USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1009 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 111 GLN : amide:sc= 0.091 K(o=0.33,f=-3.9) USER MOD Set 1.2: A 114 LYS NZ :NH3+ 174:sc= 0.236 (180deg=0) USER MOD Set 2.1: A 103 SER OG : rot 4:sc= 0.994 USER MOD Set 2.2: A 107 THR OG1 : rot 73:sc= 0.496 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.664 K(o=0.66,f=-0.084) USER MOD Single : A 27 TYR OH : rot -64:sc= 0.538 USER MOD Single : A 34 LYS NZ :NH3+ -141:sc= 1.26 (180deg=0.683) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0242 (180deg=-0.208) USER MOD Single : A 44 SER OG : rot 180:sc= -1.46! USER MOD Single : A 46 MET CE :methyl 176:sc= -4.84! (180deg=-4.94!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.00381 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 59 MET CE :methyl -129:sc= -0.244 (180deg=-1.07) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl -166:sc= -0.0504 (180deg=-0.359) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -79:sc= 0.932 USER MOD Single : A 76 LYS NZ :NH3+ 130:sc= 1.3 (180deg=-0.0125) USER MOD Single : A 84 ASN : amide:sc= -0.098 K(o=-0.098,f=-0.78) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 170:sc=-0.00474 (180deg=-0.134) USER MOD Single : A 92 THR OG1 : rot -160:sc= -0.0323 USER MOD Single : A 93 LYS NZ :NH3+ -168:sc= -0.0513 (180deg=-0.27) USER MOD Single : A 96 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.84) USER MOD Single : A 99 THR OG1 : rot 50:sc= -0.547 USER MOD Single : A 100 SER OG : rot -39:sc= 0.791 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 65:sc= 0.919 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl -175:sc= -1.35 (180deg=-1.45) USER MOD Single : A 115 TYR OH : rot -88:sc= 1.26 USER MOD Single : A 117 TYR OH : rot 180:sc=-0.00147 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot -25:sc= 0.0493 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 103:sc= 0.829 USER MOD Single : A 128 ASN : amide:sc=-0.00591 X(o=-0.0059,f=-0.33) USER MOD Single : A 130 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.026) USER MOD Single : A 133 GLN : amide:sc= 0.601 K(o=0.6,f=-0.054) USER MOD Single : A 138 SER OG : rot 74:sc= 1.08 USER MOD Single : A 139 ASN :FLIP amide:sc= -2.22 F(o=-4.2!,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 350 N PHE A 23 -3.602 -17.017 0.810 1.00 51.51 N ATOM 351 CA PHE A 23 -3.268 -18.085 1.755 1.00 34.24 C ATOM 352 C PHE A 23 -3.400 -17.600 3.210 1.00 50.24 C ATOM 353 O PHE A 23 -3.207 -16.418 3.510 1.00 15.51 O ATOM 354 CB PHE A 23 -1.871 -18.674 1.475 1.00 12.34 C ATOM 355 CG PHE A 23 -0.777 -17.659 1.246 1.00 42.42 C ATOM 356 CD1 PHE A 23 -0.226 -16.953 2.306 1.00 41.43 C ATOM 357 CD2 PHE A 23 -0.285 -17.429 -0.033 1.00 41.33 C ATOM 358 CE1 PHE A 23 0.788 -16.041 2.095 1.00 1.43 C ATOM 359 CE2 PHE A 23 0.730 -16.515 -0.246 1.00 65.20 C ATOM 360 CZ PHE A 23 1.267 -15.821 0.819 1.00 23.04 C ATOM 0 HA PHE A 23 -3.988 -18.890 1.611 1.00 34.24 H new ATOM 0 HB2 PHE A 23 -1.587 -19.307 2.316 1.00 12.34 H new ATOM 0 HB3 PHE A 23 -1.936 -19.318 0.598 1.00 12.34 H new ATOM 0 HD1 PHE A 23 -0.595 -17.119 3.307 1.00 41.43 H new ATOM 0 HD2 PHE A 23 -0.700 -17.970 -0.870 1.00 41.33 H new ATOM 0 HE1 PHE A 23 1.207 -15.499 2.929 1.00 1.43 H new ATOM 0 HE2 PHE A 23 1.102 -16.344 -1.245 1.00 65.20 H new ATOM 0 HZ PHE A 23 2.061 -15.107 0.655 1.00 23.04 H new ATOM 370 N LYS A 24 -3.719 -18.535 4.104 1.00 3.41 N ATOM 371 CA LYS A 24 -4.095 -18.234 5.497 1.00 14.11 C ATOM 372 C LYS A 24 -3.057 -17.376 6.252 1.00 34.21 C ATOM 373 O LYS A 24 -3.411 -16.654 7.186 1.00 24.01 O ATOM 374 CB LYS A 24 -4.326 -19.553 6.256 1.00 74.40 C ATOM 375 CG LYS A 24 -4.784 -19.376 7.702 1.00 55.11 C ATOM 376 CD LYS A 24 -6.199 -18.806 7.803 1.00 25.44 C ATOM 377 CE LYS A 24 -7.246 -19.798 7.307 1.00 43.41 C ATOM 378 NZ LYS A 24 -8.630 -19.281 7.471 1.00 42.43 N ATOM 0 H LYS A 24 -3.726 -19.532 3.887 1.00 3.41 H new ATOM 0 HA LYS A 24 -5.008 -17.640 5.454 1.00 14.11 H new ATOM 0 HB2 LYS A 24 -5.072 -20.140 5.721 1.00 74.40 H new ATOM 0 HB3 LYS A 24 -3.401 -20.129 6.249 1.00 74.40 H new ATOM 0 HG2 LYS A 24 -4.746 -20.339 8.212 1.00 55.11 H new ATOM 0 HG3 LYS A 24 -4.091 -18.713 8.221 1.00 55.11 H new ATOM 0 HD2 LYS A 24 -6.411 -18.541 8.839 1.00 25.44 H new ATOM 0 HD3 LYS A 24 -6.263 -17.888 7.220 1.00 25.44 H new ATOM 0 HE2 LYS A 24 -7.065 -20.020 6.255 1.00 43.41 H new ATOM 0 HE3 LYS A 24 -7.143 -20.736 7.853 1.00 43.41 H new ATOM 0 HZ1 LYS A 24 -9.308 -19.987 7.121 1.00 42.43 H new ATOM 