA GLN A 42 136.735 10.384 9.158 1.00 1.16 H new ATOM 0 HB2 GLN A 42 136.677 8.947 11.263 1.00 1.29 H new ATOM 0 HB3 GLN A 42 135.496 10.242 11.281 1.00 1.29 H new ATOM 0 HG2 GLN A 42 133.701 8.708 10.613 1.00 2.01 H new ATOM 0 HG3 GLN A 42 134.845 7.410 10.334 1.00 2.01 H new ATOM 0 HE21 GLN A 42 132.625 7.851 12.422 1.00 2.21 H new ATOM 0 HE22 GLN A 42 133.443 7.468 13.941 1.00 2.21 H new ATOM 684 N ILE A 43 135.858 7.341 8.318 1.00 0.94 N ATOM 685 CA ILE A 43 136.451 6.152 7.639 1.00 1.02 C ATOM 686 C ILE A 43 136.727 6.523 6.190 1.00 0.95 C ATOM 687 O ILE A 43 137.609 5.990 5.552 1.00 1.01 O ATOM 688 CB ILE A 43 135.428 5.009 7.715 1.00 1.18 C ATOM 689 CG1 ILE A 43 134.528 5.153 8.946 1.00 2.22 C ATOM 690 CG2 ILE A 43 136.187 3.686 7.813 1.00 1.33 C ATOM 691 CD1 ILE A 43 133.206 5.810 8.541 1.00 2.95 C ATOM 0 H ILE A 43 134.854 7.298 8.496 1.00 0.94 H new ATOM 0 HA ILE A 43 137.382 5.839 8.112 1.00 1.02 H new ATOM 0 HB ILE A 43 134.801 5.039 6.824 1.00 1.18 H new ATOM 0 HG12 ILE A 43 134.339 4.174 9.388 1.00 2.22 H new ATOM 0 HG13 ILE A 43 135.027 5.755 9.706 1.00 2.22 H new ATOM 0 HG21 ILE A 43 135.476 2.862 7.868 1.00 1.33 H new ATOM 0 HG22 ILE A 43 136.818 3.563 6.933 1.00 1.33 H new ATOM 0 HG23 ILE A 43 136.809 3.689 8.708 1.00 1.33 H new ATOM 0 HD11 ILE A 43 132.567 5.912 9.418 1.00 2.95 H new ATOM 0 HD12 ILE A 43 133.404 6.796 8.120 1.00 2.95 H new ATOM 0 HD13 ILE A 43 132.705 5.191 7.797 1.00 2.95 H new ATOM 703 N LEU A 44 135.983 7.462 5.679 1.00 0.95 N ATOM 704 CA LEU A 44 136.196 7.910 4.281 1.00 1.07 C ATOM 705 C LEU A 44 137.517 8.670 4.202 1.00 1.01 C ATOM 706 O LEU A 44 138.311 8.471 3.303 1.00 0.96 O ATOM 707 CB LEU A 44 135.009 8.823 3.986 1.00 1.43 C ATOM 708 CG LEU A 44 133.719 8.073 4.320 1.00 0.94 C ATOM 709 CD1 LEU A 44 132.513 8.855 3.803 1.00 1.42 C ATOM 710 CD2 LEU A 44 133.751 6.696 3.659 1.00 1.24 C ATOM 0 H LEU A 44 135.231 7.940 6.176 1.00 0.95 H new ATOM 0 HA LEU A 44 136.253 7.092 3.563 1.00 1.07 H new ATOM 0 HB2 LEU A 44 135.079 9.736 4.577 1.00 1.43 H new ATOM 0 HB3 LEU A 44 135.012 9.121 2.937 1.00 1.43 H new ATOM 0 HG LEU A 44 133.637 7.963 5.401 1.00 0.94 H new ATOM 0 HD11 LEU A 44 131.598 8.314 4.045 1.00 1.42 H new ATOM 0 HD12 LEU A 44 132.488 9.838 4.273 1.00 1.42 H new ATOM 0 HD13 LEU A 44 132.591 8.971 2.722 1.00 1.42 H new ATOM 0 HD21 LEU A 44 132.833 6.158 3.895 1.00 1.24 H new ATOM 0 HD22 LEU A 44 133.836 6.813 2.579 1.00 1.24 H new ATOM 0 HD23 LEU A 44 134.607 6.133 4.031 1.00 1.24 H new ATOM 722 N ASP A 45 137.772 9.521 5.158 1.00 1.09 N ATOM 723 CA ASP A 45 139.057 10.267 5.156 1.00 1.15 C ATOM 724 C ASP A 45 140.199 9.261 5.042 1.00 1.00 C ATOM 725 O ASP A 45 141.098 9.407 4.234 1.00 0.93 O ATOM 726 CB ASP A 45 139.100 10.990 6.503 1.00 1.37 C ATOM 727 CG ASP A 45 140.274 11.971 6.520 1.00 1.59 C ATOM 728 OD1 ASP A 45 140.103 13.077 6.035 1.00 2.29 O ATOM 729 OD2 ASP A 45 141.323 11.599 7.020 1.00 1.77 O ATOM 0 H ASP A 45 137.147 9.730 5.937 1.00 1.09 H new ATOM 0 HA ASP A 45 139.148 10.972 4.329 1.00 1.15 H new ATOM 0 HB2 ASP A 45 138.164 11.523 6.671 1.00 1.37 H new ATOM 0 HB3 ASP A 45 139.205 10.267 7.312 1.00 1.37 H new ATOM 734 N LYS A 46 140.155 8.221 5.832 1.00 1.02 N ATOM 735 CA LYS A 46 141.225 7.189 5.751 1.00 0.96 C ATOM 736 C LYS A 46 140.949 6.255 4.567 1.00 0.84 C ATOM 737 O LYS A 46 141.850 5.855 3.859 1.00 0.89 O ATOM 738 CB LYS A 46 141.151 6.429 7.074 1.00 1.02 C ATOM 739 CG LYS A 46 142.567 6.198 7.608 1.00 1.54 C ATOM 740 CD LYS A 46 142.786 7.045 8.863 1.00 1.67 C ATOM 741 CE LYS A 46 144.281 7.101 9.188 1.00 2.59 C ATOM 742 NZ LYS A 46 144.397 6.534 10.560 1.00 2.66 N ATOM 0 H LYS A 46 139.428 8.044 6.525 1.00 1.02 H new ATOM 0 HA LYS A 46 142.214 7.621 5.596 1.00 0.96 H new ATOM 0 HB2 LYS A 46 140.565 6.995 7.799 1.00 1.02 H new ATOM 0 HB3 LYS A 46 140.645 5.475 6.930 1.00 1.02 H new ATOM 0 HG2 LYS A 46 142.712 5.143 7.839 1.00 1.54 H new ATOM 0 HG3 LYS A 46 143.301 6.461 6.847 1.00 1.54 H new ATOM 0 HD2 LYS A 46 142.399 8.052 8.707 1.00 1.67 H new ATOM 0 HD3 LYS A 46 142.236 6.619 9.702 1.00 1.67 H new ATOM 0 HE2 LYS A 46 144.863 6.522 8.471 1.00 2.59 H new ATOM 0 HE3 LYS A 46 144.655 8.124 9.150 1.00 2.59 H new ATOM 0 HZ1 LYS A 46 145.394 6.539 10.854 1.00 2.66 H new ATOM 0 HZ2 LYS A 46 143.838 7.110 11.222 1.00 2.66 H new ATOM 0 HZ3 LYS A 46 144.039 5.557 10.563 1.00 2.66 H new ATOM 756 N ALA A 47 139.707 5.915 4.338 1.00 0.73 N ATOM 757 CA ALA A 47 139.385 5.017 3.187 1.00 0.69 C ATOM 758 C ALA A 47 139.956 5.614 1.900 1.00 0.70 C ATOM 759 O ALA A 47 140.493 4.917 1.062 1.00 0.70 O ATOM 760 CB ALA A 47 137.850 4.962 3.118 1.00 0.69 C ATOM 0 H ALA A 47 138.906 6.217 4.893 1.00 0.73 H new ATOM 0 HA ALA A 47 139.812 4.021 3.308 1.00 0.69 H new ATOM 0 HB1 ALA A 47 137.546 4.318 2.293 1.00 0.69 H new ATOM 0 HB2 ALA A 47 137.458 4.563 4.053 1.00 0.69 H new ATOM 0 HB3 ALA A 47 137.457 5.966 2.959 1.00 0.69 H new ATOM 766 N THR A 48 139.847 6.906 1.741 1.00 0.83 N ATOM 767 CA THR A 48 140.386 7.553 0.512 1.00 0.92 C ATOM 768 C THR A 48 141.915 7.537 0.540 1.00 0.83 C ATOM 769 O THR A 48 142.560 7.306 -0.464 1.00 0.79 O ATOM 770 CB THR A 48 139.864 8.992 0.554 1.00 1.17 C ATOM 771 OG1 THR A 48 138.524 9.002 1.032 1.00 1.76 O ATOM 772 CG2 THR A 48 139.910 9.592 -0.851 1.00 1.36 C ATOM 0 H THR A 48 139.408 7.540 2.409 1.00 0.83 H new ATOM 0 HA THR A 48 140.076 7.037 -0.396 1.00 0.92 H new ATOM 0 HB THR A 48 140.489 9.584 1.223 1.00 1.17 H new ATOM 0 HG1 THR A 48 138.521 9.186 1.995 1.00 1.76 H new ATOM 0 HG21 THR A 48 139.538 10.616 -0.822 1.00 1.36 H new ATOM 0 HG22 THR A 48 140.938 9.589 -1.214 1.00 1.36 H new ATOM 0 HG23 THR A 48 139.287 8.999 -1.520 1.00 1.36 H new ATOM 780 N GLU A 49 142.504 7.776 1.681 1.00 0.88 N ATOM 781 CA GLU A 49 143.992 7.766 1.758 1.00 0.90 C ATOM 782 C GLU A 49 144.510 6.336 1.550 1.00 0.77 C ATOM 783 O GLU A 49 145.542 6.120 0.949 1.00 0.83 O ATOM 784 CB GLU A 49 144.329 8.307 3.161 1.00 1.04 C ATOM 785 CG GLU A 49 144.585 7.160 4.148 1.00 1.34 C ATOM 786 CD GLU A 49 145.997 6.611 3.937 1.00 1.68 C ATOM 787 OE1 GLU A 49 146.739 7.215 3.180 1.00 2.26 O ATOM 788 OE2 GLU A 49 146.313 5.597 4.537 1.00 2.01 O ATOM 0 H GLU A 49 142.022 7.976 2.557 1.00 0.88 H new ATOM 0 HA GLU A 49 144.463 8.377 0.988 1.00 0.90 H new ATOM 0 HB2 GLU A 49 145.210 8.947 3.106 1.00 1.04 H new ATOM 0 HB3 GLU A 49 143.508 8.926 3.523 1.00 1.04 H new ATOM 0 HG2 GLU A 49 144.471 7.515 5.172 1.00 1.34 H new ATOM 0 HG3 GLU A 49 143.850 6.369 4.001 1.00 1.34 H new ATOM 795 N TYR A 50 143.793 5.361 2.039 1.00 0.67 N ATOM 796 CA TYR A 50 144.239 3.948 1.867 1.00 0.64 C ATOM 797 C TYR A 50 144.223 3.567 0.384 1.00 0.62 C ATOM 798 O TYR A 50 145.256 3.413 -0.237 1.00 0.64 O ATOM 799 CB TYR A 50 143.219 3.115 2.644 1.00 0.65 C ATOM 800 CG TYR A 50 143.747 2.830 4.030 1.00 0.93 C ATOM 801 CD1 TYR A 50 144.975 2.177 4.191 1.00 1.72 C ATOM 802 CD2 TYR A 50 143.008 3.218 5.154 1.00 1.38 C ATOM 803 CE1 TYR A 50 145.463 1.913 5.476 1.00 2.07 C ATOM 804 CE2 TYR A 50 143.497 2.954 6.439 1.00 1.72 C ATOM 805 CZ TYR A 50 144.724 2.302 6.600 1.00 1.79 C ATOM 806 OH TYR A 50 145.206 2.042 7.867 1.00 2.26 O ATOM 0 H TYR A 50 142.918 5.481 2.550 1.00 0.67 H new ATOM 0 HA TYR A 50 145.256 3.788 2.226 1.00 0.64 H new ATOM 0 HB2 TYR A 50 142.271 3.649 2.708 1.00 0.65 H new ATOM 0 HB3 TYR A 50 143.023 2.180 2.119 1.00 0.65 H new ATOM 0 HD1 TYR A 50 145.545 1.877 3.324 1.00 1.72 H new ATOM 0 HD2 TYR A 50 142.060 3.721 5.030 1.00 1.38 H new ATOM 0 HE1 TYR A 50 146.410 1.409 5.601 1.00 2.07 H new ATOM 0 HE2 TYR A 50 142.927 3.254 7.306 1.00 1.72 H new ATOM 0 HH TYR A 50 144.571 2.378 8.534 1.00 2.26 H new ATOM 816 N ILE A 51 143.057 3.414 -0.186 1.00 0.65 N ATOM 817 CA ILE A 51 142.968 3.041 -1.629 1.00 0.67 C ATOM 818 C ILE A 51 144.024 3.794 -2.444 1.00 0.66 C ATOM 819 O ILE A 51 144.609 3.258 -3.365 1.00 0.65 O ATOM 820 CB ILE A 51 141.561 3.457 -2.058 1.00 0.76 C ATOM 821 CG1 ILE A 51 140.545 2.455 -1.503 1.00 0.88 C ATOM 822 CG2 ILE A 51 141.475 3.475 -3.585 1.00 0.82 C ATOM 823 CD1 ILE A 51 139.137 3.046 -1.596 1.00 0.73 C ATOM 0 H ILE A 51 142.161 3.531 0.286 1.00 0.65 H new ATOM 0 HA ILE A 51 143.148 1.978 -1.790 1.00 0.67 H new ATOM 0 HB ILE A 51 141.343 4.452 -1.671 1.00 0.76 H new ATOM 0 HG12 ILE A 51 140.596 1.522 -2.064 1.00 0.88 H new ATOM 0 HG13 ILE A 51 140.783 2.217 -0.466 1.00 0.88 H new ATOM 0 HG21 ILE A 51 140.471 3.772 -3.889 1.00 0.82 H new ATOM 0 HG22 ILE A 51 142.200 4.186 -3.982 1.00 0.82 H new ATOM 0 HG23 ILE A 51 141.693 2.480 -3.973 1.00 0.82 H new ATOM 0 HD11 ILE A 51 138.415 2.331 -1.200 1.00 0.73 H new ATOM 0 HD12 ILE A 51 139.090 3.968 -1.016 1.00 0.73 H new ATOM 0 HD13 ILE A 51 138.901 3.261 -2.638 1.00 0.73 H new ATOM 835 N GLN A 52 144.275 5.031 -2.111 1.00 0.77 N ATOM 836 CA GLN A 52 145.296 5.813 -2.867 1.00 0.82 C ATOM 837 C GLN A 52 146.704 5.403 -2.429 1.00 0.73 C ATOM 838 O GLN A 52 147.403 4.701 -3.133 1.00 0.71 O ATOM 839 CB GLN A 52 145.026 7.275 -2.506 1.00 1.02 C ATOM 840 CG GLN A 52 143.629 7.670 -2.988 1.00 1.19 C ATOM 841 CD GLN A 52 143.563 7.555 -4.512 1.00 1.68 C ATOM 842 OE1 GLN A 52 144.552 7.262 -5.154 1.00 2.44 O ATOM 843 NE2 GLN A 52 142.431 7.774 -5.123 1.00 2.11 N ATOM 0 H GLN A 52 143.819 5.534 -1.350 1.00 0.77 H new ATOM 0 HA GLN A 52 145.234 5.642 -3.942 1.00 0.82 H new ATOM 0 HB2 GLN A 52 145.103 7.415 -1.428 1.00 1.02 H new ATOM 0 HB3 GLN A 52 145.776 7.919 -2.965 1.00 1.02 H new ATOM 0 HG2 GLN A 52 142.879 7.024 -2.531 1.00 1.19 H new ATOM 0 HG3 GLN A 52 143.401 8.690 -2.680 1.00 1.19 H new ATOM 0 HE21 GLN A 52 141.600 8.020 -4.585 1.00 2.11 H new ATOM 0 HE22 GLN A 52 142.377 7.699 -6.139 1.00 2.11 H new ATOM 852 N TYR A 53 147.125 5.831 -1.270 1.00 0.75 N ATOM 853 CA TYR A 53 148.486 5.461 -0.789 1.00 0.76 C ATOM 854 C TYR A 53 148.638 3.932 -0.798 1.00 0.68 C ATOM 855 O TYR A 53 149.550 3.395 -1.394 1.00 0.79 O ATOM 856 CB TYR A 53 148.574 6.057 0.631 1.00 0.87 C ATOM 857 CG TYR A 53 149.031 5.021 1.638 1.00 0.96 C ATOM 858 CD1 TYR A 53 150.398 4.817 1.863 1.00 1.50 C ATOM 859 CD2 TYR A 53 148.086 4.270 2.347 1.00 1.62 C ATOM 860 CE1 TYR A 53 150.819 3.862 2.795 1.00 1.56 C ATOM 861 CE2 TYR A 53 148.507 3.315 3.279 1.00 1.73 C ATOM 862 CZ TYR A 53 149.873 3.111 3.504 1.00 1.22 C ATOM 863 OH TYR A 53 150.288 2.170 4.423 1.00 1.38 O ATOM 0 H TYR A 53 146.586 6.420 -0.636 1.00 0.75 H new ATOM 0 HA TYR A 53 149.290 5.844 -1.418 1.00 0.76 H new ATOM 0 HB2 TYR A 53 149.267 6.898 0.632 1.00 0.87 H new ATOM 0 HB3 TYR A 53 147.599 6.447 0.925 1.00 0.87 H new ATOM 0 HD1 TYR A 53 151.127 5.397 1.317 1.00 1.50 H new ATOM 0 HD2 TYR A 53 147.032 4.428 2.175 1.00 1.62 H new ATOM 0 HE1 