0 HZ2 LYS A 24 -8.814 -19.094 8.477 1.00 42.43 H new ATOM 0 HZ3 LYS A 24 -8.738 -18.400 6.929 1.00 42.43 H new ATOM 392 N GLN A 25 -1.791 -17.449 5.845 1.00 70.24 N ATOM 393 CA GLN A 25 -0.700 -16.761 6.559 1.00 2.23 C ATOM 394 C GLN A 25 -0.998 -15.269 6.813 1.00 5.02 C ATOM 395 O GLN A 25 -0.646 -14.740 7.867 1.00 22.33 O ATOM 396 CB GLN A 25 0.620 -16.909 5.791 1.00 5.41 C ATOM 397 CG GLN A 25 1.835 -16.315 6.507 1.00 15.03 C ATOM 398 CD GLN A 25 2.050 -16.898 7.899 1.00 31.31 C ATOM 399 OE1 GLN A 25 2.728 -17.908 8.068 1.00 63.22 O ATOM 400 NE2 GLN A 25 1.479 -16.266 8.907 1.00 2.32 N ATOM 0 H GLN A 25 -1.488 -17.976 5.026 1.00 70.24 H new ATOM 0 HA GLN A 25 -0.613 -17.241 7.534 1.00 2.23 H new ATOM 0 HB2 GLN A 25 0.803 -17.968 5.607 1.00 5.41 H new ATOM 0 HB3 GLN A 25 0.516 -16.430 4.818 1.00 5.41 H new ATOM 0 HG2 GLN A 25 2.726 -16.490 5.904 1.00 15.03 H new ATOM 0 HG3 GLN A 25 1.711 -15.235 6.587 1.00 15.03 H new ATOM 0 HE21 GLN A 25 0.922 -15.429 8.734 1.00 2.32 H new ATOM 0 HE22 GLN A 25 1.595 -16.614 9.859 1.00 2.32 H new ATOM 409 N LEU A 26 -1.643 -14.592 5.860 1.00 14.33 N ATOM 410 CA LEU A 26 -2.021 -13.180 6.047 1.00 65.31 C ATOM 411 C LEU A 26 -3.008 -13.013 7.213 1.00 75.20 C ATOM 412 O LEU A 26 -2.933 -12.049 7.977 1.00 52.42 O ATOM 413 CB LEU A 26 -2.628 -12.595 4.761 1.00 4.13 C ATOM 414 CG LEU A 26 -1.617 -12.174 3.682 1.00 71.22 C ATOM 415 CD1 LEU A 26 -2.339 -11.643 2.447 1.00 51.21 C ATOM 416 CD2 LEU A 26 -0.653 -11.124 4.234 1.00 11.20 C ATOM 0 H LEU A 26 -1.914 -14.988 4.960 1.00 14.33 H new ATOM 0 HA LEU A 26 -1.109 -12.632 6.286 1.00 65.31 H new ATOM 0 HB2 LEU A 26 -3.305 -13.334 4.331 1.00 4.13 H new ATOM 0 HB3 LEU A 26 -3.231 -11.727 5.027 1.00 4.13 H new ATOM 0 HG LEU A 26 -1.040 -13.052 3.390 1.00 71.22 H new ATOM 0 HD11 LEU A 26 -1.606 -11.350 1.695 1.00 51.21 H new ATOM 0 HD12 LEU A 26 -2.985 -12.421 2.041 1.00 51.21 H new ATOM 0 HD13 LEU A 26 -2.942 -10.778 2.722 1.00 51.21 H new ATOM 0 HD21 LEU A 26 0.056 -10.837 3.457 1.00 11.20 H new ATOM 0 HD22 LEU A 26 -1.215 -10.247 4.554 1.00 11.20 H new ATOM 0 HD23 LEU A 26 -0.112 -11.538 5.084 1.00 11.20 H new ATOM 428 N TYR A 27 -3.928 -13.961 7.345 1.00 23.31 N ATOM 429 CA TYR A 27 -4.918 -13.942 8.427 1.00 32.54 C ATOM 430 C TYR A 27 -4.286 -14.364 9.765 1.00 62.33 C ATOM 431 O TYR A 27 -4.719 -13.931 10.835 1.00 60.15 O ATOM 432 CB TYR A 27 -6.095 -14.867 8.080 1.00 10.41 C ATOM 433 CG TYR A 27 -6.869 -14.435 6.846 1.00 23.04 C ATOM 434 CD1 TYR A 27 -6.405 -14.723 5.566 1.00 30.54 C ATOM 435 CD2 TYR A 27 -8.061 -13.728 6.963 1.00 61.25 C ATOM 436 CE1 TYR A 27 -7.106 -14.322 4.444 1.00 63.41 C ATOM 437 CE2 TYR A 27 -8.767 -13.324 5.846 1.00 61.12 C ATOM 438 CZ TYR A 27 -8.286 -13.623 4.589 1.00 34.01 C ATOM 439 OH TYR A 27 -8.986 -13.218 3.474 1.00 64.25 O ATOM 0 H TYR A 27 -4.013 -14.759 6.715 1.00 23.31 H new ATOM 0 HA TYR A 27 -5.285 -12.921 8.535 1.00 32.54 H new ATOM 0 HB2 TYR A 27 -5.718 -15.878 7.926 1.00 10.41 H new ATOM 0 HB3 TYR A 27 -6.777 -14.907 8.930 1.00 10.41 H new ATOM 0 HD1 TYR A 27 -5.481 -15.269 5.447 1.00 30.54 H new ATOM 0 HD2 TYR A 27 -8.442 -13.490 7.945 1.00 61.25 H new ATOM 0 HE1 TYR A 27 -6.731 -14.555 3.458 1.00 63.41 H new ATOM 0 HE2 TYR A 27 -9.691 -12.777 5.957 1.00 61.12 H new ATOM 0 HH TYR A 27 -8.445 -12.581 2.962 1.00 64.25 H new ATOM 449 N GLU A 28 -3.263 -15.216 9.695 1.00 74.33 N ATOM 450 CA GLU A 28 -2.574 -15.713 10.894 1.00 14.54 C ATOM 451 C GLU A 28 -1.159 -15.126 11.036 1.00 64.23 C ATOM 452 O GLU A 28 -0.260 -15.789 11.560 1.00 43.35 O ATOM 453 CB GLU A 28 -2.494 -17.246 10.865 1.00 45.01 C ATOM 454 CG GLU A 28 -3.851 -17.941 10.863 1.00 34.12 C ATOM 455 CD GLU A 28 -3.739 -19.457 10.955 1.00 24.03 C ATOM 456 OE1 GLU A 28 -2.816 -20.032 10.341 1.00 65.12 O ATOM 457 OE2 GLU A 28 -4.582 -20.082 11.634 1.00 42.02 O ATOM 0 H GLU A 28 -2.889 -15.580 8.818 1.00 74.33 H new ATOM 0 HA GLU A 28 -3.158 -15.390 11.756 1.00 14.54 H new ATOM 0 HB2 GLU A 28 -1.939 -17.553 9.978 1.00 45.01 H new ATOM 0 HB3 GLU A 28 -1.925 -17.586 11.731 1.00 45.01 H new ATOM 0 HG2 GLU A 28 -4.443 -17.574 11.701 1.00 34.12 H new ATOM 0 HG3 GLU A 28 -4.388 -17.676 9.953 1.00 34.12 H new ATOM 464 N LEU A 29 -0.960 -13.884 10.580 1.00 5.32 N ATOM 465 CA LEU A 29 0.326 -13.196 10.776 1.00 11.12 C ATOM 466 C LEU A 29 0.712 -13.185 12.265 1.00 50.50 C ATOM 467 O LEU A 29 1.812 -13.589 12.640 1.00 70.43 O ATOM 468 CB LEU A 29 0.257 -11.752 10.247 1.00 44.43 C ATOM 469 CG LEU A 29 0.111 -11.605 8.723 1.00 52.01 C ATOM 470 CD1 LEU A 