TYR A 53 151.873 3.704 2.968 1.00 1.56 H new ATOM 0 HE2 TYR A 53 147.777 2.735 3.825 1.00 1.73 H new ATOM 0 HH TYR A 53 149.506 1.739 4.826 1.00 1.38 H new ATOM 873 N MET A 54 147.749 3.228 -0.147 1.00 0.59 N ATOM 874 CA MET A 54 147.852 1.740 -0.133 1.00 0.60 C ATOM 875 C MET A 54 148.139 1.232 -1.547 1.00 0.56 C ATOM 876 O MET A 54 149.013 0.414 -1.758 1.00 0.57 O ATOM 877 CB MET A 54 146.488 1.245 0.351 1.00 0.68 C ATOM 878 CG MET A 54 146.652 -0.111 1.039 1.00 0.77 C ATOM 879 SD MET A 54 145.190 -0.458 2.048 1.00 1.40 S ATOM 880 CE MET A 54 146.054 -0.719 3.616 1.00 0.80 C ATOM 0 H MET A 54 146.961 3.616 0.372 1.00 0.59 H new ATOM 0 HA MET A 54 148.657 1.384 0.510 1.00 0.60 H new ATOM 0 HB2 MET A 54 146.052 1.966 1.043 1.00 0.68 H new ATOM 0 HB3 MET A 54 145.802 1.157 -0.491 1.00 0.68 H new ATOM 0 HG2 MET A 54 146.787 -0.895 0.294 1.00 0.77 H new ATOM 0 HG3 MET A 54 147.545 -0.108 1.663 1.00 0.77 H new ATOM 0 HE1 MET A 54 145.335 -0.704 4.435 1.00 0.80 H new ATOM 0 HE2 MET A 54 146.561 -1.684 3.596 1.00 0.80 H new ATOM 0 HE3 MET A 54 146.788 0.073 3.763 1.00 0.80 H new ATOM 890 N ARG A 55 147.417 1.720 -2.519 1.00 0.56 N ATOM 891 CA ARG A 55 147.659 1.275 -3.921 1.00 0.56 C ATOM 892 C ARG A 55 149.070 1.680 -4.351 1.00 0.58 C ATOM 893 O ARG A 55 149.804 0.900 -4.924 1.00 0.58 O ATOM 894 CB ARG A 55 146.610 2.008 -4.758 1.00 0.60 C ATOM 895 CG ARG A 55 146.815 1.678 -6.238 1.00 1.27 C ATOM 896 CD ARG A 55 147.310 2.924 -6.976 1.00 1.63 C ATOM 897 NE ARG A 55 146.170 3.339 -7.840 1.00 1.73 N ATOM 898 CZ ARG A 55 146.265 4.414 -8.573 1.00 2.04 C ATOM 899 NH1 ARG A 55 146.774 5.505 -8.070 1.00 2.56 N ATOM 900 NH2 ARG A 55 145.849 4.398 -9.811 1.00 2.60 N ATOM 0 H ARG A 55 146.671 2.406 -2.403 1.00 0.56 H new ATOM 0 HA ARG A 55 147.582 0.194 -4.037 1.00 0.56 H new ATOM 0 HB2 ARG A 55 145.609 1.713 -4.444 1.00 0.60 H new ATOM 0 HB3 ARG A 55 146.690 3.084 -4.600 1.00 0.60 H new ATOM 0 HG2 ARG A 55 147.537 0.869 -6.344 1.00 1.27 H new ATOM 0 HG3 ARG A 55 145.880 1.330 -6.677 1.00 1.27 H new ATOM 0 HD2 ARG A 55 147.583 3.714 -6.277 1.00 1.63 H new ATOM 0 HD3 ARG A 55 148.196 2.704 -7.571 1.00 1.63 H new ATOM 0 HE ARG A 55 145.315 2.783 -7.859 1.00 1.73 H new ATOM 0 HH11 ARG A 55 147.098 5.518 -7.103 1.00 2.56 H new ATOM 0 HH12 ARG A 55 146.848 6.345 -8.644 1.00 2.56 H new ATOM 0 HH21 ARG A 55 145.450 3.545 -10.204 1.00 2.60 H new ATOM 0 HH22 ARG A 55 145.923 5.238 -10.385 1.00 2.60 H new ATOM 914 N ARG A 56 149.457 2.894 -4.068 1.00 0.66 N ATOM 915 CA ARG A 56 150.823 3.348 -4.451 1.00 0.71 C ATOM 916 C ARG A 56 151.864 2.365 -3.911 1.00 0.68 C ATOM 917 O ARG A 56 152.774 1.963 -4.607 1.00 0.67 O ATOM 918 CB ARG A 56 150.984 4.718 -3.789 1.00 0.83 C ATOM 919 CG ARG A 56 151.428 5.743 -4.835 1.00 1.14 C ATOM 920 CD ARG A 56 152.956 5.807 -4.872 1.00 1.31 C ATOM 921 NE ARG A 56 153.276 6.669 -6.043 1.00 1.33 N ATOM 922 CZ ARG A 56 154.403 7.324 -6.083 1.00 1.82 C ATOM 923 NH1 ARG A 56 155.494 6.774 -5.625 1.00 2.36 N ATOM 924 NH2 ARG A 56 154.441 8.530 -6.580 1.00 2.46 N ATOM 0 H ARG A 56 148.886 3.590 -3.588 1.00 0.66 H new ATOM 0 HA ARG A 56 150.959 3.402 -5.531 1.00 0.71 H new ATOM 0 HB2 ARG A 56 150.042 5.028 -3.338 1.00 0.83 H new ATOM 0 HB3 ARG A 56 151.719 4.661 -2.986 1.00 0.83 H new ATOM 0 HG2 ARG A 56 151.041 5.468 -5.816 1.00 1.14 H new ATOM 0 HG3 ARG A 56 151.018 6.724 -4.595 1.00 1.14 H new ATOM 0 HD2 ARG A 56 153.356 6.229 -3.950 1.00 1.31 H new ATOM 0 HD3 ARG A 56 153.390 4.813 -4.983 1.00 1.31 H new ATOM 0 HE ARG A 56 152.613 6.747 -6.814 1.00 1.33 H new ATOM 0 HH11 ARG A 56 155.465 5.832 -5.236 1.00 2.36 H new ATOM 0 HH12 ARG A 56 156.375 7.286 -5.656 1.00 2.36 H new ATOM 0 HH21 ARG A 56 153.589 8.961 -6.938 1.00 2.46 H new ATOM 0 HH22 ARG A 56 155.323 9.041 -6.611 1.00 2.46 H new ATOM 938 N LYS A 57 151.730 1.971 -2.673 1.00 0.72 N ATOM 939 CA LYS A 57 152.706 1.009 -2.087 1.00 0.75 C ATOM 940 C LYS A 57 152.756 -0.264 -2.935 1.00 0.71 C ATOM 941 O LYS A 57 153.807 -0.696 -3.360 1.00 0.71 O ATOM 942 CB LYS A 57 152.169 0.702 -0.688 1.00 0.83 C ATOM 943 CG LYS A 57 152.814 1.648 0.327 1.00 1.10 C ATOM 944 CD LYS A 57 154.234 1.171 0.637 1.00 1.27 C ATOM 945 CE LYS A 57 155.174 2.377 0.704 1.00 1.77 C ATOM 946 NZ LYS A 57 154.863 3.033 2.004 1.00 2.36 N ATOM 0 H LYS A 57 150.987 2.274 -2.043 1.00 0.72 H new ATOM 0 HA LYS A 57 153.718 1.412 -2.053 1.00 0.75 H new ATOM 0 HB2 LYS A 57 151.085 0.817 -0.670 1.00 0.83 H new ATOM 0 HB3 LYS A 57 152.384 -0.333 -0.424 1.00 0.83 H new ATOM 0 HG2 LYS A 57 152.838 2.663 -0.070 1.00 1.10 H new ATOM 0 HG3 LYS A 57 152.221 1.677 1.241 1.00 1.10 H new ATOM 0 HD2 LYS A 57 154.249 0.631 1.584 1.00 1.27 H new ATOM 0 HD3 LYS A 57 154.571 0.476 -0.132 1.00 1.27 H new ATOM 0 HE2 LYS A 57 156.218 2.067 0.658 1.00 1.77 H new ATOM 0 HE3 LYS A 57 155.005 3.056 -0.132 1.00 1.77 H new ATOM 0 HZ1 LYS A 57 154.623 4.032 1.840 1.00 2.36 H new ATOM 0 HZ2 LYS A 57 154.057 2.552 2.451 1.00 2.36 H new ATOM 0 HZ3 LYS A 57 155.692 2.974 2.630 1.00 2.36 H new ATOM 960 N VAL A 58 151.625 -0.864 -3.187 1.00 0.72 N ATOM 961 CA VAL A 58 151.609 -2.106 -4.011 1.00 0.73 C ATOM 962 C VAL A 58 152.456 -1.909 -5.270 1.00 0.68 C ATOM 963 O VAL A 58 153.403 -2.630 -5.512 1.00 0.68 O ATOM 964 CB VAL A 58 150.141 -2.317 -4.379 1.00 0.79 C ATOM 965 CG1 VAL A 58 150.006 -3.571 -5.243 1.00 1.40 C ATOM 966 CG2 VAL A 58 149.315 -2.486 -3.101 1.00 1.36 C ATOM 0 H VAL A 58 150.712 -0.549 -2.858 1.00 0.72 H new ATOM 0 HA VAL A 58 152.022 -2.963 -3.479 1.00 0.73 H new ATOM 0 HB VAL A 58 149.778 -1.453 -4.935 1.00 0.79 H new ATOM 0 HG11 VAL A 58 148.959 -3.721 -5.505 1.00 1.40 H new ATOM 0 HG12 VAL A 58 150.594 -3.451 -6.153 1.00 1.40 H new ATOM 0 HG13 VAL A 58 150.369 -4.436 -4.688 1.00 1.40 H new ATOM 0 HG21 VAL A 58 148.267 -2.637 -3.362 1.00 1.36 H new ATOM 0 HG22 VAL A 58 149.678 -3.350 -2.545 1.00 1.36 H new ATOM 0 HG23 VAL A 58 149.410 -1.592 -2.485 1.00 1.36 H new ATOM 976 N HIS A 59 152.126 -0.934 -6.072 1.00 0.69 N ATOM 977 CA HIS A 59 152.917 -0.690 -7.312 1.00 0.67 C ATOM 978 C HIS A 59 154.413 -0.704 -6.991 1.00 0.61 C ATOM 979 O HIS A 59 155.149 -1.554 -7.452 1.00 0.61 O ATOM 980 CB HIS A 59 152.484 0.695 -7.793 1.00 0.71 C ATOM 981 CG HIS A 59 152.402 0.702 -9.295 1.00 1.06 C ATOM 982 ND1 HIS A 59 153.244 1.477 -10.077 1.00 1.76 N ATOM 983 CD2 HIS A 59 151.585 0.033 -10.174 1.00 1.80 C ATOM 984 CE1 HIS A 59 152.919 1.259 -11.364 1.00 2.09 C ATOM 985 NE2 HIS A 59 151.914 0.387 -11.480 1.00 2.12 N ATOM 0 H HIS A 59 151.344 -0.296 -5.923 1.00 0.69 H new ATOM 0 HA HIS A 59 152.746 -1.454 -8.070 1.00 0.67 H new ATOM 0 HB2 HIS A 59 151.516 0.954 -7.364 1.00 0.71 H new ATOM 0 HB3 HIS A 59 153.195 1.448 -7.454 1.00 0.71 H new ATOM 0 HD2 HIS A 59 150.806 -0.661 -9.895 1.00 1.80 H new ATOM 0 HE1 HIS A 59 153.411 1.732 -12.201 1.00 2.09 H new ATOM 0 HE2 HIS A 59 151.481 0.052 -12.340 1.00 2.12 H new ATOM 993 N THR A 60 154.870 0.229 -6.200 1.00 0.59 N ATOM 994 CA THR A 60 156.318 0.261 -5.849 1.00 0.56 C ATOM 995 C THR A 60 156.726 -1.061 -5.197 1.00 0.52 C ATOM 996 O THR A 60 157.805 -1.571 -5.425 1.00 0.51 O ATOM 997 CB THR A 60 156.460 1.415 -4.857 1.00 0.59 C ATOM 998 OG1 THR A 60 155.508 1.260 -3.814 1.00 1.35 O ATOM 999 CG2 THR A 60 156.219 2.741 -5.578 1.00 1.29 C ATOM 0 H THR A 60 154.305 0.968 -5.783 1.00 0.59 H new ATOM 0 HA THR A 60 156.955 0.397 -6.723 1.00 0.56 H new ATOM 0 HB THR A 60 157.465 1.411 -4.435 1.00 0.59 H new ATOM 0 HG1 THR A 60 154.872 0.554 -4.054 1.00 1.35 H new ATOM 0 HG21 THR A 60 156.320 3.564 -4.870 1.00 1.29 H new ATOM 0 HG22 THR A 60 156.950 2.858 -6.378 1.00 1.29 H new ATOM 0 HG23 THR A 60 155.214 2.748 -6.001 1.00 1.29 H new ATOM 1007 N LEU A 61 155.867 -1.622 -4.391 1.00 0.55 N ATOM 1008 CA LEU A 61 156.203 -2.914 -3.729 1.00 0.54 C ATOM 1009 C LEU A 61 156.482 -3.982 -4.787 1.00 0.53 C ATOM 1010 O LEU A 61 157.618 -4.307 -5.067 1.00 0.51 O ATOM 1011 CB LEU A 61 154.962 -3.278 -2.912 1.00 0.63 C ATOM 1012 CG LEU A 61 155.118 -2.754 -1.483 1.00 0.67 C ATOM 1013 CD1 LEU A 61 153.765 -2.801 -0.772 1.00 0.76 C ATOM 1014 CD2 LEU A 61 156.121 -3.628 -0.727 1.00 0.80 C ATOM 0 H LEU A 61 154.948 -1.242 -4.162 1.00 0.55 H new ATOM 0 HA LEU A 61 157.092 -2.842 -3.102 1.00 0.54 H new ATOM 0 HB2 LEU A 61 154.072 -2.849 -3.373 1.00 0.63 H new ATOM 0 HB3 LEU A 61 154.825 -4.359 -2.901 1.00 0.63 H new ATOM 0 HG LEU A 61 155.479 -1.726 -1.510 1.00 0.67 H new ATOM 0 HD11 LEU A 61 153.876 -2.428 0.246 1.00 0.76 H new ATOM 0 HD12 LEU A 61 153.049 -2.180 -1.310 1.00 0.76 H new ATOM 0 HD13 LEU A 61 153.404 -3.829 -0.744 1.00 0.76 H new ATOM 0 HD21 LEU A 61 156.233 -3.256 0.291 1.00 0.80 H new ATOM 0 HD22 LEU A 61 155.760 -4.656 -0.700 1.00 0.80 H new ATOM 0 HD23 LEU A 61 157.086 -3.596 -1.233 1.00 0.80 H new ATOM 1026 N GLN A 62 155.455 -4.528 -5.381 1.00 0.57 N ATOM 1027 CA GLN A 62 155.668 -5.573 -6.423 1.00 0.61 C ATOM 1028 C GLN A 62 156.816 -5.168 -7.347 1.00 0.59 C ATOM 1029 O GLN A 62 157.485 -6.002 -7.924 1.00 0.64 O ATOM 1030 CB GLN A 62 154.350 -5.642 -7.196 1.00 0.68 C ATOM 1031 CG GLN A 62 154.159 -7.055 -7.753 1.00 0.76 C ATOM 1032 CD GLN A 62 152.752 -7.551 -7.413 1.00 1.04 C ATOM 1033 OE1 GLN A 62 151.800 -6.799 -7.468 1.00 1.85 O ATOM 1034 NE2 GLN A 62 152.581 -8.795 -7.059 1.00 1.12 N ATOM 0 H GLN A 62 154.480 -4.296 -5.190 1.00 0.57 H new ATOM 0 HA GLN A 62 155.934 -6.538 -5.992 1.00 0.61 H new ATOM 0 HB2 GLN A 62 153.518 -5.382 -6.541 1.00 0.68 H new ATOM 0 HB3 GLN A 62 154.355 -4.916 -8.009 1.00 0.68 H new ATOM 0 HG2 GLN A 62 154.305 -7.054 -8.833 1.00 0.76 H new ATOM 0 HG3 GLN A 62 154.905 -7.728 -7.331 1.00 0.76 H new ATOM 0 HE21 GLN A 62 153.381 -9.427 -7.013 1.00 1.12 H new ATOM 0 HE22 GLN A 62 151.648 -9.136 -6.828 1.00 1.12 H new ATOM 1043 N GLN A 63 157.057 -3.893 -7.485 1.00 0.56 N ATOM 1044 CA GLN A 63 158.171 -3.440 -8.364 1.00 0.59 C ATOM 1045 C GLN A 63 159.493 -4.023 -7.858 1.00 0.56 C ATOM 1046 O GLN A 63 160.294 -4.526 -8.620 1.00 0.56 O ATOM 1047 CB GLN A 63 158.172 -1.916 -8.251 1.00 0.61 C ATOM 1048 CG GLN A 63 158.235 -1.299 -9.650 1.00 0.95 C ATOM 1049 CD GLN A 63 156.837 -0.843 -10.071 1.00 1.41 C ATOM 1050 OE1 GLN A 63 155.818 -1.635 -9.875 1.00 1.75 O flip ATOM 1051 NE2 GLN A 63 156.669 0.244 -10.586 1.00 1.72 N flip ATOM 0 H GLN A 63 156.532 -3.147 -7.028 1.00 0.56 H new ATOM 0 HA GLN A 63 158.050 -3.765 -9.398 1.00 0.59 H new ATOM 0 HB2 GLN A 63 157.274 -1.579 -7.734 1.00 0.61 H new ATOM 0 HB3 GLN A 63 159.025 -1.586 -7.658 1.00 0.61 H new ATOM 0 HG2 GLN A 63 158.922 -0.453 -9.655 1.00 0.95 H new ATOM 0 HG3 GLN A 63 158.621 -2.027 -10.363 1.00 0.95 H new ATOM 0 HE21 GLN A 63 157.464 0.864 -10.740 1.00 1.72 