29 -0.094 -10.141 8.336 1.00 73.42 C ATOM 471 CD2 LEU A 29 1.331 -12.181 8.007 1.00 44.15 C ATOM 0 H LEU A 29 -1.661 -13.339 10.079 1.00 5.32 H new ATOM 0 HA LEU A 29 1.087 -13.740 10.216 1.00 11.12 H new ATOM 0 HB2 LEU A 29 -0.585 -11.250 10.724 1.00 44.43 H new ATOM 0 HB3 LEU A 29 1.160 -11.227 10.559 1.00 44.43 H new ATOM 0 HG LEU A 29 -0.769 -12.167 8.411 1.00 52.01 H new ATOM 0 HD11 LEU A 29 -0.195 -10.061 7.254 1.00 73.42 H new ATOM 0 HD12 LEU A 29 -0.997 -9.762 8.813 1.00 73.42 H new ATOM 0 HD13 LEU A 29 0.764 -9.554 8.665 1.00 73.42 H new ATOM 0 HD21 LEU A 29 1.208 -12.067 6.930 1.00 44.15 H new ATOM 0 HD22 LEU A 29 2.226 -11.649 8.328 1.00 44.15 H new ATOM 0 HD23 LEU A 29 1.430 -13.239 8.251 1.00 44.15 H new ATOM 483 N ASP A 30 -0.195 -12.687 13.099 1.00 40.14 N ATOM 484 CA ASP A 30 -0.067 -12.799 14.556 1.00 62.15 C ATOM 485 C ASP A 30 -1.269 -13.556 15.166 1.00 3.41 C ATOM 486 O ASP A 30 -1.116 -14.354 16.095 1.00 65.54 O ATOM 487 CB ASP A 30 0.077 -11.404 15.181 1.00 74.22 C ATOM 488 CG ASP A 30 -1.080 -10.467 14.863 1.00 72.41 C ATOM 489 OD1 ASP A 30 -1.835 -10.725 13.894 1.00 64.25 O ATOM 490 OD2 ASP A 30 -1.239 -9.461 15.584 1.00 3.24 O ATOM 0 H ASP A 30 -1.035 -12.197 12.792 1.00 40.14 H new ATOM 0 HA ASP A 30 0.831 -13.376 14.779 1.00 62.15 H new ATOM 0 HB2 ASP A 30 0.162 -11.508 16.263 1.00 74.22 H new ATOM 0 HB3 ASP A 30 1.005 -10.953 14.830 1.00 74.22 H new ATOM 495 N GLY A 31 -2.461 -13.296 14.617 1.00 70.52 N ATOM 496 CA GLY A 31 -3.702 -13.882 15.133 1.00 33.45 C ATOM 497 C GLY A 31 -4.666 -12.823 15.678 1.00 21.34 C ATOM 498 O GLY A 31 -5.608 -13.140 16.408 1.00 13.33 O ATOM 0 H GLY A 31 -2.592 -12.682 13.813 1.00 70.52 H new ATOM 0 HA2 GLY A 31 -4.194 -14.442 14.338 1.00 33.45 H new ATOM 0 HA3 GLY A 31 -3.463 -14.593 15.924 1.00 33.45 H new ATOM 502 N ASP A 32 -4.424 -11.572 15.300 1.00 51.44 N ATOM 503 CA ASP A 32 -5.177 -10.415 15.802 1.00 33.13 C ATOM 504 C ASP A 32 -6.616 -10.336 15.223 1.00 13.40 C ATOM 505 O ASP A 32 -6.839 -10.618 14.042 1.00 40.53 O ATOM 506 CB ASP A 32 -4.381 -9.154 15.448 1.00 12.43 C ATOM 507 CG ASP A 32 -5.019 -7.879 15.946 1.00 2.53 C ATOM 508 OD1 ASP A 32 -5.866 -7.324 15.232 1.00 22.11 O ATOM 509 OD2 ASP A 32 -4.670 -7.429 17.061 1.00 51.24 O ATOM 0 H ASP A 32 -3.695 -11.325 14.631 1.00 51.44 H new ATOM 0 HA ASP A 32 -5.297 -10.513 16.881 1.00 33.13 H new ATOM 0 HB2 ASP A 32 -3.378 -9.237 15.868 1.00 12.43 H new ATOM 0 HB3 ASP A 32 -4.270 -9.096 14.365 1.00 12.43 H new ATOM 514 N PRO A 33 -7.613 -9.941 16.057 1.00 43.45 N ATOM 515 CA PRO A 33 -9.023 -9.794 15.622 1.00 1.21 C ATOM 516 C PRO A 33 -9.227 -8.765 14.487 1.00 44.12 C ATOM 517 O PRO A 33 -10.038 -8.982 13.586 1.00 2.12 O ATOM 518 CB PRO A 33 -9.754 -9.341 16.900 1.00 4.14 C ATOM 519 CG PRO A 33 -8.683 -8.819 17.797 1.00 64.13 C ATOM 520 CD PRO A 33 -7.459 -9.637 17.493 1.00 62.30 C ATOM 0 HA PRO A 33 -9.396 -10.727 15.201 1.00 1.21 H new ATOM 0 HB2 PRO A 33 -10.493 -8.571 16.679 1.00 4.14 H new ATOM 0 HB3 PRO A 33 -10.287 -10.171 17.364 1.00 4.14 H new ATOM 0 HG2 PRO A 33 -8.501 -7.760 17.614 1.00 64.13 H new ATOM 0 HG3 PRO A 33 -8.968 -8.917 18.844 1.00 64.13 H new ATOM 0 HD2 PRO A 33 -6.542 -9.082 17.692 1.00 62.30 H new ATOM 0 HD3 PRO A 33 -7.420 -10.544 18.096 1.00 62.30 H new ATOM 528 N LYS A 34 -8.497 -7.648 14.524 1.00 64.52 N ATOM 529 CA LYS A 34 -8.610 -6.625 13.472 1.00 10.25 C ATOM 530 C LYS A 34 -7.907 -7.081 12.182 1.00 50.01 C ATOM 531 O LYS A 34 -8.265 -6.654 11.082 1.00 13.34 O ATOM 532 CB LYS A 34 -8.015 -5.281 13.936 1.00 21.00 C ATOM 533 CG LYS A 34 -8.659 -4.705 15.199 1.00 61.11 C ATOM 534 CD LYS A 34 -8.022 -5.237 16.483 1.00 72.21 C ATOM 535 CE LYS A 34 -6.615 -4.679 16.690 1.00 31.23 C ATOM 536 NZ LYS A 34 -5.987 -5.213 17.927 1.00 64.54 N ATOM 0 H LYS A 34 -7.827 -7.426 15.261 1.00 64.52 H new ATOM 0 HA LYS A 34 -9.672 -6.487 13.267 1.00 10.25 H new ATOM 0 HB2 LYS A 34 -6.948 -5.413 14.115 1.00 21.00 H new ATOM 0 HB3 LYS A 34 -8.115 -4.555 13.129 1.00 21.00 H new ATOM 0 HG2 LYS A 34 -8.576 -3.618 15.181 1.00 61.11 H new ATOM 0 HG3 LYS A 34 -9.723 -4.943 15.200 1.00 61.11 H new ATOM 0 HD2 LYS A 34 -8.647 -4.973 17.336 1.00 72.21 H new ATOM 0 HD3 LYS A 34 -7.980 -6.325 16.444 1.00 72.21 H new ATOM 0 HE2 LYS A 34 -5.994 -4.929 15.830 1.00 31.23 H new ATOM 0 HE3 LYS A 34 -6.660 -3.591 16.745 1.00 31.23 H new ATOM 0 HZ1 LYS A 34 -5.448 -4.458 18.396 1.00 64.54 H new ATOM 0 HZ2 LYS A 34 -6.727 -5.561 18.570 1.00 64.54 H new ATOM 0 HZ3 LYS A 34 -5.346 -5.995 17.682 1.00 64.54 H new ATOM 