H new ATOM 0 HE22 GLN A 63 155.733 0.537 -10.865 1.00 1.72 H new ATOM 1060 N ASP A 64 159.722 -3.967 -6.574 1.00 0.55 N ATOM 1061 CA ASP A 64 160.987 -4.528 -6.019 1.00 0.54 C ATOM 1062 C ASP A 64 160.900 -6.055 -5.969 1.00 0.50 C ATOM 1063 O ASP A 64 161.899 -6.740 -5.878 1.00 0.51 O ATOM 1064 CB ASP A 64 161.102 -3.945 -4.610 1.00 0.53 C ATOM 1065 CG ASP A 64 159.851 -4.300 -3.805 1.00 0.79 C ATOM 1066 OD1 ASP A 64 159.368 -5.409 -3.960 1.00 1.21 O ATOM 1067 OD2 ASP A 64 159.397 -3.456 -3.050 1.00 1.43 O ATOM 0 H ASP A 64 159.089 -3.558 -5.886 1.00 0.55 H new ATOM 0 HA ASP A 64 161.855 -4.277 -6.628 1.00 0.54 H new ATOM 0 HB2 ASP A 64 161.990 -4.338 -4.114 1.00 0.53 H new ATOM 0 HB3 ASP A 64 161.219 -2.862 -4.662 1.00 0.53 H new ATOM 1072 N ILE A 65 159.712 -6.596 -6.047 1.00 0.49 N ATOM 1073 CA ILE A 65 159.573 -8.082 -6.023 1.00 0.50 C ATOM 1074 C ILE A 65 159.868 -8.625 -7.421 1.00 0.54 C ATOM 1075 O ILE A 65 160.553 -9.615 -7.584 1.00 0.53 O ATOM 1076 CB ILE A 65 158.119 -8.381 -5.625 1.00 0.52 C ATOM 1077 CG1 ILE A 65 157.611 -7.346 -4.618 1.00 0.51 C ATOM 1078 CG2 ILE A 65 158.051 -9.763 -4.974 1.00 0.56 C ATOM 1079 CD1 ILE A 65 156.243 -7.791 -4.084 1.00 0.53 C ATOM 0 H ILE A 65 158.837 -6.077 -6.126 1.00 0.49 H new ATOM 0 HA ILE A 65 160.263 -8.548 -5.320 1.00 0.50 H new ATOM 0 HB ILE A 65 157.500 -8.345 -6.521 1.00 0.52 H new ATOM 0 HG12 ILE A 65 158.319 -7.242 -3.796 1.00 0.51 H new ATOM 0 HG13 ILE A 65 157.529 -6.368 -5.093 1.00 0.51 H new ATOM 0 HG21 ILE A 65 157.022 -9.981 -4.689 1.00 0.56 H new ATOM 0 HG22 ILE A 65 158.399 -10.516 -5.681 1.00 0.56 H new ATOM 0 HG23 ILE A 65 158.684 -9.779 -4.087 1.00 0.56 H new ATOM 0 HD11 ILE A 65 155.876 -7.057 -3.366 1.00 0.53 H new ATOM 0 HD12 ILE A 65 155.538 -7.872 -4.912 1.00 0.53 H new ATOM 0 HD13 ILE A 65 156.341 -8.760 -3.594 1.00 0.53 H new ATOM 1091 N ASP A 66 159.368 -7.968 -8.433 1.00 0.60 N ATOM 1092 CA ASP A 66 159.635 -8.429 -9.823 1.00 0.67 C ATOM 1093 C ASP A 66 161.137 -8.350 -10.097 1.00 0.62 C ATOM 1094 O ASP A 66 161.711 -9.212 -10.733 1.00 0.61 O ATOM 1095 CB ASP A 66 158.871 -7.454 -10.721 1.00 0.76 C ATOM 1096 CG ASP A 66 157.604 -8.130 -11.250 1.00 1.20 C ATOM 1097 OD1 ASP A 66 157.723 -8.942 -12.152 1.00 2.02 O ATOM 1098 OD2 ASP A 66 156.537 -7.823 -10.745 1.00 1.61 O ATOM 0 H ASP A 66 158.787 -7.133 -8.356 1.00 0.60 H new ATOM 0 HA ASP A 66 159.322 -9.459 -9.996 1.00 0.67 H new ATOM 0 HB2 ASP A 66 158.610 -6.556 -10.161 1.00 0.76 H new ATOM 0 HB3 ASP A 66 159.502 -7.139 -11.552 1.00 0.76 H new ATOM 1103 N ASP A 67 161.779 -7.326 -9.601 1.00 0.62 N ATOM 1104 CA ASP A 67 163.248 -7.194 -9.812 1.00 0.60 C ATOM 1105 C ASP A 67 163.976 -8.236 -8.961 1.00 0.54 C ATOM 1106 O ASP A 67 164.860 -8.928 -9.427 1.00 0.55 O ATOM 1107 CB ASP A 67 163.594 -5.779 -9.346 1.00 0.62 C ATOM 1108 CG ASP A 67 164.520 -5.116 -10.367 1.00 0.91 C ATOM 1109 OD1 ASP A 67 164.139 -5.044 -11.524 1.00 1.60 O ATOM 1110 OD2 ASP A 67 165.594 -4.690 -9.975 1.00 1.58 O ATOM 0 H ASP A 67 161.349 -6.576 -9.059 1.00 0.62 H new ATOM 0 HA ASP A 67 163.542 -7.355 -10.849 1.00 0.60 H new ATOM 0 HB2 ASP A 67 162.684 -5.191 -9.229 1.00 0.62 H new ATOM 0 HB3 ASP A 67 164.078 -5.815 -8.370 1.00 0.62 H new ATOM 1115 N LEU A 68 163.597 -8.363 -7.718 1.00 0.54 N ATOM 1116 CA LEU A 68 164.252 -9.372 -6.839 1.00 0.51 C ATOM 1117 C LEU A 68 163.958 -10.775 -7.372 1.00 0.52 C ATOM 1118 O LEU A 68 164.795 -11.655 -7.335 1.00 0.52 O ATOM 1119 CB LEU A 68 163.616 -9.177 -5.462 1.00 0.51 C ATOM 1120 CG LEU A 68 164.128 -7.878 -4.839 1.00 0.62 C ATOM 1121 CD1 LEU A 68 163.161 -7.421 -3.746 1.00 0.63 C ATOM 1122 CD2 LEU A 68 165.510 -8.117 -4.226 1.00 0.68 C ATOM 0 H LEU A 68 162.863 -7.812 -7.274 1.00 0.54 H new ATOM 0 HA LEU A 68 165.335 -9.256 -6.800 1.00 0.51 H new ATOM 0 HB2 LEU A 68 162.530 -9.145 -5.553 1.00 0.51 H new ATOM 0 HB3 LEU A 68 163.857 -10.021 -4.816 1.00 0.51 H new ATOM 0 HG LEU A 68 164.198 -7.109 -5.609 1.00 0.62 H new ATOM 0 HD11 LEU A 68 163.526 -6.495 -3.302 1.00 0.63 H new ATOM 0 HD12 LEU A 68 162.175 -7.252 -4.180 1.00 0.63 H new ATOM 0 HD13 LEU A 68 163.092 -8.190 -2.977 1.00 0.63 H new ATOM 0 HD21 LEU A 68 165.876 -7.191 -3.782 1.00 0.68 H new ATOM 0 HD22 LEU A 68 165.439 -8.886 -3.456 1.00 0.68 H new ATOM 0 HD23 LEU A 68 166.201 -8.444 -5.003 1.00 0.68 H new ATOM 1134 N LYS A 69 162.771 -10.984 -7.874 1.00 0.58 N ATOM 1135 CA LYS A 69 162.415 -12.324 -8.419 1.00 0.65 C ATOM 1136 C LYS A 69 163.385 -12.702 -9.540 1.00 0.62 C ATOM 1137 O LYS A 69 163.868 -13.815 -9.608 1.00 0.64 O ATOM 1138 CB LYS A 69 160.997 -12.162 -8.967 1.00 0.80 C ATOM 1139 CG LYS A 69 160.536 -13.479 -9.592 1.00 0.89 C ATOM 1140 CD LYS A 69 159.737 -14.279 -8.561 1.00 1.40 C ATOM 1141 CE LYS A 69 158.391 -13.594 -8.314 1.00 1.60 C ATOM 1142 NZ LYS A 69 157.405 -14.385 -9.102 1.00 2.20 N ATOM 0 H LYS A 69 162.032 -10.283 -7.930 1.00 0.58 H new ATOM 0 HA LYS A 69 162.472 -13.111 -7.667 1.00 0.65 H new ATOM 0 HB2 LYS A 69 160.318 -11.870 -8.166 1.00 0.80 H new ATOM 0 HB3 LYS A 69 160.972 -11.366 -9.711 1.00 0.80 H new ATOM 0 HG2 LYS A 69 159.922 -13.282 -10.471 1.00 0.89 H new ATOM 0 HG3 LYS A 69 161.398 -14.056 -9.928 1.00 0.89 H new ATOM 0 HD2 LYS A 69 159.579 -15.297 -8.918 1.00 1.40 H new ATOM 0 HD3 LYS A 69 160.297 -14.352 -7.628 1.00 1.40 H new ATOM 0 HE2 LYS A 69 158.138 -13.592 -7.254 1.00 1.60 H new ATOM 0 HE3 LYS A 69 158.412 -12.554 -8.639 1.00 1.60 H new ATOM 0 HZ1 LYS A 69 156.457 -13.975 -8.983 1.00 2.20 H new ATOM 0 HZ2 LYS A 69 157.667 -14.363 -10.108 1.00 2.20 H new ATOM 0 HZ3 LYS A 69 157.402 -15.369 -8.766 1.00 2.20 H new ATOM 1156 N ARG A 70 163.679 -11.780 -10.415 1.00 0.63 N ATOM 1157 CA ARG A 70 164.624 -12.081 -11.527 1.00 0.65 C ATOM 1158 C ARG A 70 166.029 -12.307 -10.965 1.00 0.58 C ATOM 1159 O ARG A 70 166.775 -13.139 -11.444 1.00 0.58 O ATOM 1160 CB ARG A 70 164.593 -10.842 -12.422 1.00 0.73 C ATOM 1161 CG ARG A 70 164.466 -11.270 -13.885 1.00 1.29 C ATOM 1162 CD ARG A 70 163.840 -10.135 -14.698 1.00 1.30 C ATOM 1163 NE ARG A 70 162.600 -10.719 -15.279 1.00 1.67 N ATOM 1164 CZ ARG A 70 162.629 -11.267 -16.463 1.00 2.27 C ATOM 1165 NH1 ARG A 70 163.553 -12.142 -16.754 1.00 2.72 N ATOM 1166 NH2 ARG A 70 161.733 -10.942 -17.355 1.00 3.01 N ATOM 0 H ARG A 70 163.305 -10.831 -10.408 1.00 0.63 H new ATOM 0 HA ARG A 70 164.349 -12.981 -12.077 1.00 0.65 H new ATOM 0 HB2 ARG A 70 163.755 -10.202 -12.146 1.00 0.73 H new ATOM 0 HB3 ARG A 70 165.501 -10.256 -12.281 1.00 0.73 H new ATOM 0 HG2 ARG A 70 165.447 -11.521 -14.288 1.00 1.29 H new ATOM 0 HG3 ARG A 70 163.851 -12.167 -13.960 1.00 1.29 H new ATOM 0 HD2 ARG A 70 163.614 -9.275 -14.067 1.00 1.30 H new ATOM 0 HD3 ARG A 70 164.517 -9.788 -15.479 1.00 1.30 H new ATOM 0 HE ARG A 70 161.727 -10.691 -14.751 1.00 1.67 H new ATOM 0 HH11 ARG A 70 164.252 -12.397 -16.056 1.00 2.72 H new ATOM 0 HH12 ARG A 70 163.576 -12.571 -17.679 1.00 2.72 H new ATOM 0 HH21 ARG A 70 161.010 -10.260 -17.127 1.00 3.01 H new ATOM 0 HH22 ARG A 70 161.756 -11.370 -18.280 1.00 3.01 H new ATOM 1180 N GLN A 71 166.392 -11.576 -9.947 1.00 0.52 N ATOM 1181 CA GLN A 71 167.747 -11.750 -9.349 1.00 0.49 C ATOM 1182 C GLN A 71 167.931 -13.196 -8.881 1.00 0.45 C ATOM 1183 O GLN A 71 168.452 -14.026 -9.597 1.00 0.48 O ATOM 1184 CB GLN A 71 167.780 -10.792 -8.157 1.00 0.45 C ATOM 1185 CG GLN A 71 167.862 -9.350 -8.659 1.00 0.80 C ATOM 1186 CD GLN A 71 167.857 -8.394 -7.465 1.00 0.99 C ATOM 1187 OE1 GLN A 71 167.598 -8.800 -6.349 1.00 1.89 O ATOM 1188 NE2 GLN A 71 168.134 -7.133 -7.652 1.00 1.51 N ATOM 0 H GLN A 71 165.810 -10.866 -9.503 1.00 0.52 H new ATOM 0 HA GLN A 71 168.545 -11.540 -10.061 1.00 0.49 H new ATOM 0 HB2 GLN A 71 166.887 -10.925 -7.546 1.00 0.45 H new ATOM 0 HB3 GLN A 71 168.637 -11.016 -7.522 1.00 0.45 H new ATOM 0 HG2 GLN A 71 168.769 -9.209 -9.247 1.00 0.80 H new ATOM 0 HG3 GLN A 71 167.019 -9.134 -9.315 1.00 0.80 H new ATOM 0 HE21 GLN A 71 168.351 -6.792 -8.588 1.00 1.51 H new ATOM 0 HE22 GLN A 71 168.133 -6.488 -6.862 1.00 1.51 H new ATOM 1197 N ASN A 72 167.507 -13.501 -7.682 1.00 0.42 N ATOM 1198 CA ASN A 72 167.658 -14.891 -7.163 1.00 0.42 C ATOM 1199 C ASN A 72 167.349 -15.911 -8.268 1.00 0.49 C ATOM 1200 O ASN A 72 167.859 -17.013 -8.264 1.00 0.54 O ATOM 1201 CB ASN A 72 166.664 -14.986 -5.994 1.00 0.44 C ATOM 1202 CG ASN A 72 165.337 -15.602 -6.450 1.00 0.54 C ATOM 1203 OD1 ASN A 72 164.890 -16.667 -5.846 1.00 0.96 O flip ATOM 1204 ND2 ASN A 72 164.705 -15.110 -7.364 1.00 0.71 N flip ATOM 0 H ASN A 72 167.062 -12.845 -7.040 1.00 0.42 H new ATOM 0 HA ASN A 72 168.674 -15.111 -6.834 1.00 0.42 H new ATOM 0 HB2 ASN A 72 167.094 -15.590 -5.195 1.00 0.44 H new ATOM 0 HB3 ASN A 72 166.485 -13.993 -5.582 1.00 0.44 H new ATOM 0 HD21 ASN A 72 165.056 -14.277 -7.836 1.00 0.71 H new ATOM 0 HD22 ASN A 72 163.824 -15.530 -7.659 1.00 0.71 H new ATOM 1211 N ALA A 73 166.530 -15.549 -9.221 1.00 0.53 N ATOM 1212 CA ALA A 73 166.212 -16.500 -10.323 1.00 0.61 C ATOM 1213 C ALA A 73 167.476 -16.761 -11.139 1.00 0.58 C ATOM 1214 O ALA A 73 167.896 -17.888 -11.317 1.00 0.60 O ATOM 1215 CB ALA A 73 165.157 -15.790 -11.172 1.00 0.69 C ATOM 0 H ALA A 73 166.071 -14.640 -9.283 1.00 0.53 H new ATOM 0 HA ALA A 73 165.849 -17.462 -9.962 1.00 0.61 H new ATOM 0 HB1 ALA A 73 164.871 -16.430 -12.007 1.00 0.69 H new ATOM 0 HB2 ALA A 73 164.280 -15.578 -10.560 1.00 0.69 H new ATOM 0 HB3 ALA A 73 165.567 -14.855 -11.555 1.00 0.69 H new ATOM 1221 N LEU A 74 168.095 -15.720 -11.619 1.00 0.56 N ATOM 1222 CA LEU A 74 169.346 -15.890 -12.408 1.00 0.57 C ATOM 1223 C LEU A 74 170.523 -16.036 -11.445 1.00 0.51 C ATOM 1224 O LEU A 74 171.539 -16.623 -11.764 1.00 0.56 O ATOM 1225 CB LEU A 74 169.472 -14.605 -13.229 1.00 0.62 C ATOM 1226 CG LEU A 74 168.553 -14.672 -14.455 1.00 1.10 C ATOM 1227 CD1 LEU A 74 167.190 -15.246 -14.058 1.00 1.69 C ATOM 1228 CD2 LEU A 74 168.361 -13.262 -15.017 1.00 1.84 C ATOM 0 H LEU A 74 167.787 -14.755 -11.498 1.00 0.56 H new ATOM 0 HA LEU A 74 169.333 -16.772 -13.049 1.00 0.57 H new ATOM 0 HB2 LEU A 74 169.209 -13.744 -12.614 1.00 0.62 H new ATOM 0 HB3 LEU A 74 170.506 -14.467 -13.546 1.00 0.62 H new ATOM 0 HG LEU A 74 169.007 -15.316 -15.209 1.00 1.10 H new ATOM 0 HD11 LEU A 74 166.544 -15.290 -14.935 1.00 1.69 H new ATOM 0 HD12 LEU A 74 167.322 -16.250 -13.654 1.00 1.69 H new ATOM 0 HD13 LEU A 74 166.733 -14.608 -13.302 1.00 1.69 H new ATOM 0 HD21 LEU A 74 167.708 -13.304 -15.889 1.00 1.84 H new ATOM 0 HD22 LEU A 74 167.910 -12.625 -14.256 1.00 1.84 H new ATOM 0 HD23 LEU A 74 169.328 -12.851 -15.307 1.00 1.84 H new ATOM 1240 N LEU A 75 170.380 -15.514 -10.256 1.00 0.44 N ATOM 1241 CA LEU A 75 171.469 -15.623 -9.249 1.00 0.40 C ATOM 1242 C LEU A 75 171.671 -17.092 -8.874 1.00 0.41 C ATOM 1243 O LEU A 75 172.764 -17.618 -8.939 1.00 0.44 O ATOM 1244 CB LEU A 75 170.959 -14.832 -8.046 1.00 0.38 C ATOM 1245 CG LEU A 75 171.600 -13.443 -8.023 1.00 0.46 C ATOM 1246 CD1 LEU A 75 170.535 -12.397 -7.686 1.00 0.45 C ATOM 1247 CD2 LEU A 75 172.696 -13.404 -6.956 1.00 0.54 C ATOM 0 H LEU A 75 169.549 -15.014 -9.940 1.00 0.44 H new ATOM 0 HA LEU A 75 172.425 -15.245 -9.613 1.00 0.40 H new ATOM 0 HB2 LEU A 75 169.874 -14.740 -8.094 1.00 0.38 H new ATOM 0 HB3 LEU A 75 171.193 -15.365 -7.124 1.00 0.38 H new ATOM 0 HG LEU A 75 172.032 -13.228 -9.000 1.00 0.46 H new ATOM 0 HD11 LEU A 75 170.990 -11.407 -7.669 1.00 0.45 H new ATOM 0 HD12 LEU A 75 169.749 -12.422 -8.440 1.00 0.45 H new ATOM 0 HD13 LEU A 75 170.107 -12.616 -6.708 1.00 0.45 H new ATOM 0 HD21 LEU A 75 173.153 -12.414 -6.940 1.00 0.54 H new ATOM 0 HD22 LEU A 75 172.261 -13.619 -5.980 1.00 0.54 H new ATOM 0 HD23 LEU A 75 173.456 -14.150 -7.187 1.00 0.54 H new ATOM 1259 N GLU A 76 170.616 -17.758 -8.489 1.00 0.43 N ATOM 1260 CA GLU A 76 170.733 -19.195 -8.116 1.00 0.47 C ATOM 1261 C GLU A 76 171.056 -20.028 -9.359 1.00 0.51 C ATOM 1262 O GLU A 76 171.698 -21.056 -9.281 1.00 0.57 O ATOM 1263 CB GLU A 76 169.361 -19.571 -7.556 1.00 0.53 C ATOM 1264 CG GLU A 76 169.490 -20.818 -6.679 1.00 0.65 C ATOM 1265 CD GLU A 76 168.485 -20.740 -5.528 1.00 0.78 C ATOM 1266 OE1 GLU A 76 168.566 -19.796 -4.759 1.00 1.65 O ATOM 1267 OE2 GLU A 76 167.653 -21.627 -5.434 1.00 0.92 O ATOM 0 H GLU A 76 169.677 -17.367 -8.417 1.00 0.43 H new ATOM 0 HA GLU A 76 171.528 -19.377 -7.393 1.00 0.47 H new ATOM 0 HB2 GLU A 76 168.956 -18.744 -6.973 1.00 0.53 H new ATOM 0 HB3 GLU A 76 168.663 -19.758 -8.372 1.00 0.53 H new ATOM 0 HG2 GLU A 76 169.309 -21.714 -7.273 1.00 0.65 H new ATOM 0 HG3 GLU A 76 170.504 -20.896 -6.286 1.00 0.65 H new ATOM 1274 N GLN A 77 170.621 -19.584 -10.508 1.00 0.51 N ATOM 1275 CA GLN A 77 170.910 -20.342 -11.759 1.00 0.58 C ATOM 1276 C GLN A 77 172.413 -20.316 -12.043 1.00 0.58 C ATOM 1277 O GLN A 77 172.916 -21.051 -12.871 1.00 0.63 O ATOM 1278 CB GLN A 77 170.141 -19.606 -12.857 1.00 0.62 C ATOM 1279 CG GLN A 77 169.428 -20.622 -13.752 1.00 0.74 C ATOM 1280 CD GLN A 77 168.494 -21.484 -12.900 1.00 1.26 C ATOM 1281 OE1 GLN A 77 168.884 -22.528 -12.417 1.00 1.80 O ATOM 1282 NE2 GLN A 77 167.267 -21.088 -12.696 1.00 1.88 N ATOM 0 H GLN A 77 170.078 -18.730 -10.634 1.00 0.51 H new ATOM 0 HA GLN A 77 170.613 -21.389 -11.692 1.00 0.58 H new ATOM 0 HB2 GLN A 77 169.415 -18.925 -12.413 1.00 0.62 H new ATOM 0 HB3 GLN A 77 170.825 -19.000 -13.451 1.00 0.62 H new ATOM 0 HG2 GLN A 77 168.859 -20.106 -14.525 1.00 0.74 H new ATOM 0 HG3 GLN A 77 170.159 -21.251 -14.260 1.00 0.74 H new ATOM 0 HE21 GLN A 77 166.940 -20.211 -13.102 1.00 1.88 H new ATOM 0 HE22 GLN A 77 166.635 -21.655 -12.131 1.00 1.88 H new ATOM 1291 N GLN A 78 173.138 -19.490 -11.340 1.00 0.59 N ATOM 1292 CA GLN A 78 174.611 -19.427 -11.544 1.00 0.64 C ATOM 1293 C GLN A 78 175.272 -20.090 -10.348 1.00 0.60 C ATOM 1294 O GLN A 78 176.239 -20.815 -10.467 1.00 0.63 O ATOM 1295 CB GLN A 78 174.948 -17.936 -11.599 1.00 0.69 C ATOM 1296 CG GLN A 78 176.463 -17.759 -11.720 1.00 0.67 C ATOM 1297 CD GLN A 78 176.828 -17.459 -13.175 1.00 0.83 C ATOM 1298 OE1 GLN A 78 177.412 -18.285 -13.849 1.00 1.37 O ATOM 1299 NE2 GLN A 78 176.509 -16.304 -13.691 1.00 1.56 N ATOM 0 H GLN A 78 172.772 -18.855 -10.631 1.00 0.59 H new ATOM 0 HA GLN A 78 174.951 -19.932 -12.448 1.00 0.64 H new ATOM 0 HB2 GLN A 78 174.448 -17.470 -12.448 1.00 0.69 H new ATOM 0 HB3 GLN A 78 174.583 -17.437 -10.701 1.00 0.69 H new ATOM 0 HG2 GLN A 78 176.797 -16.946 -11.075 1.00 0.67 H new ATOM 0 HG3 GLN A 78 176.973 -18.662 -11.385 1.00 0.67 H new ATOM 0 HE21 GLN A 78 176.019 -15.611 -13.126 1.00 1.56 H new ATOM 0 HE22 GLN A 78 176.750 -16.094 -14.660 1.00 1.56 H new ATOM 1308 N VAL A 79 174.716 -19.864 -9.196 1.00 0.59 N ATOM 1309 CA VAL A 79 175.249 -20.492 -7.967 1.00 0.60 C ATOM 1310 C VAL A 79 175.143 -22.015 -8.111 1.00 0.63 C ATOM 1311 O VAL A 79 175.882 -22.765 -7.506 1.00 0.68 O ATOM 1312 CB VAL A 79 174.338 -19.942 -6.858 1.00 0.64 C ATOM 1313 CG1 VAL A 79 173.975 -21.039 -5.859 1.00 0.73 C ATOM 1314 CG2 VAL A 79 175.066 -18.814 -6.125 1.00 0.72 C ATOM 0 H VAL A 79 173.904 -19.263 -9.054 1.00 0.59 H new ATOM 0 HA VAL A 79 176.297 -20.276 -7.759 1.00 0.60 H new ATOM 0 HB VAL A 79 173.421 -19.568 -7.313 1.00 0.64 H new ATOM 0 HG11 VAL A 79 173.330 -20.626 -5.084 1.00 0.73 H new ATOM 0 HG12 VAL A 79 173.452 -21.843 -6.376 1.00 0.73 H new ATOM 0 HG13 VAL A 79 174.884 -21.432 -5.403 1.00 0.73 H new ATOM 0 HG21 VAL A 79 174.425 -18.419 -5.337 1.00 0.72 H new ATOM 0 HG22 VAL A 79 175.986 -19.200 -5.686 1.00 0.72 H new ATOM 0 HG23 VAL A 79 175.307 -18.018 -6.830 1.00 0.72 H new ATOM 1741 N ILE B 19 130.264 14.006 4.406 1.00 1.19 N ATOM 1742 CA ILE B 19 130.554 12.719 3.707 1.00 1.05 C ATOM 1743 C ILE B 19 130.579 12.974 2.199 1.00 0.94 C ATOM 1744 O ILE B 19 131.636 13.103 1.614 1.00 0.95 O ATOM 1745 CB ILE B 19 129.409 11.778 4.091 1.00 1.28 C ATOM 1746 CG1 ILE B 19 129.403 11.603 5.621 1.00 1.91 C ATOM 1747 CG2 ILE B 19 129.602 10.419 3.397 1.00 1.51 C ATOM 1748 CD1 ILE B 19 129.918 10.212 6.005 1.00 1.99 C ATOM 0 HA ILE B 19 131.516 12.289 3.984 1.00 1.05 H new ATOM 0 HB ILE B 19 128.455 12.198 3.771 1.00 1.28 H new ATOM 0 HG12 ILE B 19 130.027 12.368 6.083 1.00 1.91 H new ATOM 0 HG13 ILE B 19 128.392 11.742 6.005 1.00 1.91 H new ATOM 0 HG21 ILE B 19 128.786 9.751 3.672 1.00 1.51 H new ATOM 0 HG22 ILE B 19 129.607 10.560 2.316 1.00 1.51 H new ATOM 0 HG23 ILE B 19 130.550 9.982 3.710 1.00 1.51 H new ATOM 0 HD11 ILE B 19 129.907 10.107 7.090 1.00 1.99 H new ATOM 0 HD12 ILE B 19 129.277 9.451 5.560 1.00 1.99 H new ATOM 0 HD13 ILE B 19 130.937 10.088 5.639 1.00 1.99 H new ATOM 1760 N LYS B 20 129.421 13.058 1.577 1.00 0.98 N ATOM 1761 CA LYS B 20 129.359 13.327 0.100 1.00 1.01 C ATOM 1762 C LYS B 20 130.584 14.125 -0.353 1.00 0.95 C ATOM 1763 O LYS B 20 131.187 13.832 -1.367 1.00 0.98 O ATOM 1764 CB LYS B 20 128.105 14.161 -0.109 1.00 1.24 C ATOM 1765 CG LYS B 20 126.932 13.252 -0.488 1.00 1.39 C ATOM 1766 CD LYS B 20 126.780 12.137 0.549 1.00 1.83 C ATOM 1767 CE LYS B 20 126.063 12.680 1.788 1.00 2.31 C ATOM 1768 NZ LYS B 20 124.676 12.975 1.332 1.00 2.83 N ATOM 0 H LYS B 20 128.514 12.951 2.031 1.00 0.98 H new ATOM 0 HA LYS B 20 129.341 12.399 -0.472 1.00 1.01 H new ATOM 0 HB2 LYS B 20 127.869 14.713 0.801 1.00 1.24 H new ATOM 0 HB3 LYS B 20 128.274 14.898 -0.894 1.00 1.24 H new ATOM 0 HG2 LYS B 20 126.013 13.835 -0.545 1.00 1.39 H new ATOM 0 HG3 LYS B 20 127.099 12.822 -1.476 1.00 1.39 H new ATOM 0 HD2 LYS B 20 126.215 11.307 0.125 1.00 1.83 H new ATOM 0 HD3 LYS B 20 127.760 11.748 0.825 1.00 1.83 H new ATOM 0 HE2 LYS B 20 126.066 11.950 2.597 1.00 2.31 H new ATOM 0 HE3 LYS B 20 126.553 13.577 2.166 1.00 2.31 H new ATOM 0 HZ1 LYS B 20 123.999 12.679 2.064 1.00 2.83 H new ATOM 0 HZ2 LYS B 20 124.577 13.996 1.161 1.00 2.83 H new ATOM 0 HZ3 LYS B 20 124.482 12.456 0.452 1.00 2.83 H new ATOM 1782 N ASP B 21 130.975 15.118 0.402 1.00 0.95 N ATOM 1783 CA ASP B 21 132.185 15.894 0.008 1.00 1.01 C ATOM 1784 C ASP B 21 133.360 14.920 -0.114 1.00 0.99 C ATOM 1785 O ASP B 21 133.857 14.651 -1.196 1.00 1.03 O ATOM 1786 CB ASP B 21 132.414 16.894 1.143 1.00 1.16 C ATOM 1787 CG ASP B 21 133.095 18.145 0.586 1.00 2.09 C ATOM 1788 OD1 ASP B 21 134.242 18.042 0.183 1.00 2.72 O ATOM 1789 OD2 ASP B 21 132.457 19.185 0.570 1.00 2.71 O ATOM 0 H ASP B 21 130.516 15.421 1.261 1.00 0.95 H new ATOM 0 HA ASP B 21 132.077 16.412 -0.945 1.00 1.01 H new ATOM 0 HB2 ASP B 21 131.464 17.159 1.606 1.00 1.16 H new ATOM 0 HB3 ASP B 21 133.033 16.445 1.920 1.00 1.16 H new ATOM 1794 N SER B 22 133.784 14.354 0.984 1.00 1.00 N ATOM 1795 CA SER B 22 134.892 13.366 0.920 1.00 1.09 C ATOM 1796 C SER B 22 134.501 12.274 -0.075 1.00 1.00 C ATOM 1797 O SER B 22 135.296 11.840 -0.885 1.00 1.03 O ATOM 1798 CB SER B 22 135.009 12.799 2.334 1.00 1.27 C ATOM 1799 OG SER B 22 133.759 12.245 2.723 1.00 1.82 O ATOM 0 H SER B 22 133.412 14.534 1.916 1.00 1.00 H new ATOM 0 HA SER B 22 135.839 13.797 0.595 1.00 1.09 H new ATOM 0 HB2 SER B 22 135.785 12.034 2.369 1.00 1.27 H new ATOM 0 HB3 SER B 22 135.304 13.584 3.030 1.00 1.27 H new ATOM 0 HG SER B 22 133.042 12.880 2.518 1.00 1.82 H new ATOM 1805 N PHE B 23 133.261 11.852 -0.040 1.00 0.95 N ATOM 1806 CA PHE B 23 132.796 10.817 -1.006 1.00 0.96 C ATOM 1807 C PHE B 23 133.316 11.180 -2.389 1.00 0.86 C ATOM 1808 O PHE B 23 134.051 10.432 -3.000 1.00 0.89 O ATOM 1809 CB PHE B 23 131.276 10.920 -0.989 1.00 1.07 C ATOM 1810 CG PHE B 23 130.657 9.879 -0.087 1.00 0.83 C ATOM 1811 CD1 PHE B 23 131.447 9.101 0.772 1.00 1.52 C ATOM 1812 CD2 PHE B 23 129.268 9.697 -0.109 1.00 1.34 C ATOM 1813 CE1 PHE B 23 130.845 8.152 1.596 1.00 1.62 C ATOM 1814 CE2 PHE B 23 128.675 8.752 0.722 1.00 1.35 C ATOM 1815 CZ PHE B 23 129.465 7.980 1.572 1.00 1.03 C ATOM 0 H PHE B 23 132.553 12.181 0.617 1.00 0.95 H new ATOM 0 HA PHE B 23 133.141 9.814 -0.756 1.00 0.96 H new ATOM 0 HB2 PHE B 23 130.982 11.914 -0.653 1.00 1.07 H new ATOM 0 HB3 PHE B 23 130.891 10.799 -2.002 1.00 1.07 H new ATOM 0 HD1 PHE B 23 132.518 9.237 0.795 1.00 1.52 H new ATOM 0 HD2 PHE B 23 128.657 10.291 -0.772 1.00 1.34 H new ATOM 0 HE1 PHE B 23 131.452 7.548 2.255 1.00 1.62 H new ATOM 0 HE2 PHE B 23 127.604 8.617 0.709 1.00 1.35 H new ATOM 0 HZ PHE B 23 129.004 7.245 2.215 1.00 1.03 H new ATOM 1825 N HIS B 24 132.942 12.338 -2.881 1.00 0.84 N ATOM 1826 CA HIS B 24 133.433 12.764 -4.224 1.00 0.88 C ATOM 1827 C HIS B 24 134.910 12.391 -4.350 1.00 0.86 C ATOM 1828 O HIS B 24 135.320 11.723 -5.284 1.00 0.87 O ATOM 1829 CB HIS B 24 133.248 14.281 -4.257 1.00 0.97 C ATOM 1830 CG HIS B 24 131.816 14.604 -4.588 1.00 1.36 C ATOM 1831 ND1 HIS B 24 131.418 15.866 -4.999 1.00 2.01 N ATOM 1832 CD2 HIS B 24 130.676 13.838 -4.573 1.00 1.95 C ATOM 1833 CE1 HIS B 24 130.090 15.823 -5.212 1.00 2.41 C ATOM 1834 NE2 HIS B 24 129.588 14.610 -4.967 1.00 2.34 N ATOM 0 H HIS B 24 132.323 13.000 -2.413 1.00 0.84 H new ATOM 0 HA HIS B 24 132.900 12.286 -5.046 1.00 0.88 H new ATOM 0 HB2 HIS B 24 133.516 14.712 -3.292 1.00 0.97 H new ATOM 0 HB3 HIS B 24 133.913 14.723 -4.999 1.00 0.97 H new ATOM 0 HD2 HIS B 24 130.631 12.795 -4.297 1.00 1.95 H new ATOM 0 HE1 HIS B 24 129.502 16.667 -5.541 1.00 2.41 H new ATOM 0 HE2 HIS B 24 128.616 14.313 -5.051 1.00 2.34 H new ATOM 1842 N SER B 25 135.708 12.782 -3.390 1.00 0.95 N ATOM 1843 CA SER B 25 137.149 12.409 -3.441 1.00 1.05 C ATOM 1844 C SER B 25 137.250 10.891 -3.583 1.00 0.93 