550 N ARG A 35 -6.916 -7.961 12.336 1.00 53.24 N ATOM 551 CA ARG A 35 -6.124 -8.470 11.207 1.00 75.32 C ATOM 552 C ARG A 35 -7.020 -9.061 10.097 1.00 20.25 C ATOM 553 O ARG A 35 -7.039 -8.563 8.969 1.00 24.14 O ATOM 554 CB ARG A 35 -5.134 -9.540 11.706 1.00 43.15 C ATOM 555 CG ARG A 35 -3.964 -9.813 10.763 1.00 12.44 C ATOM 556 CD ARG A 35 -2.932 -8.685 10.798 1.00 24.25 C ATOM 557 NE ARG A 35 -2.341 -8.522 12.130 1.00 15.14 N ATOM 558 CZ ARG A 35 -1.613 -7.500 12.504 1.00 13.24 C ATOM 559 NH1 ARG A 35 -1.319 -6.555 11.671 1.00 72.31 N ATOM 560 NH2 ARG A 35 -1.161 -7.437 13.710 1.00 13.54 N ATOM 0 H ARG A 35 -6.638 -8.341 13.241 1.00 53.24 H new ATOM 0 HA ARG A 35 -5.577 -7.630 10.779 1.00 75.32 H new ATOM 0 HB2 ARG A 35 -4.739 -9.228 12.673 1.00 43.15 H new ATOM 0 HB3 ARG A 35 -5.677 -10.471 11.869 1.00 43.15 H new ATOM 0 HG2 ARG A 35 -3.485 -10.752 11.040 1.00 12.44 H new ATOM 0 HG3 ARG A 35 -4.337 -9.933 9.746 1.00 12.44 H new ATOM 0 HD2 ARG A 35 -2.144 -8.892 10.075 1.00 24.25 H new ATOM 0 HD3 ARG A 35 -3.405 -7.751 10.495 1.00 24.25 H new ATOM 0 HE ARG A 35 -2.509 -9.259 12.815 1.00 15.14 H new ATOM 0 HH11 ARG A 35 -1.655 -6.600 10.709 1.00 72.31 H new ATOM 0 HH12 ARG A 35 -0.751 -5.765 11.976 1.00 72.31 H new ATOM 0 HH21 ARG A 35 -1.371 -8.183 14.373 1.00 13.54 H new ATOM 0 HH22 ARG A 35 -0.594 -6.641 14.001 1.00 13.54 H new ATOM 574 N LYS A 36 -7.768 -10.118 10.425 1.00 62.45 N ATOM 575 CA LYS A 36 -8.596 -10.814 9.427 1.00 41.24 C ATOM 576 C LYS A 36 -9.754 -9.936 8.908 1.00 53.23 C ATOM 577 O LYS A 36 -10.113 -10.010 7.731 1.00 24.44 O ATOM 578 CB LYS A 36 -9.144 -12.152 9.975 1.00 14.51 C ATOM 579 CG LYS A 36 -10.267 -12.035 11.013 1.00 74.11 C ATOM 580 CD LYS A 36 -9.755 -11.681 12.408 1.00 53.01 C ATOM 581 CE LYS A 36 -8.919 -12.801 13.021 1.00 72.42 C ATOM 582 NZ LYS A 36 -9.704 -14.054 13.198 1.00 4.12 N ATOM 0 H LYS A 36 -7.820 -10.511 11.365 1.00 62.45 H new ATOM 0 HA LYS A 36 -7.939 -11.028 8.584 1.00 41.24 H new ATOM 0 HB2 LYS A 36 -9.510 -12.745 9.136 1.00 14.51 H new ATOM 0 HB3 LYS A 36 -8.318 -12.706 10.421 1.00 14.51 H new ATOM 0 HG2 LYS A 36 -10.977 -11.274 10.688 1.00 74.11 H new ATOM 0 HG3 LYS A 36 -10.811 -12.979 11.060 1.00 74.11 H new ATOM 0 HD2 LYS A 36 -9.156 -10.772 12.353 1.00 53.01 H new ATOM 0 HD3 LYS A 36 -10.602 -11.465 13.059 1.00 53.01 H new ATOM 0 HE2 LYS A 36 -8.058 -13.000 12.383 1.00 72.42 H new ATOM 0 HE3 LYS A 36 -8.532 -12.477 13.987 1.00 72.42 H new ATOM 0 HZ1 LYS A 36 -9.177 -14.710 13.809 1.00 4.12 H new ATOM 0 HZ2 LYS A 36 -10.620 -13.831 13.638 1.00 4.12 H new ATOM 0 HZ3 LYS A 36 -9.864 -14.497 12.271 1.00 4.12 H new ATOM 596 N GLU A 37 -10.332 -9.105 9.781 1.00 25.54 N ATOM 597 CA GLU A 37 -11.439 -8.222 9.381 1.00 11.02 C ATOM 598 C GLU A 37 -11.005 -7.246 8.280 1.00 23.05 C ATOM 599 O GLU A 37 -11.662 -7.128 7.243 1.00 35.23 O ATOM 600 CB GLU A 37 -11.978 -7.432 10.580 1.00 44.44 C ATOM 601 CG GLU A 37 -12.652 -8.294 11.641 1.00 64.31 C ATOM 602 CD GLU A 37 -13.365 -7.461 12.694 1.00 11.53 C ATOM 603 OE1 GLU A 37 -12.734 -7.097 13.712 1.00 33.13 O ATOM 604 OE2 GLU A 37 -14.562 -7.153 12.503 1.00 53.31 O ATOM 0 H GLU A 37 -10.057 -9.023 10.760 1.00 25.54 H new ATOM 0 HA GLU A 37 -12.232 -8.861 8.992 1.00 11.02 H new ATOM 0 HB2 GLU A 37 -11.155 -6.885 11.040 1.00 44.44 H new ATOM 0 HB3 GLU A 37 -12.692 -6.691 10.222 1.00 44.44 H new ATOM 0 HG2 GLU A 37 -13.369 -8.961 11.162 1.00 64.31 H new ATOM 0 HG3 GLU A 37 -11.904 -8.923 12.124 1.00 64.31 H new ATOM 611 N PHE A 38 -9.894 -6.548 8.520 1.00 21.51 N ATOM 612 CA PHE A 38 -9.337 -5.617 7.535 1.00 4.02 C ATOM 613 C PHE A 38 -9.117 -6.310 6.184 1.00 72.32 C ATOM 614 O PHE A 38 -9.484 -5.779 5.136 1.00 74.43 O ATOM 615 CB PHE A 38 -8.011 -5.038 8.050 1.00 21.44 C ATOM 616 CG PHE A 38 -7.314 -4.115 7.076 1.00 73.11 C ATOM 617 CD1 PHE A 38 -7.590 -2.755 7.065 1.00 54.43 C ATOM 618 CD2 PHE A 38 -6.378 -4.608 6.174 1.00 25.44 C ATOM 619 CE1 PHE A 38 -6.952 -1.911 6.178 1.00 14.10 C ATOM 620 CE2 PHE A 38 -5.738 -3.766 5.284 1.00 2.41 C ATOM 621 CZ PHE A 38 -6.025 -2.416 5.287 1.00 54.51 C ATOM 0 H PHE A 38 -9.361 -6.609 9.388 1.00 21.51 H new ATOM 0 HA PHE A 38 -10.052 -4.807 7.390 1.00 4.02 H new ATOM 0 HB2 PHE A 38 -8.201 -4.494 8.975 1.00 21.44 H new ATOM 0 HB3 PHE A 38 -7.340 -5.861 8.296 1.00 21.44 H new ATOM 0 HD1 PHE A 38 -8.313 -2.352 7.759 1.00 54.43 H new ATOM 0 HD2 PHE A 38 -6.148 -5.663 6.169 1.00 25.44 H new ATOM 0 HE1 PHE A 38 -7.178 -0.855 6.181 1.00 14.10 H new ATOM 0 HE2 PHE A 38 -5.015 -4.164 4.588 1.00 