C ATOM 1845 O SER B 25 138.009 10.370 -4.378 1.00 0.96 O ATOM 1846 CB SER B 25 137.736 12.867 -2.105 1.00 1.27 C ATOM 1847 OG SER B 25 138.920 13.617 -2.344 1.00 1.36 O ATOM 0 H SER B 25 135.426 13.337 -2.582 1.00 0.95 H new ATOM 0 HA SER B 25 137.680 12.864 -4.277 1.00 1.05 H new ATOM 0 HB2 SER B 25 137.010 13.475 -1.565 1.00 1.27 H new ATOM 0 HB3 SER B 25 137.959 12.004 -1.478 1.00 1.27 H new ATOM 0 HG SER B 25 139.298 13.913 -1.490 1.00 1.36 H new ATOM 1853 N LEU B 26 136.463 10.178 -2.824 1.00 0.92 N ATOM 1854 CA LEU B 26 136.479 8.695 -2.914 1.00 0.96 C ATOM 1855 C LEU B 26 135.954 8.268 -4.289 1.00 0.85 C ATOM 1856 O LEU B 26 136.445 7.334 -4.897 1.00 0.86 O ATOM 1857 CB LEU B 26 135.536 8.230 -1.805 1.00 1.12 C ATOM 1858 CG LEU B 26 136.351 7.813 -0.581 1.00 1.31 C ATOM 1859 CD1 LEU B 26 135.676 8.343 0.685 1.00 1.52 C ATOM 1860 CD2 LEU B 26 136.428 6.285 -0.511 1.00 1.63 C ATOM 0 H LEU B 26 135.808 10.563 -2.143 1.00 0.92 H new ATOM 0 HA LEU B 26 137.476 8.269 -2.800 1.00 0.96 H new ATOM 0 HB2 LEU B 26 134.847 9.032 -1.540 1.00 1.12 H new ATOM 0 HB3 LEU B 26 134.932 7.393 -2.155 1.00 1.12 H new ATOM 0 HG LEU B 26 137.357 8.225 -0.660 1.00 1.31 H new ATOM 0 HD11 LEU B 26 136.257 8.046 1.558 1.00 1.52 H new ATOM 0 HD12 LEU B 26 135.620 9.431 0.639 1.00 1.52 H new ATOM 0 HD13 LEU B 26 134.670 7.931 0.761 1.00 1.52 H new ATOM 0 HD21 LEU B 26 137.009 5.990 0.362 1.00 1.63 H new ATOM 0 HD22 LEU B 26 135.422 5.873 -0.433 1.00 1.63 H new ATOM 0 HD23 LEU B 26 136.908 5.903 -1.412 1.00 1.63 H new ATOM 1872 N ARG B 27 134.960 8.957 -4.786 1.00 0.86 N ATOM 1873 CA ARG B 27 134.404 8.609 -6.124 1.00 0.93 C ATOM 1874 C ARG B 27 135.553 8.332 -7.091 1.00 0.86 C ATOM 1875 O ARG B 27 135.508 7.411 -7.882 1.00 0.96 O ATOM 1876 CB ARG B 27 133.615 9.844 -6.562 1.00 1.07 C ATOM 1877 CG ARG B 27 132.258 9.413 -7.121 1.00 1.09 C ATOM 1878 CD ARG B 27 131.526 10.639 -7.672 1.00 1.11 C ATOM 1879 NE ARG B 27 130.396 10.087 -8.470 1.00 1.55 N ATOM 1880 CZ ARG B 27 130.258 10.421 -9.724 1.00 1.93 C ATOM 1881 NH1 ARG B 27 129.921 11.641 -10.042 1.00 2.45 N ATOM 1882 NH2 ARG B 27 130.458 9.536 -10.662 1.00 2.34 N ATOM 0 H ARG B 27 134.510 9.746 -4.322 1.00 0.86 H new ATOM 0 HA ARG B 27 133.774 7.720 -6.102 1.00 0.93 H new ATOM 0 HB2 ARG B 27 133.474 10.517 -5.716 1.00 1.07 H new ATOM 0 HB3 ARG B 27 134.173 10.395 -7.319 1.00 1.07 H new ATOM 0 HG2 ARG B 27 132.395 8.672 -7.909 1.00 1.09 H new ATOM 0 HG3 ARG B 27 131.663 8.941 -6.339 1.00 1.09 H new ATOM 0 HD2 ARG B 27 131.165 11.278 -6.866 1.00 1.11 H new ATOM 0 HD3 ARG B 27 132.186 11.248 -8.290 1.00 1.11 H new ATOM 0 HE ARG B 27 129.730 9.448 -8.036 1.00 1.55 H new ATOM 0 HH11 ARG B 27 129.765 12.334 -9.310 1.00 2.45 H new ATOM 0 HH12 ARG B 27 129.813 11.901 -11.022 1.00 2.45 H new ATOM 0 HH21 ARG B 27 130.722 8.582 -10.415 1.00 2.34 H new ATOM 0 HH22 ARG B 27 130.350 9.798 -11.642 1.00 2.34 H new ATOM 1896 N ASP B 28 136.593 9.118 -7.018 1.00 0.86 N ATOM 1897 CA ASP B 28 137.759 8.893 -7.918 1.00 0.89 C ATOM 1898 C ASP B 28 138.637 7.777 -7.352 1.00 0.82 C ATOM 1899 O ASP B 28 139.355 7.117 -8.077 1.00 0.86 O ATOM 1900 CB ASP B 28 138.516 10.220 -7.934 1.00 1.04 C ATOM 1901 CG ASP B 28 138.228 10.953 -9.246 1.00 1.25 C ATOM 1902 OD1 ASP B 28 137.260 11.695 -9.287 1.00 1.76 O ATOM 1903 OD2 ASP B 28 138.978 10.758 -10.188 1.00 1.66 O ATOM 0 H ASP B 28 136.685 9.905 -6.375 1.00 0.86 H new ATOM 0 HA ASP B 28 137.460 8.591 -8.922 1.00 0.89 H new ATOM 0 HB2 ASP B 28 138.212 10.835 -7.087 1.00 1.04 H new ATOM 0 HB3 ASP B 28 139.586 10.042 -7.831 1.00 1.04 H new ATOM 1908 N SER B 29 138.575 7.539 -6.066 1.00 0.76 N ATOM 1909 CA SER B 29 139.400 6.440 -5.494 1.00 0.76 C ATOM 1910 C SER B 29 139.197 5.202 -6.359 1.00 0.71 C ATOM 1911 O SER B 29 140.129 4.649 -6.906 1.00 0.76 O ATOM 1912 CB SER B 29 138.864 6.212 -4.081 1.00 0.83 C ATOM 1913 OG SER B 29 139.951 6.195 -3.165 1.00 1.24 O ATOM 0 H SER B 29 137.997 8.051 -5.399 1.00 0.76 H new ATOM 0 HA SER B 29 140.465 6.669 -5.466 1.00 0.76 H new ATOM 0 HB2 SER B 29 138.161 7.001 -3.814 1.00 0.83 H new ATOM 0 HB3 SER B 29 138.319 5.269 -4.034 1.00 0.83 H new ATOM 0 HG SER B 29 139.635 5.894 -2.288 1.00 1.24 H new ATOM 1919 N VAL B 30 137.973 4.785 -6.519 1.00 0.70 N ATOM 1920 CA VAL B 30 137.701 3.609 -7.384 1.00 0.72 C ATOM 1921 C VAL B 30 137.263 4.114 -8.760 1.00 0.75 C ATOM 1922 O VAL B 30 136.199 4.678 -8.903 1.00 0.79 O ATOM 1923 CB VAL B 30 136.568 2.856 -6.687 1.00 0.76 C ATOM 1924 CG1 VAL B 30 136.391 1.479 -7.330 1.00 0.85 C ATOM 1925 CG2 VAL B 30 136.911 2.690 -5.206 1.00 0.83 C ATOM 0 H VAL B 30 137.151 5.208 -6.088 1.00 0.70 H new ATOM 0 HA VAL B 30 138.567 2.963 -7.527 1.00 0.72 H new ATOM 0 HB VAL B 30 135.640 3.419 -6.788 1.00 0.76 H new ATOM 0 HG11 VAL B 30 135.582 0.945 -6.830 1.00 0.85 H new ATOM 0 HG12 VAL B 30 136.149 1.599 -8.386 1.00 0.85 H new ATOM 0 HG13 VAL B 30 137.316 0.910 -7.232 1.00 0.85 H new ATOM 0 HG21 VAL B 30 136.106 2.153 -4.704 1.00 0.83 H new ATOM 0 HG22 VAL B 30 137.839 2.126 -5.108 1.00 0.83 H new ATOM 0 HG23 VAL B 30 137.033 3.672 -4.749 1.00 0.83 H new ATOM 2095 N GLN B 42 128.546 3.390 -2.483 1.00 0.77 N ATOM 2096 CA GLN B 42 129.221 2.585 -3.533 1.00 0.96 C ATOM 2097 C GLN B 42 130.744 2.644 -3.366 1.00 0.95 C ATOM 2098 O GLN B 42 131.435 1.654 -3.547 1.00 1.18 O ATOM 2099 CB GLN B 42 128.789 3.216 -4.845 1.00 1.18 C ATOM 2100 CG GLN B 42 129.022 4.723 -4.804 1.00 1.42 C ATOM 2101 CD GLN B 42 128.783 5.290 -6.197 1.00 1.68 C ATOM 2102 OE1 GLN B 42 129.196 4.614 -7.232 1.00 2.48 O flip ATOM 2103 NE2 GLN B 42 128.217 6.354 -6.348 1.00 1.73 N flip ATOM 0 HA GLN B 42 128.952 1.530 -3.482 1.00 0.96 H new ATOM 0 HB2 GLN B 42 129.348 2.776 -5.671 1.00 1.18 H new ATOM 0 HB3 GLN B 42 127.735 3.008 -5.028 1.00 1.18 H new ATOM 0 HG2 GLN B 42 128.349 5.190 -4.085 1.00 1.42 H new ATOM 0 HG3 GLN B 42 130.039 4.940 -4.477 1.00 1.42 H new ATOM 0 HE21 GLN B 42 127.895 6.880 -5.536 1.00 1.73 H new ATOM 0 HE22 GLN B 42 128.063 6.721 -7.287 1.00 1.73 H new ATOM 2112 N ILE B 43 131.283 3.778 -2.994 1.00 0.85 N ATOM 2113 CA ILE B 43 132.762 3.836 -2.807 1.00 0.92 C ATOM 2114 C ILE B 43 133.103 3.132 -1.502 1.00 0.82 C ATOM 2115 O ILE B 43 134.177 2.599 -1.327 1.00 0.75 O ATOM 2116 CB ILE B 43 133.173 5.316 -2.743 1.00 1.18 C ATOM 2117 CG1 ILE B 43 132.193 6.196 -3.526 1.00 1.66 C ATOM 2118 CG2 ILE B 43 134.562 5.459 -3.363 1.00 1.84 C ATOM 2119 CD1 ILE B 43 131.176 6.818 -2.565 1.00 2.40 C ATOM 0 H ILE B 43 130.777 4.645 -2.816 1.00 0.85 H new ATOM 0 HA ILE B 43 133.291 3.348 -3.626 1.00 0.92 H new ATOM 0 HB ILE B 43 133.171 5.636 -1.701 1.00 1.18 H new ATOM 0 HG12 ILE B 43 132.736 6.980 -4.054 1.00 1.66 H new ATOM 0 HG13 ILE B 43 131.678 5.601 -4.280 1.00 1.66 H new ATOM 0 HG21 ILE B 43 134.871 6.504 -3.327 1.00 1.84 H new ATOM 0 HG22 ILE B 43 135.274 4.850 -2.805 1.00 1.84 H new ATOM 0 HG23 ILE B 43 134.534 5.125 -4.400 1.00 1.84 H new ATOM 0 HD11 ILE B 43 130.481 7.443 -3.125 1.00 2.40 H new ATOM 0 HD12 ILE B 43 130.624 6.027 -2.057 1.00 2.40 H new ATOM 0 HD13 ILE B 43 131.698 7.427 -1.827 1.00 2.40 H new ATOM 2131 N LEU B 44 132.171 3.111 -0.593 1.00 0.90 N ATOM 2132 CA LEU B 44 132.401 2.424 0.702 1.00 0.90 C ATOM 2133 C LEU B 44 132.442 0.918 0.461 1.00 0.79 C ATOM 2134 O LEU B 44 133.293 0.217 0.973 1.00 0.73 O ATOM 2135 CB LEU B 44 131.205 2.819 1.563 1.00 0.99 C ATOM 2136 CG LEU B 44 131.086 4.343 1.564 1.00 0.91 C ATOM 2137 CD1 LEU B 44 130.065 4.786 2.610 1.00 0.84 C ATOM 2138 CD2 LEU B 44 132.451 4.955 1.894 1.00 1.55 C ATOM 0 H LEU B 44 131.253 3.544 -0.694 1.00 0.90 H new ATOM 0 HA LEU B 44 133.341 2.697 1.182 1.00 0.90 H new ATOM 0 HB2 LEU B 44 130.293 2.369 1.172 1.00 0.99 H new ATOM 0 HB3 LEU B 44 131.333 2.449 2.580 1.00 0.99 H new ATOM 0 HG LEU B 44 130.758 4.679 0.580 1.00 0.91 H new ATOM 0 HD11 LEU B 44 129.986 5.873 2.604 1.00 0.84 H new ATOM 0 HD12 LEU B 44 129.093 4.351 2.377 1.00 0.84 H new ATOM 0 HD13 LEU B 44 130.386 4.451 3.596 1.00 0.84 H new ATOM 0 HD21 LEU B 44 132.371 6.042 1.896 1.00 1.55 H new ATOM 0 HD22 LEU B 44 132.775 4.613 2.877 1.00 1.55 H new ATOM 0 HD23 LEU B 44 133.179 4.646 1.144 1.00 1.55 H new ATOM 2150 N ASP B 45 131.543 0.418 -0.342 1.00 0.91 N ATOM 2151 CA ASP B 45 131.552 -1.037 -0.642 1.00 0.87 C ATOM 2152 C ASP B 45 132.948 -1.419 -1.128 1.00 0.73 C ATOM 2153 O ASP B 45 133.541 -2.379 -0.672 1.00 0.66 O ATOM 2154 CB ASP B 45 130.519 -1.221 -1.755 1.00 1.04 C ATOM 2155 CG ASP B 45 130.282 -2.713 -1.992 1.00 1.80 C ATOM 2156 OD1 ASP B 45 129.478 -3.285 -1.274 1.00 2.49 O ATOM 2157 OD2 ASP B 45 130.907 -3.258 -2.887 1.00 2.42 O ATOM 0 H ASP B 45 130.806 0.954 -0.801 1.00 0.91 H new ATOM 0 HA ASP B 45 131.314 -1.659 0.221 1.00 0.87 H new ATOM 0 HB2 ASP B 45 129.584 -0.733 -1.481 1.00 1.04 H new ATOM 0 HB3 ASP B 45 130.869 -0.748 -2.672 1.00 1.04 H new ATOM 2162 N LYS B 46 133.489 -0.654 -2.037 1.00 0.78 N ATOM 2163 CA LYS B 46 134.859 -0.957 -2.535 1.00 0.75 C ATOM 2164 C LYS B 46 135.897 -0.438 -1.534 1.00 0.65 C ATOM 2165 O LYS B 46 136.898 -1.075 -1.278 1.00 0.75 O ATOM 2166 CB LYS B 46 134.976 -0.219 -3.869 1.00 0.90 C ATOM 2167 CG LYS B 46 135.651 -1.131 -4.897 1.00 1.35 C ATOM 2168 CD LYS B 46 134.633 -1.546 -5.961 1.00 1.43 C ATOM 2169 CE LYS B 46 135.189 -2.720 -6.771 1.00 1.86 C ATOM 2170 NZ LYS B 46 135.217 -2.238 -8.180 1.00 2.14 N ATOM 0 H LYS B 46 133.044 0.163 -2.454 1.00 0.78 H new ATOM 0 HA LYS B 46 135.033 -2.026 -2.655 1.00 0.75 H new ATOM 0 HB2 LYS B 46 133.988 0.076 -4.222 1.00 0.90 H new ATOM 0 HB3 LYS B 46 135.555 0.695 -3.742 1.00 0.90 H new ATOM 0 HG2 LYS B 46 136.489 -0.613 -5.363 1.00 1.35 H new ATOM 0 HG3 LYS B 46 136.057 -2.014 -4.404 1.00 1.35 H new ATOM 0 HD2 LYS B 46 133.693 -1.830 -5.488 1.00 1.43 H new ATOM 0 HD3 LYS B 46 134.417 -0.705 -6.620 1.00 1.43 H new ATOM 0 HE2 LYS B 46 136.186 -2.998 -6.429 1.00 1.86 H new ATOM 0 HE3 LYS B 46 134.559 -3.604 -6.669 1.00 1.86 H new ATOM 0 HZ1 LYS B 46 135.587 -2.989 -8.797 1.00 2.14 H new ATOM 0 HZ2 LYS B 46 134.253 -1.987 -8.480 1.00 2.14 H new ATOM 0 HZ3 LYS B 46 135.830 -1.401 -8.248 1.00 2.14 H new ATOM 2184 N ALA B 47 135.663 0.710 -0.957 1.00 0.57 N ATOM 2185 CA ALA B 47 136.640 1.251 0.034 1.00 0.61 C ATOM 2186 C ALA B 47 136.877 0.218 1.135 1.00 0.68 C ATOM 2187 O ALA B 47 137.988 0.016 1.583 1.00 0.71 O ATOM 2188 CB ALA B 47 135.988 2.505 0.613 1.00 0.67 C ATOM 0 H ALA B 47 134.844 1.294 -1.127 1.00 0.57 H new ATOM 0 HA ALA B 47 137.605 1.477 -0.420 1.00 0.61 H new ATOM 0 HB1 ALA B 47 136.654 2.954 1.350 1.00 0.67 H new ATOM 0 HB2 ALA B 47 135.799 3.220 -0.188 1.00 0.67 H new ATOM 0 HB3 ALA B 47 135.046 2.238 1.091 1.00 0.67 H new ATOM 2194 N THR B 48 135.839 -0.443 1.569 1.00 0.77 N ATOM 2195 CA THR B 48 136.001 -1.470 2.636 1.00 0.92 C ATOM 2196 C THR B 48 136.734 -2.691 2.074 1.00 0.85 C ATOM 2197 O THR B 48 137.578 -3.273 2.726 1.00 0.91 O ATOM 2198 CB THR B 48 134.578 -1.844 3.053 1.00 1.09 C ATOM 2199 OG1 THR B 48 133.770 -0.676 3.083 1.00 2.02 O ATOM 2200 CG2 THR B 48 134.604 -2.485 4.442 1.00 1.20 C ATOM 0 H THR B 48 134.885 -0.316 1.230 1.00 0.77 H new ATOM 0 HA THR B 48 136.585 -1.103 3.480 1.00 0.92 H new ATOM 0 HB THR B 48 134.164 -2.552 2.335 1.00 1.09 H new ATOM 0 HG1 THR B 48 133.280 -0.596 2.238 1.00 2.02 H new ATOM 0 HG21 THR B 48 133.590 -2.751 4.739 1.00 1.20 H new ATOM 0 HG22 THR B 48 135.222 -3.382 4.417 1.00 1.20 H new ATOM 0 HG23 THR B 48 135.019 -1.779 5.161 1.00 1.20 H new ATOM 2208 N GLU B 49 136.422 -3.083 0.867 1.00 0.78 N ATOM 2209 CA GLU B 49 137.113 -4.265 0.276 1.00 0.81 C ATOM 2210 C GLU B 49 138.585 -3.923 0.010 1.00 0.70 C ATOM 2211 O GLU B 49 139.461 -4.750 0.159 1.00 0.72 O ATOM 2212 CB GLU B 49 136.346 -4.574 -1.025 1.00 0.83 C ATOM 2213 CG GLU B 49 137.046 -3.952 -2.240 1.00 1.22 C ATOM 2214 CD GLU B 49 138.235 -4.825 -2.645 1.00 1.67 C ATOM 2215 OE1 GLU B 49 138.367 -5.905 -2.092 1.00 2.27 O ATOM 2216 OE2 GLU B 49 138.994 -4.399 -3.500 1.00 2.27 O ATOM 0 H GLU B 49 135.724 -2.640 0.269 1.00 0.78 H new ATOM 0 HA GLU B 49 137.115 -5.132 0.937 1.00 0.81 H new ATOM 0 HB2 GLU B 49 136.270 -5.653 -1.158 1.00 0.83 H new ATOM 0 HB3 GLU B 49 135.329 -4.189 -0.951 1.00 0.83 H new ATOM 0 HG2 GLU B 49 136.346 -3.864 -3.071 1.00 1.22 H new ATOM 0 HG3 GLU B 49 137.386 -2.944 -2.001 1.00 1.22 H new ATOM 2223 N TYR B 50 138.859 -2.707 -0.375 1.00 0.70 N ATOM 2224 CA TYR B 50 140.270 -2.309 -0.644 1.00 0.67 C ATOM 2225 C TYR B 50 141.089 -2.364 0.649 1.00 0.61 C ATOM 2226 O TYR B 50 141.924 -3.228 0.829 1.00 0.58 O ATOM 2227 CB TYR B 50 140.185 -0.873 -1.162 1.00 0.88 C ATOM 2228 CG TYR B 50 140.182 -0.878 -2.673 1.00 0.71 C ATOM 2229 CD1 TYR B 50 141.238 -1.473 -3.374 1.00 1.56 C ATOM 2230 CD2 TYR B 50 139.124 -0.286 -3.372 1.00 1.38 C ATOM 2231 CE1 TYR B 50 141.234 -1.477 -4.774 1.00 1.86 C ATOM 2232 CE2 TYR B 50 139.120 -0.290 -4.772 1.00 1.82 C ATOM 2233 CZ TYR B 50 140.175 -0.886 -5.473 1.00 1.72 C ATOM 2234 OH TYR B 50 140.171 -0.890 -6.853 1.00 2.36 O ATOM 0 H TYR B 50 138.167 -1.971 -0.515 1.00 0.70 H new ATOM 0 HA TYR B 50 140.757 -2.972 -1.359 1.00 0.67 H new ATOM 0 HB2 TYR B 50 139.280 -0.394 -0.788 1.00 0.88 H new ATOM 0 HB3 TYR B 50 141.030 -0.292 -0.792 1.00 0.88 H new ATOM 0 HD1 TYR B 50 142.055 -1.929 -2.835 1.00 1.56 H new ATOM 0 HD2 TYR B 50 138.310 0.174 -2.831 1.00 1.38 H new ATOM 0 HE1 TYR B 50 142.048 -1.936 -5.315 1.00 1.86 H new ATOM 0 HE2 TYR B 50 138.303 0.167 -5.311 1.00 1.82 H new ATOM 0 HH TYR B 50 139.364 -0.440 -7.179 1.00 2.36 H new ATOM 2244 N ILE B 51 140.856 -1.445 1.549 1.00 0.70 N ATOM 2245 CA ILE B 51 141.619 -1.437 2.832 1.00 0.76 C ATOM 2246 C ILE B 51 141.800 -2.865 3.355 1.00 0.70 C ATOM 2247 O ILE B 51 142.834 -3.212 3.893 1.00 0.76 O ATOM 2248 CB ILE B 51 140.764 -0.615 3.797 1.00 0.98 C ATOM 2249 CG1 ILE B 51 140.888 0.871 3.447 1.00 1.05 C ATOM 2250 CG2 ILE B 51 141.251 -0.844 5.230 1.00 1.33 C ATOM 2251 CD1 ILE B 51 139.776 1.660 4.141 1.00 0.74 C ATOM 0 H ILE B 51 140.169 -0.698 1.451 1.00 0.70 H new ATOM 0 HA ILE B 51 142.618 -1.017 2.713 1.00 0.76 H new ATOM 0 HB ILE B 51 139.722 -0.923 3.714 1.00 0.98 H new ATOM 0 HG12 ILE B 51 141.862 1.247 3.758 1.00 1.05 H new ATOM 0 HG13 ILE B 51 140.824 1.007 2.367 1.00 1.05 H new ATOM 0 HG21 ILE B 51 140.642 -0.259 5.919 1.00 1.33 H new ATOM 0 HG22 ILE B 51 141.165 -1.902 5.479 1.00 1.33 H new ATOM 0 HG23 ILE B 51 142.293 -0.535 5.314 1.00 1.33 H new ATOM 0 HD11 ILE B 51 139.868 2.717 3.889 1.00 0.74 H new ATOM 0 HD12 ILE B 51 138.806 1.291 3.808 1.00 0.74 H new ATOM 0 HD13 ILE B 51 139.861 1.535 5.221 1.00 0.74 H new ATOM 2263 N GLN B 52 140.806 -3.696 3.201 1.00 0.69 N ATOM 2264 CA GLN B 52 140.927 -5.100 3.690 1.00 0.73 C ATOM 2265 C GLN B 52 141.776 -5.924 2.719 1.00 0.67 C ATOM 2266 O GLN B 52 142.922 -6.228 2.986 1.00 0.74 O ATOM 2267 CB GLN B 52 139.493 -5.632 3.734 1.00 0.83 C ATOM 2268 CG GLN B 52 138.677 -4.817 4.739 1.00 1.34 C ATOM 2269 CD GLN B 52 139.272 -4.987 6.139 1.00 1.77 C ATOM 2270 OE1 GLN B 52 140.204 -5.743 6.328 1.00 2.49 O ATOM 2271 NE2 GLN B 52 138.767 -4.312 7.135 1.00 1.98 N ATOM 0 H GLN B 52 139.916 -3.465 2.759 1.00 0.69 H new ATOM 0 HA GLN B 52 141.411 -5.158 4.665 1.00 0.73 H new ATOM 0 HB2 GLN B 52 139.040 -5.568 2.745 1.00 0.83 H new ATOM 0 HB3 GLN B 52 139.493 -6.684 4.018 1.00 0.83 H new ATOM 0 HG2 GLN B 52 138.680 -3.764 4.457 1.00 1.34 H new ATOM 0 HG3 GLN B 52 137.638 -5.146 4.732 1.00 1.34 H new ATOM 0 HE21 GLN B 52 137.985 -3.677 6.976 1.00 1.98 H new ATOM 0 HE22 GLN B 52 139.155 -4.419 8.072 1.00 1.98 H new ATOM 2280 N TYR B 53 141.225 -6.285 1.592 1.00 0.62 N ATOM 2281 CA TYR B 53 142.004 -7.086 0.606 1.00 0.65 C ATOM 2282 C TYR B 53 143.313 -6.355 0.267 1.00 0.62 C ATOM 2283 O TYR B 53 144.389 -6.904 0.394 1.00 0.75 O ATOM 2284 CB TYR B 53 141.068 -7.222 -0.613 1.00 0.69 C ATOM 2285 CG TYR B 53 141.769 -6.822 -1.896 1.00 0.75 C ATOM 2286 CD1 TYR B 53 142.507 -7.769 -2.617 1.00 1.42 C ATOM 2287 CD2 TYR B 53 141.676 -5.505 -2.361 1.00 1.43 C ATOM 2288 CE1 TYR B 53 143.152 -7.397 -3.802 1.00 1.48 C ATOM 2289 CE2 TYR B 53 142.321 -5.134 -3.546 1.00 1.48 C ATOM 2290 CZ TYR B 53 143.059 -6.080 -4.267 1.00 0.93 C ATOM 2291 OH TYR B 53 143.695 -5.715 -5.436 1.00 1.04 O ATOM 0 H TYR B 53 140.270 -6.060 1.312 1.00 0.62 H new ATOM 0 HA TYR B 53 142.299 -8.068 0.976 1.00 0.65 H new ATOM 0 HB2 TYR B 53 140.719 -8.252 -0.693 1.00 0.69 H new ATOM 0 HB3 TYR B 53 140.187 -6.597 -0.468 1.00 0.69 H new ATOM 0 HD1 TYR B 53 142.578 -8.785 -2.259 1.00 1.42 H new ATOM 0 HD2 TYR B 53 141.106 -4.775 -1.805 1.00 1.43 H new ATOM 0 HE1 TYR B 53 143.722 -8.127 -4.358 1.00 1.48 H new ATOM 0 HE2 TYR B 53 142.249 -4.118 -3.904 1.00 1.48 H new ATOM 0 HH TYR B 53 143.528 -4.766 -5.617 1.00 1.04 H new ATOM 2301 N MET B 54 143.230 -5.122 -0.157 1.00 0.54 N ATOM 2302 CA MET B 54 144.474 -4.371 -0.492 1.00 0.57 C ATOM 2303 C MET B 54 145.515 -4.586 0.608 1.00 0.52 C ATOM 2304 O MET B 54 146.665 -4.872 0.341 1.00 0.51 O ATOM 2305 CB MET B 54 144.054 -2.901 -0.556 1.00 0.70 C ATOM 2306 CG MET B 54 144.985 -2.145 -1.506 1.00 0.94 C ATOM 2307 SD MET B 54 144.213 -0.581 -1.990 1.00 0.96 S ATOM 2308 CE MET B 54 144.287 -0.835 -3.780 1.00 0.77 C ATOM 0 H MET B 54 142.360 -4.605 -0.285 1.00 0.54 H new ATOM 0 HA MET B 54 144.920 -4.700 -1.431 1.00 0.57 H new ATOM 0 HB2 MET B 54 143.023 -2.821 -0.900 1.00 0.70 H new ATOM 0 HB3 MET B 54 144.093 -2.457 0.439 1.00 0.70 H new ATOM 0 HG2 MET B 54 145.942 -1.955 -1.020 1.00 0.94 H new ATOM 0 HG3 MET B 54 145.190 -2.750 -2.389 1.00 0.94 H new ATOM 0 HE1 MET B 54 143.658 -0.097 -4.278 1.00 0.77 H new ATOM 0 HE2 MET B 54 145.316 -0.724 -4.121 1.00 0.77 H new ATOM 0 HE3 MET B 54 143.931 -1.837 -4.020 1.00 0.77 H new ATOM 2318 N ARG B 55 145.116 -4.460 1.845 1.00 0.57 N ATOM 2319 CA ARG B 55 146.080 -4.670 2.962 1.00 0.58 C ATOM 2320 C ARG B 55 146.577 -6.117 2.944 1.00 0.56 C ATOM 2321 O ARG B 55 147.757 -6.382 3.068 1.00 0.58 O ATOM 2322 CB ARG B 55 145.283 -4.391 4.236 1.00 0.69 C ATOM 2323 CG ARG B 55 146.164 -4.654 5.459 1.00 0.77 C ATOM 2324 CD ARG B 55 145.653 -5.890 6.202 1.00 1.42 C ATOM 2325 NE ARG B 55 145.080 -5.365 7.472 1.00 1.43 N ATOM 2326 CZ ARG B 55 144.514 -6.180 8.319 1.00 1.84 C ATOM 2327 NH1 ARG B 55 143.700 -7.105 7.889 1.00 2.35 N ATOM 2328 NH2 ARG B 55 144.761 -6.070 9.597 1.00 2.53 N ATOM 0 H ARG B 55 144.166 -4.221 2.129 1.00 0.57 H new ATOM 0 HA ARG B 55 146.955 -4.024 2.887 1.00 0.58 H new ATOM 0 HB2 ARG B 55 144.935 -3.358 4.241 1.00 0.69 H new ATOM 0 HB3 ARG B 55 144.397 -5.026 4.270 1.00 0.69 H new ATOM 0 HG2 ARG B 55 147.198 -4.805 5.149 1.00 0.77 H new ATOM 0 HG3 ARG B 55 146.153 -3.788 6.121 1.00 0.77 H new ATOM 0 HD2 ARG B 55 144.900 -6.419 5.618 1.00 1.42 H new ATOM 0 HD3 ARG B 55 146.460 -6.596 6.395 1.00 1.42 H new ATOM 0 HE ARG B 55 145.130 -4.368 7.680 1.00 1.43 H new ATOM 0 HH11 ARG B 55 143.507 -7.190 6.891 1.00 2.35 H new ATOM 0 HH12 ARG B 55 143.257 -7.742 8.551 1.00 2.35 H new ATOM 0 HH21 ARG B 55 145.397 -5.347 9.933 1.00 2.53 H new ATOM 0 HH22 ARG B 55 144.318 -6.707 10.259 1.00 2.53 H new ATOM 2342 N ARG B 56 145.684 -7.055 2.780 1.00 0.57 N ATOM 2343 CA ARG B 56 146.102 -8.484 2.744 1.00 0.59 C ATOM 2344 C ARG B 56 147.203 -8.673 1.698 1.00 0.53 C ATOM 2345 O ARG B 56 148.205 -9.315 1.944 1.00 0.58 O ATOM 2346 CB ARG B 56 144.843 -9.255 2.344 1.00 0.67 C ATOM 2347 CG ARG B 56 144.594 -10.383 3.347 1.00 1.04 C ATOM 2348 CD ARG B 56 145.284 -11.659 2.861 1.00 1.63 C ATOM 2349 NE ARG B 56 145.150 -12.621 3.990 1.00 2.02 N ATOM 2350 CZ ARG B 56 145.172 -13.905 3.760 1.00 2.50 C ATOM 2351 NH1 ARG B 56 145.976 -14.392 2.854 1.00 3.10 N ATOM 2352 NH2 ARG B 56 144.392 -14.704 4.435 1.00 2.99 N ATOM 0 H ARG B 56 144.683 -6.893 2.669 1.00 0.57 H new ATOM 0 HA ARG B 56 146.500 -8.828 3.698 1.00 0.59 H new ATOM 0 HB2 ARG B 56 143.985 -8.583 2.317 1.00 0.67 H new ATOM 0 HB3 ARG B 56 144.958 -9.665 1.341 1.00 0.67 H new ATOM 0 HG2 ARG B 56 144.975 -10.102 4.329 1.00 1.04 H new ATOM 0 HG3 ARG B 56 143.523 -10.555 3.458 1.00 1.04 H new ATOM 0 HD2 ARG B 56 144.812 -12.043 1.957 1.00 1.63 H new ATOM 0 HD3 ARG B 56 146.331 -11.475 2.621 1.00 1.63 H new ATOM 0 HE ARG B 56 145.041 -12.276 4.944 1.00 2.02 H new ATOM 0 HH11 ARG B 56 146.587 -13.769 2.326 1.00 3.10 H new ATOM 0 HH12 ARG B 56 145.993 -15.396 2.674 1.00 3.10 H new ATOM 0 HH21 ARG B 56 143.764 -14.325 5.144 1.00 2.99 H new ATOM 0 HH22 ARG B 56 144.410 -15.708 4.254 1.00 2.99 H new ATOM 2366 N LYS B 57 147.024 -8.112 0.533 1.00 0.51 N ATOM 2367 CA LYS B 57 148.060 -8.251 -0.529 1.00 0.53 C ATOM 2368 C LYS B 57 149.407 -7.739 -0.013 1.00 0.50 C ATOM 2369 O LYS B 57 150.406 -8.425 -0.073 1.00 0.54 O ATOM 2370 CB LYS B 57 147.562 -7.381 -1.684 1.00 0.60 C ATOM 2371 CG LYS B 57 146.752 -8.238 -2.658 1.00 0.93 C ATOM 2372 CD LYS B 57 147.705 -9.060 -3.528 1.00 0.84 C ATOM 2373 CE LYS B 57 147.157 -10.479 -3.686 1.00 1.28 C ATOM 2374 NZ LYS B 57 146.024 -10.348 -4.644 1.00 1.52 N ATOM 0 H LYS B 57 146.205 -7.563 0.271 1.00 0.51 H new ATOM 0 HA LYS B 57 148.206 -9.287 -0.835 1.00 0.53 H new ATOM 0 HB2 LYS B 57 146.946 -6.567 -1.301 1.00 0.60 H new ATOM 0 HB3 LYS B 57 148.407 -6.925 -2.200 1.00 0.60 H new ATOM 0 HG2 LYS B 57 146.083 -8.899 -2.107 1.00 0.93 H new ATOM 0 HG3 LYS B 57 146.127 -7.602 -3.285 1.00 0.93 H new ATOM 0 HD2 LYS B 57 147.817 -8.591 -4.506 1.00 0.84 H new ATOM 0 HD3 LYS