2.41 H new ATOM 0 HZ PHE A 38 -5.526 -1.755 4.594 1.00 54.51 H new ATOM 631 N LEU A 39 -8.520 -7.502 6.222 1.00 21.11 N ATOM 632 CA LEU A 39 -8.246 -8.275 5.004 1.00 32.31 C ATOM 633 C LEU A 39 -9.532 -8.613 4.232 1.00 54.40 C ATOM 634 O LEU A 39 -9.579 -8.479 3.008 1.00 11.44 O ATOM 635 CB LEU A 39 -7.488 -9.564 5.352 1.00 12.54 C ATOM 636 CG LEU A 39 -6.107 -9.357 5.996 1.00 45.40 C ATOM 637 CD1 LEU A 39 -5.480 -10.695 6.366 1.00 73.12 C ATOM 638 CD2 LEU A 39 -5.184 -8.566 5.068 1.00 14.31 C ATOM 0 H LEU A 39 -8.216 -7.956 7.083 1.00 21.11 H new ATOM 0 HA LEU A 39 -7.628 -7.653 4.357 1.00 32.31 H new ATOM 0 HB2 LEU A 39 -8.102 -10.156 6.030 1.00 12.54 H new ATOM 0 HB3 LEU A 39 -7.363 -10.150 4.442 1.00 12.54 H new ATOM 0 HG LEU A 39 -6.244 -8.778 6.910 1.00 45.40 H new ATOM 0 HD11 LEU A 39 -4.504 -10.526 6.820 1.00 73.12 H new ATOM 0 HD12 LEU A 39 -6.125 -11.215 7.074 1.00 73.12 H new ATOM 0 HD13 LEU A 39 -5.363 -11.302 5.469 1.00 73.12 H new ATOM 0 HD21 LEU A 39 -4.214 -8.433 5.547 1.00 14.31 H new ATOM 0 HD22 LEU A 39 -5.056 -9.110 4.132 1.00 14.31 H new ATOM 0 HD23 LEU A 39 -5.624 -7.590 4.863 1.00 14.31 H new ATOM 650 N ASP A 40 -10.573 -9.045 4.945 1.00 3.44 N ATOM 651 CA ASP A 40 -11.845 -9.408 4.308 1.00 40.44 C ATOM 652 C ASP A 40 -12.496 -8.207 3.602 1.00 51.03 C ATOM 653 O ASP A 40 -12.829 -8.275 2.416 1.00 61.35 O ATOM 654 CB ASP A 40 -12.813 -9.985 5.346 1.00 41.14 C ATOM 655 CG ASP A 40 -14.186 -10.258 4.758 1.00 74.44 C ATOM 656 OD1 ASP A 40 -14.310 -11.198 3.945 1.00 73.05 O ATOM 657 OD2 ASP A 40 -15.141 -9.523 5.089 1.00 73.03 O ATOM 0 H ASP A 40 -10.564 -9.153 5.959 1.00 3.44 H new ATOM 0 HA ASP A 40 -11.626 -10.163 3.553 1.00 40.44 H new ATOM 0 HB2 ASP A 40 -12.402 -10.910 5.750 1.00 41.14 H new ATOM 0 HB3 ASP A 40 -12.908 -9.288 6.179 1.00 41.14 H new ATOM 662 N ASP A 41 -12.663 -7.105 4.332 1.00 4.32 N ATOM 663 CA ASP A 41 -13.263 -5.894 3.765 1.00 21.35 C ATOM 664 C ASP A 41 -12.379 -5.282 2.668 1.00 74.45 C ATOM 665 O ASP A 41 -12.884 -4.660 1.732 1.00 22.23 O ATOM 666 CB ASP A 41 -13.562 -4.872 4.867 1.00 21.54 C ATOM 667 CG ASP A 41 -14.726 -5.315 5.740 1.00 62.14 C ATOM 668 OD1 ASP A 41 -15.889 -5.118 5.329 1.00 62.01 O ATOM 669 OD2 ASP A 41 -14.490 -5.874 6.831 1.00 20.34 O ATOM 0 H ASP A 41 -12.393 -7.024 5.312 1.00 4.32 H new ATOM 0 HA ASP A 41 -14.205 -6.179 3.297 1.00 21.35 H new ATOM 0 HB2 ASP A 41 -12.675 -4.733 5.485 1.00 21.54 H new ATOM 0 HB3 ASP A 41 -13.791 -3.906 4.416 1.00 21.54 H new ATOM 674 N LEU A 42 -11.063 -5.452 2.794 1.00 52.51 N ATOM 675 CA LEU A 42 -10.117 -5.018 1.757 1.00 65.12 C ATOM 676 C LEU A 42 -10.356 -5.761 0.430 1.00 61.32 C ATOM 677 O LEU A 42 -10.640 -5.140 -0.600 1.00 20.34 O ATOM 678 CB LEU A 42 -8.678 -5.260 2.231 1.00 60.24 C ATOM 679 CG LEU A 42 -7.580 -4.989 1.188 1.00 0.44 C ATOM 680 CD1 LEU A 42 -7.557 -3.518 0.781 1.00 70.43 C ATOM 681 CD2 LEU A 42 -6.217 -5.428 1.718 1.00 14.44 C ATOM 0 H LEU A 42 -10.624 -5.888 3.605 1.00 52.51 H new ATOM 0 HA LEU A 42 -10.275 -3.954 1.583 1.00 65.12 H new ATOM 0 HB2 LEU A 42 -8.491 -4.631 3.101 1.00 60.24 H new ATOM 0 HB3 LEU A 42 -8.593 -6.295 2.562 1.00 60.24 H new ATOM 0 HG LEU A 42 -7.808 -5.576 0.298 1.00 0.44 H new ATOM 0 HD11 LEU A 42 -6.771 -3.357 0.043 1.00 70.43 H new ATOM 0 HD12 LEU A 42 -8.520 -3.244 0.351 1.00 70.43 H new ATOM 0 HD13 LEU A 42 -7.363 -2.901 1.658 1.00 70.43 H new ATOM 0 HD21 LEU A 42 -5.453 -5.229 0.967 1.00 14.44 H new ATOM 0 HD22 LEU A 42 -5.985 -4.874 2.628 1.00 14.44 H new ATOM 0 HD23 LEU A 42 -6.239 -6.495 1.939 1.00 14.44 H new ATOM 693 N PHE A 43 -10.256 -7.091 0.470 1.00 23.33 N ATOM 694 CA PHE A 43 -10.464 -7.925 -0.722 1.00 2.43 C ATOM 695 C PHE A 43 -11.862 -7.691 -1.310 1.00 74.32 C ATOM 696 O PHE A 43 -12.037 -7.579 -2.526 1.00 20.34 O ATOM 697 CB PHE A 43 -10.285 -9.415 -0.377 1.00 13.54 C ATOM 698 CG PHE A 43 -8.923 -9.784 0.180 1.00 40.41 C ATOM 699 CD1 PHE A 43 -7.883 -8.862 0.220 1.00 14.41 C ATOM 700 CD2 PHE A 43 -8.688 -11.066 0.661 1.00 12.22 C ATOM 701 CE1 PHE A 43 -6.645 -9.212 0.728 1.00 23.30 C ATOM 702 CE2 PHE A 43 -7.451 -11.418 1.169 1.00 55.34 C ATOM 703 CZ PHE A 43 -6.429 -10.490 1.202 1.00 65.15 C ATOM 0 H PHE A 43 -10.032 -7.617 1.315 1.00 23.33 H new ATOM 0 HA PHE A 43 -9.719 -7.643 -1.466 1.00 2.43 H new ATOM 0 HB2 PHE A 43 -11.047 -9.699 0.349 1.00 13.54 H new ATOM 0 HB3 PHE A 43 -10.466 -10.005 -1.276 1.00 13.54 H new ATOM 0 HD1 PHE A 43 -8.044 -7.860 -0.150 1.00 14.41 H new ATOM 0 HD2 PHE A 43 -9.482 -11.798 0.638 1.00 12.22 H new ATOM 0 HE1 PHE A 