B 57 148.695 -9.090 -3.073 1.00 0.84 H new ATOM 0 HE2 LYS B 57 147.920 -11.157 -4.067 1.00 1.28 H new ATOM 0 HE3 LYS B 57 146.822 -10.882 -2.730 1.00 1.28 H new ATOM 0 HZ1 LYS B 57 145.174 -10.790 -4.239 1.00 1.52 H new ATOM 0 HZ2 LYS B 57 145.838 -9.341 -4.826 1.00 1.52 H new ATOM 0 HZ3 LYS B 57 146.268 -10.822 -5.537 1.00 1.52 H new ATOM 2388 N VAL B 58 149.440 -6.538 0.496 1.00 0.52 N ATOM 2389 CA VAL B 58 150.722 -5.987 1.019 1.00 0.60 C ATOM 2390 C VAL B 58 151.407 -7.018 1.918 1.00 0.61 C ATOM 2391 O VAL B 58 152.526 -7.423 1.674 1.00 0.74 O ATOM 2392 CB VAL B 58 150.321 -4.753 1.827 1.00 0.71 C ATOM 2393 CG1 VAL B 58 151.572 -4.106 2.425 1.00 0.86 C ATOM 2394 CG2 VAL B 58 149.618 -3.749 0.910 1.00 0.76 C ATOM 0 H VAL B 58 148.636 -5.915 0.572 1.00 0.52 H new ATOM 0 HA VAL B 58 151.424 -5.741 0.223 1.00 0.60 H new ATOM 0 HB VAL B 58 149.645 -5.049 2.629 1.00 0.71 H new ATOM 0 HG11 VAL B 58 151.286 -3.226 3.001 1.00 0.86 H new ATOM 0 HG12 VAL B 58 152.074 -4.820 3.078 1.00 0.86 H new ATOM 0 HG13 VAL B 58 152.248 -3.811 1.622 1.00 0.86 H new ATOM 0 HG21 VAL B 58 149.332 -2.869 1.486 1.00 0.76 H new ATOM 0 HG22 VAL B 58 150.294 -3.454 0.108 1.00 0.76 H new ATOM 0 HG23 VAL B 58 148.727 -4.209 0.483 1.00 0.76 H new ATOM 2404 N HIS B 59 150.744 -7.450 2.956 1.00 0.57 N ATOM 2405 CA HIS B 59 151.359 -8.457 3.865 1.00 0.67 C ATOM 2406 C HIS B 59 151.971 -9.597 3.047 1.00 0.63 C ATOM 2407 O HIS B 59 153.168 -9.803 3.051 1.00 0.71 O ATOM 2408 CB HIS B 59 150.204 -8.973 4.724 1.00 0.75 C ATOM 2409 CG HIS B 59 150.685 -9.196 6.132 1.00 0.96 C ATOM 2410 ND1 HIS B 59 150.734 -10.457 6.704 1.00 1.53 N ATOM 2411 CD2 HIS B 59 151.143 -8.330 7.095 1.00 1.68 C ATOM 2412 CE1 HIS B 59 151.205 -10.317 7.956 1.00 1.83 C ATOM 2413 NE2 HIS B 59 151.470 -9.040 8.246 1.00 1.96 N ATOM 0 H HIS B 59 149.804 -7.149 3.213 1.00 0.57 H new ATOM 0 HA HIS B 59 152.159 -8.034 4.472 1.00 0.67 H new ATOM 0 HB2 HIS B 59 149.384 -8.255 4.718 1.00 0.75 H new ATOM 0 HB3 HIS B 59 149.816 -9.903 4.309 1.00 0.75 H new ATOM 0 HD2 HIS B 59 151.235 -7.260 6.977 1.00 1.68 H new ATOM 0 HE1 HIS B 59 151.351 -11.137 8.643 1.00 1.83 H new ATOM 0 HE2 HIS B 59 151.834 -8.666 9.123 1.00 1.96 H new ATOM 2421 N THR B 60 151.160 -10.336 2.342 1.00 0.59 N ATOM 2422 CA THR B 60 151.701 -11.458 1.523 1.00 0.64 C ATOM 2423 C THR B 60 152.734 -10.925 0.529 1.00 0.59 C ATOM 2424 O THR B 60 153.740 -11.555 0.265 1.00 0.67 O ATOM 2425 CB THR B 60 150.490 -12.029 0.784 1.00 0.69 C ATOM 2426 OG1 THR B 60 149.798 -10.976 0.129 1.00 0.74 O ATOM 2427 CG2 THR B 60 149.558 -12.714 1.784 1.00 0.84 C ATOM 0 H THR B 60 150.149 -10.212 2.297 1.00 0.59 H new ATOM 0 HA THR B 60 152.199 -12.214 2.130 1.00 0.64 H new ATOM 0 HB THR B 60 150.823 -12.758 0.045 1.00 0.69 H new ATOM 0 HG1 THR B 60 150.160 -10.114 0.423 1.00 0.74 H new ATOM 0 HG21 THR B 60 148.695 -13.121 1.257 1.00 0.84 H new ATOM 0 HG22 THR B 60 150.092 -13.522 2.284 1.00 0.84 H new ATOM 0 HG23 THR B 60 149.222 -11.988 2.524 1.00 0.84 H new ATOM 2435 N LEU B 61 152.495 -9.766 -0.021 1.00 0.52 N ATOM 2436 CA LEU B 61 153.465 -9.189 -0.993 1.00 0.55 C ATOM 2437 C LEU B 61 154.830 -9.018 -0.325 1.00 0.52 C ATOM 2438 O LEU B 61 155.731 -9.808 -0.524 1.00 0.51 O ATOM 2439 CB LEU B 61 152.882 -7.829 -1.382 1.00 0.60 C ATOM 2440 CG LEU B 61 152.033 -7.978 -2.646 1.00 0.73 C ATOM 2441 CD1 LEU B 61 151.177 -6.725 -2.838 1.00 1.05 C ATOM 2442 CD2 LEU B 61 152.952 -8.157 -3.858 1.00 1.06 C ATOM 0 H LEU B 61 151.670 -9.194 0.161 1.00 0.52 H new ATOM 0 HA LEU B 61 153.611 -9.828 -1.864 1.00 0.55 H new ATOM 0 HB2 LEU B 61 152.274 -7.436 -0.567 1.00 0.60 H new ATOM 0 HB3 LEU B 61 153.686 -7.113 -1.554 1.00 0.60 H new ATOM 0 HG LEU B 61 151.385 -8.849 -2.547 1.00 0.73 H new ATOM 0 HD11 LEU B 61 150.572 -6.832 -3.739 1.00 1.05 H new ATOM 0 HD12 LEU B 61 150.523 -6.595 -1.975 1.00 1.05 H new ATOM 0 HD13 LEU B 61 151.824 -5.854 -2.937 1.00 1.05 H new ATOM 0 HD21 LEU B 61 152.349 -8.263 -4.760 1.00 1.06 H new ATOM 0 HD22 LEU B 61 153.600 -7.286 -3.955 1.00 1.06 H new ATOM 0 HD23 LEU B 61 153.563 -9.050 -3.723 1.00 1.06 H new ATOM 2454 N GLN B 62 154.989 -7.994 0.471 1.00 0.53 N ATOM 2455 CA GLN B 62 156.297 -7.779 1.154 1.00 0.56 C ATOM 2456 C GLN B 62 156.840 -9.109 1.678 1.00 0.56 C ATOM 2457 O GLN B 62 158.033 -9.292 1.814 1.00 0.56 O ATOM 2458 CB GLN B 62 155.994 -6.825 2.311 1.00 0.62 C ATOM 2459 CG GLN B 62 157.237 -5.986 2.615 1.00 0.69 C ATOM 2460 CD GLN B 62 156.849 -4.509 2.696 1.00 1.06 C ATOM 2461 OE1 GLN B 62 155.808 -4.170 3.223 1.00 1.52 O ATOM 2462 NE2 GLN B 62 157.647 -3.608 2.190 1.00 1.26 N ATOM 0 H GLN B 62 154.271 -7.299 0.677 1.00 0.53 H new ATOM 0 HA GLN B 62 157.052 -7.370 0.482 1.00 0.56 H new ATOM 0 HB2 GLN B 62 155.158 -6.176 2.052 1.00 0.62 H new ATOM 0 HB3 GLN B 62 155.698 -7.390 3.195 1.00 0.62 H new ATOM 0 HG2 GLN B 62 157.684 -6.307 3.556 1.00 0.69 H new ATOM 0 HG3 GLN B 62 157.987 -6.134 1.838 1.00 0.69 H new ATOM 0 HE21 GLN B 62 158.521 -3.892 1.747 1.00 1.26 H new ATOM 0 HE22 GLN B 62 157.396 -2.620 2.237 1.00 1.26 H new ATOM 2471 N GLN B 63 155.975 -10.042 1.966 1.00 0.57 N ATOM 2472 CA GLN B 63 156.448 -11.361 2.471 1.00 0.61 C ATOM 2473 C GLN B 63 157.371 -12.007 1.436 1.00 0.57 C ATOM 2474 O GLN B 63 158.425 -12.518 1.761 1.00 0.58 O ATOM 2475 CB GLN B 63 155.179 -12.194 2.660 1.00 0.65 C ATOM 2476 CG GLN B 63 155.202 -12.853 4.041 1.00 0.79 C ATOM 2477 CD GLN B 63 154.316 -12.059 5.002 1.00 1.08 C ATOM 2478 OE1 GLN B 63 154.401 -10.757 5.025 1.00 1.50 O flip ATOM 2479 NE2 GLN B 63 153.538 -12.630 5.742 1.00 1.50 N flip ATOM 0 H GLN B 63 154.964 -9.948 1.874 1.00 0.57 H new ATOM 0 HA GLN B 63 157.014 -11.276 3.399 1.00 0.61 H new ATOM 0 HB2 GLN B 63 154.297 -11.560 2.562 1.00 0.65 H new ATOM 0 HB3 GLN B 63 155.112 -12.955 1.883 1.00 0.65 H new ATOM 0 HG2 GLN B 63 154.849 -13.882 3.970 1.00 0.79 H new ATOM 0 HG3 GLN B 63 156.223 -12.892 4.420 1.00 0.79 H new ATOM 0 HE21 GLN B 63 153.471 -13.648 5.724 1.00 1.50 H new ATOM 0 HE22 GLN B 63 152.952 -12.091 6.380 1.00 1.50 H new ATOM 2488 N ASP B 64 156.987 -11.980 0.187 1.00 0.55 N ATOM 2489 CA ASP B 64 157.848 -12.584 -0.869 1.00 0.54 C ATOM 2490 C ASP B 64 159.023 -11.652 -1.177 1.00 0.52 C ATOM 2491 O ASP B 64 160.019 -12.060 -1.740 1.00 0.52 O ATOM 2492 CB ASP B 64 156.940 -12.735 -2.091 1.00 0.53 C ATOM 2493 CG ASP B 64 156.348 -11.375 -2.461 1.00 0.67 C ATOM 2494 OD1 ASP B 64 157.065 -10.393 -2.366 1.00 1.22 O ATOM 2495 OD2 ASP B 64 155.187 -11.338 -2.833 1.00 1.39 O ATOM 0 H ASP B 64 156.116 -11.566 -0.146 1.00 0.55 H new ATOM 0 HA ASP B 64 158.270 -13.541 -0.564 1.00 0.54 H new ATOM 0 HB2 ASP B 64 157.507 -13.137 -2.931 1.00 0.53 H new ATOM 0 HB3 ASP B 64 156.141 -13.445 -1.877 1.00 0.53 H new ATOM 2500 N ILE B 65 158.922 -10.406 -0.797 1.00 0.52 N ATOM 2501 CA ILE B 65 160.047 -9.457 -1.055 1.00 0.53 C ATOM 2502 C ILE B 65 161.112 -9.655 0.020 1.00 0.54 C ATOM 2503 O ILE B 65 162.295 -9.686 -0.258 1.00 0.57 O ATOM 2504 CB ILE B 65 159.457 -8.040 -0.969 1.00 0.56 C ATOM 2505 CG1 ILE B 65 158.027 -8.027 -1.506 1.00 0.55 C ATOM 2506 CG2 ILE B 65 160.303 -7.088 -1.817 1.00 0.60 C ATOM 2507 CD1 ILE B 65 157.550 -6.577 -1.652 1.00 0.64 C ATOM 0 H ILE B 65 158.114 -10.005 -0.321 1.00 0.52 H new ATOM 0 HA ILE B 65 160.506 -9.621 -2.030 1.00 0.53 H new ATOM 0 HB ILE B 65 159.456 -7.724 0.074 1.00 0.56 H new ATOM 0 HG12 ILE B 65 157.984 -8.534 -2.470 1.00 0.55 H new ATOM 0 HG13 ILE B 65 157.368 -8.572 -0.830 1.00 0.55 H new ATOM 0 HG21 ILE B 65 159.888 -6.082 -1.759 1.00 0.60 H new ATOM 0 HG22 ILE B 65 161.327 -7.080 -1.443 1.00 0.60 H new ATOM 0 HG23 ILE B 65 160.298 -7.423 -2.854 1.00 0.60 H new ATOM 0 HD11 ILE B 65 156.530 -6.566 -2.035 1.00 0.64 H new ATOM 0 HD12 ILE B 65 157.578 -6.085 -0.680 1.00 0.64 H new ATOM 0 HD13 ILE B 65 158.203 -6.047 -2.345 1.00 0.64 H new ATOM 2519 N ASP B 66 160.696 -9.810 1.248 1.00 0.57 N ATOM 2520 CA ASP B 66 161.680 -10.030 2.343 1.00 0.59 C ATOM 2521 C ASP B 66 162.428 -11.338 2.085 1.00 0.58 C ATOM 2522 O ASP B 66 163.619 -11.440 2.304 1.00 0.58 O ATOM 2523 CB ASP B 66 160.843 -10.128 3.619 1.00 0.68 C ATOM 2524 CG ASP B 66 160.971 -8.829 4.416 1.00 0.89 C ATOM 2525 OD1 ASP B 66 161.999 -8.642 5.046 1.00 1.77 O ATOM 2526 OD2 ASP B 66 160.038 -8.043 4.383 1.00 1.32 O ATOM 0 H ASP B 66 159.718 -9.794 1.539 1.00 0.57 H new ATOM 0 HA ASP B 66 162.421 -9.234 2.415 1.00 0.59 H new ATOM 0 HB2 ASP B 66 159.798 -10.311 3.368 1.00 0.68 H new ATOM 0 HB3 ASP B 66 161.178 -10.972 4.222 1.00 0.68 H new ATOM 2531 N ASP B 67 161.734 -12.335 1.604 1.00 0.61 N ATOM 2532 CA ASP B 67 162.401 -13.634 1.311 1.00 0.63 C ATOM 2533 C ASP B 67 163.291 -13.479 0.077 1.00 0.58 C ATOM 2534 O ASP B 67 164.433 -13.894 0.064 1.00 0.66 O ATOM 2535 CB ASP B 67 161.261 -14.616 1.035 1.00 0.71 C ATOM 2536 CG ASP B 67 161.525 -15.927 1.777 1.00 1.20 C ATOM 2537 OD1 ASP B 67 161.692 -15.878 2.984 1.00 1.65 O ATOM 2538 OD2 ASP B 67 161.557 -16.958 1.125 1.00 1.88 O ATOM 0 H ASP B 67 160.735 -12.305 1.402 1.00 0.61 H new ATOM 0 HA ASP B 67 163.034 -13.977 2.129 1.00 0.63 H new ATOM 0 HB2 ASP B 67 160.312 -14.188 1.358 1.00 0.71 H new ATOM 0 HB3 ASP B 67 161.179 -14.802 -0.036 1.00 0.71 H new ATOM 2543 N LEU B 68 162.779 -12.867 -0.957 1.00 0.53 N ATOM 2544 CA LEU B 68 163.598 -12.666 -2.186 1.00 0.53 C ATOM 2545 C LEU B 68 164.775 -11.744 -1.865 1.00 0.55 C ATOM 2546 O LEU B 68 165.871 -11.920 -2.358 1.00 0.58 O ATOM 2547 CB LEU B 68 162.655 -12.000 -3.190 1.00 0.52 C ATOM 2548 CG LEU B 68 161.632 -13.022 -3.690 1.00 0.70 C ATOM 2549 CD1 LEU B 68 160.422 -12.289 -4.273 1.00 0.57 C ATOM 2550 CD2 LEU B 68 162.271 -13.890 -4.777 1.00 1.07 C ATOM 0 H LEU B 68 161.829 -12.498 -1.003 1.00 0.53 H new ATOM 0 HA LEU B 68 164.007 -13.598 -2.576 1.00 0.53 H new ATOM 0 HB2 LEU B 68 162.144 -11.159 -2.722 1.00 0.52 H new ATOM 0 HB3 LEU B 68 163.224 -11.600 -4.029 1.00 0.52 H new ATOM 0 HG LEU B 68 161.311 -13.652 -2.860 1.00 0.70 H new ATOM 0 HD11 LEU B 68 159.693 -13.017 -4.629 1.00 0.57 H new ATOM 0 HD12 LEU B 68 159.967 -11.667 -3.502 1.00 0.57 H new ATOM 0 HD13 LEU B 68 160.743 -11.660 -5.104 1.00 0.57 H new ATOM 0 HD21 LEU B 68 161.544 -14.619 -5.135 1.00 1.07 H new ATOM 0 HD22 LEU B 68 162.590 -13.258 -5.606 1.00 1.07 H new ATOM 0 HD23 LEU B 68 163.135 -14.411 -4.365 1.00 1.07 H new ATOM 2562 N LYS B 69 164.554 -10.764 -1.031 1.00 0.57 N ATOM 2563 CA LYS B 69 165.655 -9.830 -0.664 1.00 0.61 C ATOM 2564 C LYS B 69 166.815 -10.615 -0.046 1.00 0.64 C ATOM 2565 O LYS B 69 167.966 -10.396 -0.364 1.00 0.71 O ATOM 2566 CB LYS B 69 165.040 -8.881 0.365 1.00 0.67 C ATOM 2567 CG LYS B 69 166.101 -7.889 0.845 1.00 1.43 C ATOM 2568 CD LYS