43 -5.847 -8.485 0.754 1.00 23.30 H new ATOM 0 HE2 PHE A 43 -7.284 -12.419 1.540 1.00 55.34 H new ATOM 0 HZ PHE A 43 -5.462 -10.764 1.598 1.00 65.15 H new ATOM 713 N SER A 44 -12.849 -7.608 -0.424 1.00 3.05 N ATOM 714 CA SER A 44 -14.232 -7.308 -0.812 1.00 22.21 C ATOM 715 C SER A 44 -14.342 -5.954 -1.532 1.00 1.22 C ATOM 716 O SER A 44 -14.916 -5.860 -2.618 1.00 60.42 O ATOM 717 CB SER A 44 -15.131 -7.309 0.433 1.00 41.42 C ATOM 718 OG SER A 44 -16.435 -6.840 0.135 1.00 64.21 O ATOM 0 H SER A 44 -12.719 -7.745 0.578 1.00 3.05 H new ATOM 0 HA SER A 44 -14.559 -8.082 -1.507 1.00 22.21 H new ATOM 0 HB2 SER A 44 -15.191 -8.319 0.839 1.00 41.42 H new ATOM 0 HB3 SER A 44 -14.685 -6.681 1.205 1.00 41.42 H new ATOM 0 HG SER A 44 -16.982 -6.855 0.948 1.00 64.21 H new ATOM 724 N PHE A 45 -13.768 -4.910 -0.931 1.00 13.11 N ATOM 725 CA PHE A 45 -13.852 -3.548 -1.478 1.00 3.54 C ATOM 726 C PHE A 45 -13.287 -3.462 -2.904 1.00 42.31 C ATOM 727 O PHE A 45 -13.963 -2.988 -3.823 1.00 22.22 O ATOM 728 CB PHE A 45 -13.111 -2.556 -0.564 1.00 4.41 C ATOM 729 CG PHE A 45 -13.118 -1.140 -1.086 1.00 33.41 C ATOM 730 CD1 PHE A 45 -14.239 -0.336 -0.933 1.00 40.45 C ATOM 731 CD2 PHE A 45 -12.009 -0.617 -1.737 1.00 41.14 C ATOM 732 CE1 PHE A 45 -14.253 0.955 -1.421 1.00 64.21 C ATOM 733 CE2 PHE A 45 -12.020 0.675 -2.225 1.00 41.53 C ATOM 734 CZ PHE A 45 -13.144 1.461 -2.068 1.00 60.25 C ATOM 0 H PHE A 45 -13.238 -4.979 -0.062 1.00 13.11 H new ATOM 0 HA PHE A 45 -14.909 -3.285 -1.522 1.00 3.54 H new ATOM 0 HB2 PHE A 45 -13.569 -2.573 0.425 1.00 4.41 H new ATOM 0 HB3 PHE A 45 -12.079 -2.886 -0.443 1.00 4.41 H new ATOM 0 HD1 PHE A 45 -15.110 -0.725 -0.426 1.00 40.45 H new ATOM 0 HD2 PHE A 45 -11.127 -1.228 -1.863 1.00 41.14 H new ATOM 0 HE1 PHE A 45 -15.132 1.570 -1.296 1.00 64.21 H new ATOM 0 HE2 PHE A 45 -11.150 1.070 -2.729 1.00 41.53 H new ATOM 0 HZ PHE A 45 -13.155 2.471 -2.451 1.00 60.25 H new ATOM 744 N MET A 46 -12.049 -3.914 -3.085 1.00 70.02 N ATOM 745 CA MET A 46 -11.392 -3.849 -4.392 1.00 53.32 C ATOM 746 C MET A 46 -12.135 -4.698 -5.445 1.00 21.41 C ATOM 747 O MET A 46 -12.161 -4.357 -6.629 1.00 13.41 O ATOM 748 CB MET A 46 -9.922 -4.277 -4.269 1.00 1.22 C ATOM 749 CG MET A 46 -9.723 -5.703 -3.772 1.00 53.21 C ATOM 750 SD MET A 46 -7.986 -6.091 -3.464 1.00 1.33 S ATOM 751 CE MET A 46 -7.248 -5.656 -5.038 1.00 32.00 C ATOM 0 H MET A 46 -11.480 -4.329 -2.347 1.00 70.02 H new ATOM 0 HA MET A 46 -11.424 -2.815 -4.736 1.00 53.32 H new ATOM 0 HB2 MET A 46 -9.443 -4.174 -5.243 1.00 1.22 H new ATOM 0 HB3 MET A 46 -9.413 -3.594 -3.590 1.00 1.22 H new ATOM 0 HG2 MET A 46 -10.293 -5.847 -2.854 1.00 53.21 H new ATOM 0 HG3 MET A 46 -10.123 -6.400 -4.508 1.00 53.21 H new ATOM 0 HE1 MET A 46 -6.166 -5.775 -4.978 1.00 32.00 H new ATOM 0 HE2 MET A 46 -7.642 -6.309 -5.817 1.00 32.00 H new ATOM 0 HE3 MET A 46 -7.487 -4.620 -5.278 1.00 32.00 H new ATOM 761 N GLN A 47 -12.762 -5.789 -5.008 1.00 52.02 N ATOM 762 CA GLN A 47 -13.559 -6.631 -5.906 1.00 63.04 C ATOM 763 C GLN A 47 -14.823 -5.895 -6.390 1.00 12.44 C ATOM 764 O GLN A 47 -15.219 -6.018 -7.551 1.00 63.05 O ATOM 765 CB GLN A 47 -13.939 -7.942 -5.203 1.00 2.43 C ATOM 766 CG GLN A 47 -14.813 -8.866 -6.045 1.00 5.15 C ATOM 767 CD GLN A 47 -15.047 -10.212 -5.384 1.00 63.41 C ATOM 768 OE1 GLN A 47 -15.986 -10.384 -4.614 1.00 21.23 O ATOM 769 NE2 GLN A 47 -14.201 -11.178 -5.683 1.00 3.41 N ATOM 0 H GLN A 47 -12.735 -6.112 -4.041 1.00 52.02 H new ATOM 0 HA GLN A 47 -12.952 -6.860 -6.782 1.00 63.04 H new ATOM 0 HB2 GLN A 47 -13.027 -8.472 -4.928 1.00 2.43 H new ATOM 0 HB3 GLN A 47 -14.463 -7.707 -4.277 1.00 2.43 H new ATOM 0 HG2 GLN A 47 -15.773 -8.384 -6.229 1.00 5.15 H new ATOM 0 HG3 GLN A 47 -14.343 -9.019 -7.016 1.00 5.15 H new ATOM 0 HE21 GLN A 47 -13.431 -11.000 -6.328 1.00 3.41 H new ATOM 0 HE22 GLN A 47 -14.317 -12.103 -5.270 1.00 3.41 H new ATOM 778 N LYS A 48 -15.443 -5.117 -5.499 1.00 31.20 N ATOM 779 CA LYS A 48 -16.638 -4.324 -5.843 1.00 1.20 C ATOM 780 C LYS A 48 -16.378 -3.388 -7.038 1.00 32.43 C ATOM 781 O LYS A 48 -17.210 -3.263 -7.934 1.00 60.54 O ATOM 782 CB LYS A 48 -17.093 -3.497 -4.631 1.00 44.53 C ATOM 783 CG LYS A 48 -17.498 -4.340 -3.424 1.00 52.05 C ATOM 784 CD LYS A 48 -17.704 -3.483 -2.176 1.00 75.44 C ATOM 785 CE LYS A 48 -18.022 -4.332 -0.948 1.00 50.14 C ATOM 786 NZ LYS A 48 -18.152 -3.507 0.286 1.00 14.32 N ATOM 0 H LYS A 48 -15.140 -5.016 -4.530 1.00 31.20 H new ATOM 0 HA LYS A 48 -17.424 -5.024 -6.126 1.00 1.20 H new ATOM 0 HB2 LYS A 48 -16.286 -2.825 -4.338 1.00 44.53 H