B 69 166.006 -6.602 0.024 1.00 1.64 C ATOM 2569 CE LYS B 69 164.724 -5.854 0.396 1.00 2.17 C ATOM 2570 NZ LYS B 69 165.171 -4.766 1.310 1.00 2.25 N ATOM 0 H LYS B 69 163.656 -10.570 -0.587 1.00 0.57 H new ATOM 0 HA LYS B 69 166.053 -9.292 -1.525 1.00 0.61 H new ATOM 0 HB2 LYS B 69 164.199 -8.345 -0.076 1.00 0.67 H new ATOM 0 HB3 LYS B 69 164.649 -9.448 1.210 1.00 0.67 H new ATOM 0 HG2 LYS B 69 165.956 -7.669 1.903 1.00 1.43 H new ATOM 0 HG3 LYS B 69 167.095 -8.325 0.743 1.00 1.43 H new ATOM 0 HD2 LYS B 69 166.875 -5.972 0.213 1.00 1.64 H new ATOM 0 HD3 LYS B 69 166.008 -6.836 -1.041 1.00 1.64 H new ATOM 0 HE2 LYS B 69 164.231 -5.450 -0.488 1.00 2.17 H new ATOM 0 HE3 LYS B 69 164.009 -6.514 0.887 1.00 2.17 H new ATOM 0 HZ1 LYS B 69 164.348 -4.206 1.611 1.00 2.25 H new ATOM 0 HZ2 LYS B 69 165.631 -5.181 2.145 1.00 2.25 H new ATOM 0 HZ3 LYS B 69 165.846 -4.150 0.813 1.00 2.25 H new ATOM 2584 N ARG B 70 166.517 -11.533 0.833 1.00 0.64 N ATOM 2585 CA ARG B 70 167.600 -12.337 1.466 1.00 0.70 C ATOM 2586 C ARG B 70 168.256 -13.240 0.419 1.00 0.67 C ATOM 2587 O ARG B 70 169.449 -13.468 0.439 1.00 0.71 O ATOM 2588 CB ARG B 70 166.898 -13.175 2.536 1.00 0.78 C ATOM 2589 CG ARG B 70 167.696 -13.110 3.840 1.00 1.17 C ATOM 2590 CD ARG B 70 166.766 -13.393 5.022 1.00 1.29 C ATOM 2591 NE ARG B 70 166.848 -12.175 5.875 1.00 1.57 N ATOM 2592 CZ ARG B 70 167.718 -12.116 6.846 1.00 2.02 C ATOM 2593 NH1 ARG B 70 168.966 -12.428 6.623 1.00 2.75 N ATOM 2594 NH2 ARG B 70 167.342 -11.745 8.039 1.00 2.36 N ATOM 0 H ARG B 70 165.571 -11.761 1.140 1.00 0.64 H new ATOM 0 HA ARG B 70 168.387 -11.715 1.892 1.00 0.70 H new ATOM 0 HB2 ARG B 70 165.886 -12.804 2.698 1.00 0.78 H new ATOM 0 HB3 ARG B 70 166.809 -14.209 2.203 1.00 0.78 H new ATOM 0 HG2 ARG B 70 168.507 -13.838 3.819 1.00 1.17 H new ATOM 0 HG3 ARG B 70 168.153 -12.127 3.950 1.00 1.17 H new ATOM 0 HD2 ARG B 70 165.744 -13.572 4.687 1.00 1.29 H new ATOM 0 HD3 ARG B 70 167.082 -14.281 5.570 1.00 1.29 H new ATOM 0 HE ARG B 70 166.224 -11.387 5.700 1.00 1.57 H new ATOM 0 HH11 ARG B 70 169.260 -12.718 5.690 1.00 2.75 H new ATOM 0 HH12 ARG B 70 169.647 -12.382 7.381 1.00 2.75 H new ATOM 0 HH21 ARG B 70 166.367 -11.501 8.214 1.00 2.36 H new ATOM 0 HH22 ARG B 70 168.023 -11.699 8.797 1.00 2.36 H new ATOM 2608 N GLN B 71 167.482 -13.752 -0.501 1.00 0.65 N ATOM 2609 CA GLN B 71 168.059 -14.635 -1.554 1.00 0.68 C ATOM 2610 C GLN B 71 169.147 -13.884 -2.326 1.00 0.58 C ATOM 2611 O GLN B 71 170.316 -13.972 -2.008 1.00 0.58 O ATOM 2612 CB GLN B 71 166.887 -14.972 -2.475 1.00 0.73 C ATOM 2613 CG GLN B 71 165.935 -15.936 -1.764 1.00 1.13 C ATOM 2614 CD GLN B 71 164.746 -16.241 -2.676 1.00 1.30 C ATOM 2615 OE1 GLN B 71 164.560 -15.594 -3.687 1.00 2.00 O ATOM 2616 NE2 GLN B 71 163.927 -17.207 -2.361 1.00 1.72 N ATOM 0 H GLN B 71 166.476 -13.597 -0.568 1.00 0.65 H new ATOM 0 HA GLN B 71 168.520 -15.531 -1.138 1.00 0.68 H new ATOM 0 HB2 GLN B 71 166.357 -14.061 -2.754 1.00 0.73 H new ATOM 0 HB3 GLN B 71 167.254 -15.422 -3.397 1.00 0.73 H new ATOM 0 HG2 GLN B 71 166.457 -16.858 -1.509 1.00 1.13 H new ATOM 0 HG3 GLN B 71 165.587 -15.497 -0.829 1.00 1.13 H new ATOM 0 HE21 GLN B 71 164.082 -17.751 -1.512 1.00 1.72 H new ATOM 0 HE22 GLN B 71 163.132 -17.418 -2.964 1.00 1.72 H new ATOM 2625 N ASN B 72 168.768 -13.146 -3.336 1.00 0.54 N ATOM 2626 CA ASN B 72 169.776 -12.384 -4.132 1.00 0.50 C ATOM 2627 C ASN B 72 170.842 -11.781 -3.209 1.00 0.46 C ATOM 2628 O ASN B 72 171.973 -11.577 -3.605 1.00 0.46 O ATOM 2629 CB ASN B 72 168.976 -11.280 -4.828 1.00 0.52 C ATOM 2630 CG ASN B 72 168.639 -10.175 -3.824 1.00 0.50 C ATOM 2631 OD1 ASN B 72 167.897 -10.456 -2.789 1.00 0.70 O flip ATOM 2632 ND2 ASN B 72 169.057 -9.046 -3.983 1.00 0.67 N flip ATOM 0 H ASN B 72 167.802 -13.038 -3.645 1.00 0.54 H new ATOM 0 HA ASN B 72 170.303 -13.018 -4.845 1.00 0.50 H new ATOM 0 HB2 ASN B 72 169.552 -10.868 -5.657 1.00 0.52 H new ATOM 0 HB3 ASN B 72 168.060 -11.693 -5.250 1.00 0.52 H new ATOM 0 HD21 ASN B 72 169.637 -8.826 -4.793 1.00 0.67 H new ATOM 0 HD22 ASN B 72 168.828 -8.317 -3.307 1.00 0.67 H new ATOM 2639 N ALA B 73 170.496 -11.501 -1.980 1.00 0.50 N ATOM 2640 CA ALA B 73 171.498 -10.923 -1.041 1.00 0.54 C ATOM 2641 C ALA B 73 172.597 -11.952 -0.783 1.00 0.54 C ATOM 2642 O ALA B 73 173.768 -11.695 -0.983 1.00 0.57 O ATOM 2643 CB ALA B 73 170.721 -10.628 0.242 1.00 0.64 C ATOM 0 H ALA B 73 169.566 -11.647 -1.588 1.00 0.50 H new ATOM 0 HA ALA B 73 171.975 -10.024 -1.432 1.00 0.54 H new ATOM 0 HB1 ALA B 73 171.394 -10.199 0.984 1.00 0.64 H new ATOM 0 HB2 ALA B 73 169.919 -9.922 0.027 1.00 0.64 H new ATOM 0 HB3 ALA B 73 170.295 -11.553 0.630 1.00 0.64 H new ATOM 2649 N LEU B 74 172.220 -13.125 -0.357 1.00 0.54 N ATOM 2650 CA LEU B 74 173.230 -14.187 -0.102 1.00 0.57 C ATOM 2651 C LEU B 74 173.572 -14.874 -1.424 1.00 0.52 C ATOM 2652 O LEU B 74 174.642 -15.425 -1.597 1.00 0.54 O ATOM 2653 CB LEU B 74 172.542 -15.164 0.855 1.00 0.60 C ATOM 2654 CG LEU B 74 172.586 -14.616 2.286 1.00 0.76 C ATOM 2655 CD1 LEU B 74 172.262 -13.119 2.286 1.00 1.30 C ATOM 2656 CD2 LEU B 74 171.554 -15.355 3.139 1.00 0.94 C ATOM 0 H LEU B 74 171.253 -13.394 -0.174 1.00 0.54 H new ATOM 0 HA LEU B 74 174.159 -13.803 0.320 1.00 0.57 H new ATOM 0 HB2 LEU B 74 171.508 -15.319 0.548 1.00 0.60 H new ATOM 0 HB3 LEU B 74 173.036 -16.135 0.813 1.00 0.60 H new ATOM 0 HG LEU B 74 173.585 -14.765 2.696 1.00 0.76 H new ATOM 0 HD11 LEU B 74 172.296 -12.739 3.307 1.00 1.30 H new ATOM 0 HD12 LEU B 74 172.994 -12.588 1.677 1.00 1.30 H new ATOM 0 HD13 LEU B 74 171.265 -12.962 1.874 1.00 1.30 H new ATOM 0 HD21 LEU B 74 171.581 -14.969 4.158 1.00 0.94 H new ATOM 0 HD22 LEU B 74 170.559 -15.203 2.720 1.00 0.94 H new ATOM 0 HD23 LEU B 74 171.785 -16.420 3.148 1.00 0.94 H new ATOM 2668 N LEU B 75 172.666 -14.826 -2.363 1.00 0.48 N ATOM 2669 CA LEU B 75 172.921 -15.453 -3.687 1.00 0.46 C ATOM 2670 C LEU B 75 174.071 -14.724 -4.384 1.00 0.45 C ATOM 2671 O LEU B 75 175.039 -15.324 -4.806 1.00 0.49 O ATOM 2672 CB LEU B 75 171.619 -15.254 -4.461 1.00 0.46 C ATOM 2673 CG LEU B 75 170.795 -16.543 -4.443 1.00 0.50 C ATOM 2674 CD1 LEU B 75 169.329 -16.205 -4.172 1.00 0.52 C ATOM 2675 CD2 LEU B 75 170.905 -17.238 -5.802 1.00 0.50 C ATOM 0 H LEU B 75 171.756 -14.376 -2.267 1.00 0.48 H new ATOM 0 HA LEU B 75 173.199 -16.504 -3.613 1.00 0.46 H new ATOM 0 HB2 LEU B 75 171.045 -14.440 -4.019 1.00 0.46 H new ATOM 0 HB3 LEU B 75 171.838 -14.968 -5.490 1.00 0.46 H new ATOM 0 HG LEU B 75 171.172 -17.202 -3.661 1.00 0.50 H new ATOM 0 HD11 LEU B 75 168.741 -17.122 -4.159 1.00 0.52 H new ATOM 0 HD12 LEU B 75 169.243 -15.705 -3.207 1.00 0.52 H new ATOM 0 HD13 LEU B 75 168.956 -15.546 -4.956 1.00 0.52 H new ATOM 0 HD21 LEU B 75 170.318 -18.156 -5.790 1.00 0.50 H new ATOM 0 HD22 LEU B 75 170.527 -16.576 -6.581 1.00 0.50 H new ATOM 0 HD23 LEU B 75 171.949 -17.477 -6.005 1.00 0.50 H new ATOM 2687 N GLU B 76 173.970 -13.427 -4.499 1.00 0.50 N ATOM 2688 CA GLU B 76 175.055 -12.648 -5.158 1.00 0.54 C ATOM 2689 C GLU B 76 176.314 -12.679 -4.290 1.00 0.57 C ATOM 2690 O GLU B 76 177.423 -12.605 -4.783 1.00 0.59 O ATOM 2691 CB GLU B 76 174.509 -11.223 -5.267 1.00 0.64 C ATOM 2692 CG GLU B 76 175.270 -10.465 -6.357 1.00 0.68 C ATOM 2693 CD GLU B 76 174.325 -9.480 -7.049 1.00 0.73 C ATOM 2694 OE1 GLU B 76 173.334 -9.928 -7.602 1.00 1.35 O ATOM 2695 OE2 GLU B 76 174.610 -8.294 -7.015 1.00 1.30 O ATOM 0 H GLU B 76 173.181 -12.874 -4.164 1.00 0.50 H new ATOM 0 HA GLU B 76 175.327 -13.051 -6.133 1.00 0.54 H new ATOM 0 HB2 GLU B 76 173.445 -11.247 -5.502 1.00 0.64 H new ATOM 0 HB3 GLU B 76 174.613 -10.709 -4.312 1.00 0.64 H new ATOM 0 HG2 GLU B 76 176.114 -9.930 -5.921 1.00 0.68 H new ATOM 0 HG3 GLU B 76 175.678 -11.166 -7.085 1.00 0.68 H new ATOM 2702 N GLN B 77 176.151 -12.794 -2.999 1.00 0.65 N ATOM 2703 CA GLN B 77 177.338 -12.840 -2.098 1.00 0.74 C ATOM 2704 C GLN B 77 178.133 -14.122 -2.356 1.00 0.69 C ATOM 2705 O GLN B 77 179.255 -14.273 -1.913 1.00 0.74 O ATOM 2706 CB GLN B 77 176.763 -12.838 -0.681 1.00 0.86 C ATOM 2707 CG GLN B 77 177.556 -11.863 0.191 1.00 1.31 C ATOM 2708 CD GLN B 77 177.509 -10.466 -0.430 1.00 1.40 C ATOM 2709 OE1 GLN B 77 178.368 -10.106 -1.211 1.00 2.10 O ATOM 2710 NE2 GLN B 77 176.533 -9.658 -0.115 1.00 1.83 N ATOM 0 H GLN B 77 175.247 -12.858 -2.530 1.00 0.65 H new ATOM 0 HA GLN B 77 178.017 -12.002 -2.258 1.00 0.74 H new ATOM 0 HB2 GLN B 77 175.712 -12.549 -0.704 1.00 0.86 H new ATOM 0 HB3 GLN B 77 176.809 -13.841 -0.257 1.00 0.86 H new ATOM 0 HG2 GLN B 77 177.140 -11.839 1.198 1.00 1.31 H new ATOM 0 HG3 GLN B 77 178.589 -12.198 0.281 1.00 1.31 H new ATOM 0 HE21 GLN B 77 175.812 -9.960 0.540 1.00 1.83 H new ATOM 0 HE22 GLN B 77 176.491 -8.725 -0.524 1.00 1.83 H new ATOM 2719 N GLN B 78 177.566 -15.035 -3.095 1.00 0.61 N ATOM 2720 CA GLN B 78 178.288 -16.298 -3.408 1.00 0.61 C ATOM 2721 C GLN B 78 178.721 -16.236 -4.863 1.00 0.53 C ATOM 2722 O GLN B 78 179.808 -16.634 -5.230 1.00 0.56 O ATOM 2723 CB GLN B 78 177.266 -17.414 -3.187 1.00 0.65 C ATOM 2724 CG GLN B 78 177.888 -18.758 -3.570 1.00 0.73 C ATOM 2725 CD GLN B 78 178.329 -19.497 -2.304 1.00 1.14 C ATOM 2726 OE1 GLN B 78 179.508 -19.636 -2.048 1.00 1.98 O ATOM 2727 NE2 GLN B 78 177.425 -19.981 -1.496 1.00 1.54 N ATOM 0 H GLN B 78 176.631 -14.960 -3.496 1.00 0.61 H new ATOM 0 HA GLN B 78 179.173 -16.461 -2.793 1.00 0.61 H new ATOM 0 HB2 GLN B 78 176.950 -17.431 -2.144 1.00 0.65 H new ATOM 0 HB3 GLN B 78 176.375 -17.230 -3.787 1.00 0.65 H new ATOM 0 HG2 GLN B 78 177.167 -19.360 -4.122 1.00 0.73 H new ATOM 0 HG3 GLN B 78 178.743 -18.601 -4.228 1.00 0.73 H new ATOM 0 HE21 GLN B 78 176.435 -19.865 -1.710 1.00 1.54 H new ATOM 0 HE22 GLN B 78 177.709 -20.475 -0.650 1.00 1.54 H new ATOM 2736 N VAL B 79 177.872 -15.695 -5.684 1.00 0.46 N ATOM 2737 CA VAL B 79 178.203 -15.542 -7.118 1.00 0.48 C ATOM 2738 C VAL B 79 179.431 -14.632 -7.241 1.00 0.50 C ATOM 2739 O VAL B 79 180.177 -14.697 -8.197 1.00 0.59 O ATOM 2740 CB VAL B 79 176.937 -14.904 -7.711 1.00 0.56 C ATOM 2741 CG1 VAL B 79 177.297 -13.808 -8.712 1.00 0.77 C ATOM 2742 CG2 VAL B 79 176.116 -15.982 -8.420 1.00 0.50 C ATOM 0 H VAL B 79 176.951 -15.348 -5.417 1.00 0.46 H new ATOM 0 HA VAL B 79 178.456 -16.469 -7.633 1.00 0.48 H new ATOM 0 HB VAL B 79 176.359 -14.459 -6.901 1.00 0.56 H new ATOM 0 HG11 VAL B 79 176.384 -13.372 -9.118 1.00 0.77 H new ATOM 0 HG12 VAL B 79 177.877 -13.034 -8.211 1.00 0.77 H new ATOM 0 HG13 VAL B 79 177.887 -14.235 -9.523 1.00 0.77 H new ATOM 0 HG21 VAL B 79 175.216 -15.535 -8.843 1.00 0.50 H new ATOM 0 HG22 VAL B 79 176.710 -16.426 -9.219 1.00 0.50 H new ATOM 0 HG23 VAL B 79 175.835 -16.755 -7.705 1.00 0.50 H new