new ATOM 0 HB3 LYS A 48 -17.937 -2.873 -4.925 1.00 44.53 H new ATOM 0 HG2 LYS A 48 -18.418 -4.880 -3.650 1.00 52.05 H new ATOM 0 HG3 LYS A 48 -16.729 -5.088 -3.229 1.00 52.05 H new ATOM 0 HD2 LYS A 48 -16.806 -2.894 -1.988 1.00 75.44 H new ATOM 0 HD3 LYS A 48 -18.517 -2.778 -2.350 1.00 75.44 H new ATOM 0 HE2 LYS A 48 -18.949 -4.880 -1.117 1.00 50.14 H new ATOM 0 HE3 LYS A 48 -17.235 -5.073 -0.807 1.00 50.14 H new ATOM 0 HZ1 LYS A 48 -18.368 -4.124 1.095 1.00 14.32 H new ATOM 0 HZ2 LYS A 48 -17.259 -3.004 0.463 1.00 14.32 H new ATOM 0 HZ3 LYS A 48 -18.920 -2.816 0.163 1.00 14.32 H new ATOM 800 N ARG A 49 -15.212 -2.741 -7.049 1.00 2.51 N ATOM 801 CA ARG A 49 -14.846 -1.823 -8.142 1.00 41.23 C ATOM 802 C ARG A 49 -14.240 -2.565 -9.350 1.00 24.24 C ATOM 803 O ARG A 49 -13.711 -1.941 -10.270 1.00 74.41 O ATOM 804 CB ARG A 49 -13.873 -0.742 -7.642 1.00 13.22 C ATOM 805 CG ARG A 49 -12.670 -1.287 -6.877 1.00 11.40 C ATOM 806 CD ARG A 49 -11.658 -0.193 -6.548 1.00 64.44 C ATOM 807 NE ARG A 49 -10.886 0.225 -7.723 1.00 3.45 N ATOM 808 CZ ARG A 49 -10.585 1.465 -8.014 1.00 12.33 C ATOM 809 NH1 ARG A 49 -11.052 2.444 -7.309 1.00 1.33 N ATOM 810 NH2 ARG A 49 -9.824 1.718 -9.028 1.00 53.04 N ATOM 0 H ARG A 49 -14.504 -2.831 -6.320 1.00 2.51 H new ATOM 0 HA ARG A 49 -15.767 -1.347 -8.478 1.00 41.23 H new ATOM 0 HB2 ARG A 49 -13.516 -0.168 -8.497 1.00 13.22 H new ATOM 0 HB3 ARG A 49 -14.416 -0.051 -6.998 1.00 13.22 H new ATOM 0 HG2 ARG A 49 -13.010 -1.756 -5.954 1.00 11.40 H new ATOM 0 HG3 ARG A 49 -12.185 -2.063 -7.469 1.00 11.40 H new ATOM 0 HD2 ARG A 49 -12.181 0.669 -6.134 1.00 64.44 H new ATOM 0 HD3 ARG A 49 -10.976 -0.552 -5.777 1.00 64.44 H new ATOM 0 HE ARG A 49 -10.560 -0.503 -8.359 1.00 3.45 H new ATOM 0 HH11 ARG A 49 -11.663 2.254 -6.515 1.00 1.33 H new ATOM 0 HH12 ARG A 49 -10.809 3.406 -7.547 1.00 1.33 H new ATOM 0 HH21 ARG A 49 -9.461 0.953 -9.597 1.00 53.04 H new ATOM 0 HH22 ARG A 49 -9.586 2.683 -9.259 1.00 53.04 H new ATOM 824 N GLY A 50 -14.322 -3.893 -9.347 1.00 25.14 N ATOM 825 CA GLY A 50 -13.858 -4.677 -10.488 1.00 35.01 C ATOM 826 C GLY A 50 -12.345 -4.884 -10.526 1.00 2.14 C ATOM 827 O GLY A 50 -11.726 -4.791 -11.590 1.00 61.22 O ATOM 0 H GLY A 50 -14.701 -4.444 -8.577 1.00 25.14 H new ATOM 0 HA2 GLY A 50 -14.347 -5.651 -10.470 1.00 35.01 H new ATOM 0 HA3 GLY A 50 -14.170 -4.181 -11.407 1.00 35.01 H new ATOM 831 N THR A 51 -11.746 -5.153 -9.370 1.00 31.21 N ATOM 832 CA THR A 51 -10.314 -5.487 -9.289 1.00 43.34 C ATOM 833 C THR A 51 -9.996 -6.300 -8.022 1.00 32.11 C ATOM 834 O THR A 51 -9.508 -5.758 -7.033 1.00 3.33 O ATOM 835 CB THR A 51 -9.403 -4.223 -9.338 1.00 52.33 C ATOM 836 OG1 THR A 51 -8.042 -4.573 -9.025 1.00 42.31 O ATOM 837 CG2 THR A 51 -9.885 -3.141 -8.375 1.00 53.41 C ATOM 0 H THR A 51 -12.225 -5.148 -8.470 1.00 31.21 H new ATOM 0 HA THR A 51 -10.098 -6.094 -10.168 1.00 43.34 H new ATOM 0 HB THR A 51 -9.455 -3.825 -10.352 1.00 52.33 H new ATOM 0 HG1 THR A 51 -7.481 -3.770 -9.061 1.00 42.31 H new ATOM 0 HG21 THR A 51 -9.224 -2.277 -8.439 1.00 53.41 H new ATOM 0 HG22 THR A 51 -10.899 -2.843 -8.641 1.00 53.41 H new ATOM 0 HG23 THR A 51 -9.876 -3.530 -7.357 1.00 53.41 H new ATOM 845 N PRO A 52 -10.296 -7.612 -8.023 1.00 22.31 N ATOM 846 CA PRO A 52 -10.015 -8.493 -6.877 1.00 43.32 C ATOM 847 C PRO A 52 -8.522 -8.848 -6.751 1.00 63.05 C ATOM 848 O PRO A 52 -7.683 -8.352 -7.508 1.00 60.12 O ATOM 849 CB PRO A 52 -10.852 -9.758 -7.175 1.00 40.53 C ATOM 850 CG PRO A 52 -11.682 -9.427 -8.378 1.00 75.32 C ATOM 851 CD PRO A 52 -10.939 -8.349 -9.116 1.00 3.24 C ATOM 0 HA PRO A 52 -10.267 -8.014 -5.931 1.00 43.32 H new ATOM 0 HB2 PRO A 52 -10.208 -10.616 -7.369 1.00 40.53 H new ATOM 0 HB3 PRO A 52 -11.483 -10.018 -6.325 1.00 40.53 H new ATOM 0 HG2 PRO A 52 -11.821 -10.305 -9.008 1.00 75.32 H new ATOM 0 HG3 PRO A 52 -12.674 -9.085 -8.084 1.00 75.32 H new ATOM 0 HD2 PRO A 52 -10.210 -8.761 -9.813 1.00 3.24 H new ATOM 0 HD3 PRO A 52 -11.610 -7.715 -9.695 1.00 3.24 H new ATOM 859 N VAL A 53 -8.195 -9.710 -5.791 1.00 42.13 N ATOM 860 CA VAL A 53 -6.812 -10.144 -5.585 1.00 4.51 C ATOM 861 C VAL A 53 -6.408 -11.228 -6.595 1.00 23.21 C ATOM 862 O VAL A 53 -7.001 -12.306 -6.635 1.00 43.23 O ATOM 863 CB VAL A 53 -6.602 -10.678 -4.146 1.00 31.02 C ATOM 864 CG1 VAL A 53 -5.152 -11.111 -3.925 1.00 64.32 C ATOM 865 CG2 VAL A 53 -7.021 -9.627 -3.118 1.00 54.32 C ATOM 0 H VAL A 53 -8.867 -10.122 -5.143 1.00 42.13 H new ATOM 0 HA VAL A 53 -6.179 -9.270 -5.736 1.00 4.51 H new ATOM 0 HB VAL A 53 -7.234 -11.557 -4.015 1.00 31.02 H new ATOM 0 HG11 VAL A 53 -5.034 -11.481 -2.907 1.00 64.32 H new ATOM 0 HG12 VAL A 53 -4.897 -11.902 -4.630 1.00 64.32 H new ATOM 0 HG13 VAL A 53 -4.490 -10.259 -4.080 1.00 64.32 H new ATOM 0 HG21 VAL A 53 -6.867 -10.019 -2.113 1.00 54.32 H new ATOM 0 HG22 VAL A 53 -6.421 -8.727 -3.252 1.00 54.32 H new ATOM 0 HG23 VAL A 53 -8.075 -9.384 -3.255 1.00 54.32 H new ATOM 875 N ASN A 54 -5.409 -10.926 -7.421 1.00 5.50 N ATOM 876 CA ASN A 54 -4.883 -11.892 -8.393 1.00 31.04 C ATOM 877 C ASN A 54 -4.007 -12.947 -7.693 1.00 51.30 C ATOM 878 O ASN A 54 -4.338 -14.130 -7.667 1.00 53.42 O ATOM 879 CB ASN A 54 -4.079 -11.152 -9.473 1.00 61.41 C ATOM 880 CG ASN A 54 -3.543 -12.075 -10.554 1.00 71.10 C ATOM 881 OD1 ASN A 54 -4.147 -13.092 -10.880 1.00 14.42 O ATOM 882 ND2 ASN A 54 -2.405 -11.729 -11.122 1.00 52.42 N ATOM 0 H ASN A 54 -4.944 -10.018 -7.439 1.00 5.50 H new ATOM 0 HA ASN A 54 -5.719 -12.409 -8.864 1.00 31.04 H new ATOM 0 HB2 ASN A 54 -4.712 -10.393 -9.933 1.00 61.41 H new ATOM 0 HB3 ASN A 54 -3.245 -10.630 -9.003 1.00 61.41 H new ATOM 0 HD21 ASN A 54 -2.002 -12.313 -11.855 1.00 52.42 H new ATOM 0 HD22 ASN A 54 -1.927 -10.877 -10.829 1.00 52.42 H new ATOM 889 N ARG A 55 -2.874 -12.500 -7.157 1.00 62.51 N ATOM 890 CA ARG A 55 -1.990 -13.350 -6.348 1.00 11.22 C ATOM 891 C ARG A 55 -1.215 -12.492 -5.335 1.00 22.41 C ATOM 892 O ARG A 55 -0.913 -11.324 -5.605 1.00 23.10 O ATOM 893 CB ARG A 55 -1.024 -14.146 -7.242 1.00 45.31 C ATOM 894 CG ARG A 55 -0.268 -13.298 -8.260 1.00 63.52 C ATOM 895 CD ARG A 55 0.748 -14.125 -9.043 1.00 3.23 C ATOM 896 NE ARG A 55 1.360 -13.355 -10.126 1.00 13.41 N ATOM 897 CZ ARG A 55 2.644 -13.256 -10.337 1.00 32.22 C ATOM 898 NH1 ARG A 55 3.497 -13.829 -9.549 1.00 70.15 N ATOM 899 NH2 ARG A 55 3.076 -12.573 -11.346 1.00 55.41 N ATOM 0 H ARG A 55 -2.540 -11.543 -7.268 1.00 62.51 H new ATOM 0 HA ARG A 55 -2.603 -14.066 -5.801 1.00 11.22 H new ATOM 0 HB2 ARG A 55 -0.302 -14.661 -6.608 1.00 45.31 H new ATOM 0 HB3 ARG A 55 -1.587 -14.913 -7.773 1.00 45.31 H new ATOM 0 HG2 ARG A 55 -0.977 -12.843 -8.952 1.00 63.52 H new ATOM 0 HG3 ARG A 55 0.244 -12.484 -7.747 1.00 63.52 H new ATOM 0 HD2 ARG A 55 1.525 -14.481 -8.366 1.00 3.23 H new ATOM 0 HD3 ARG A 55 0.257 -15.006 -9.456 1.00 3.23 H new ATOM 0 HE ARG A 55 0.737 -12.859 -10.763 1.00 13.41 H new ATOM 0 HH11 ARG A 55 3.169 -14.368 -8.748 1.00 70.15 H new ATOM 0 HH12 ARG A 55 4.497 -13.741 -9.729 1.00 70.15 H new ATOM 0 HH21 ARG A 55 2.414 -12.115 -11.973 1.00 55.41 H new ATOM 0 HH22 ARG A 55 4.079 -12.492 -11.516 1.00 55.41 H new ATOM 913 N ILE A 56 -0.869 -13.070 -4.190 1.00 24.21 N ATOM 914 CA ILE A 56 -0.254 -12.310 -3.097 1.00 51.05 C ATOM 915 C ILE A 56 1.198 -11.903 -3.415 1.00 31.13 C ATOM 916 O ILE A 56 1.980 -12.694 -3.947 1.00 51.53 O ATOM 917 CB ILE A 56 -0.295 -13.106 -1.764 1.00 32.55 C ATOM 918 CG1 ILE A 56 -1.754 -13.377 -1.355 1.00 45.13 C ATOM 919 CG2 ILE A 56 0.451 -12.355 -0.654 1.00 62.53 C ATOM 920 CD1 ILE A 56 -1.901 -14.126 -0.049 1.00 24.05 C ATOM 0 H ILE A 56 -1.002 -14.061 -3.990 1.00 24.21 H new ATOM 0 HA ILE A 56 -0.843 -11.400 -2.986 1.00 51.05 H new ATOM 0 HB ILE A 56 0.208 -14.061 -1.916 1.00 32.55 H new ATOM 0 HG12 ILE A 56 -2.281 -12.426 -1.277 1.00 45.13 H new ATOM 0 HG13 ILE A 56 -2.242 -13.948 -2.145 1.00 45.13 H new ATOM 0 HG21 ILE A 56 0.408 -12.933 0.269 1.00 62.53 H new ATOM 0 HG22 ILE A 56 1.492 -12.215 -0.946 1.00 62.53 H new ATOM 0 HG23 ILE A 56 -0.016 -11.383 -0.495 1.00 62.53 H new ATOM 0 HD11 ILE A 56 -2.959 -14.277 0.167 1.00 24.05 H new ATOM 0 HD12 ILE A 56 -1.405 -15.094 -0.127 1.00 24.05 H new ATOM 0 HD13 ILE A 56 -1.445 -13.548 0.755 1.00 24.05 H new ATOM 932 N PRO A 57 1.569 -10.638 -3.119 1.00 1.12 N ATOM 933 CA PRO A 57 2.946 -10.150 -3.299 1.00 71.24 C ATOM 934 C PRO A 57 3.947 -10.826 -2.345 1.00 71.22 C ATOM 935 O PRO A 57 3.847 -10.694 -1.121 1.00 63.41 O ATOM 936 CB PRO A 57 2.848 -8.640 -2.992 1.00 21.22 C ATOM 937 CG PRO A 57 1.386 -8.320 -2.993 1.00 45.13 C ATOM 938 CD PRO A 57 0.678 -9.585 -2.605 1.00 10.12 C ATOM 0 HA PRO A 57 3.317 -10.370 -4.300 1.00 71.24 H new ATOM 0 HB2 PRO A 57 3.299 -8.407 -2.028 1.00 21.22 H new ATOM 0 HB3 PRO A 57 3.378 -8.053 -3.742 1.00 21.22 H new ATOM 0 HG2 PRO A 57 1.163 -7.518 -2.289 1.00 45.13 H new ATOM 0 HG3 PRO A 57 1.063 -7.980 -3.977 1.00 45.13 H new ATOM 0 HD2 PRO A 57 0.548 -9.659 -1.525 1.00 10.12 H new ATOM 0 HD3 PRO A 57 -0.315 -9.644 -3.051 1.00 10.12 H new ATOM 946 N ILE A 58 4.902 -11.561 -2.910 1.00 71.42 N ATOM 947 CA ILE A 58 5.966 -12.187 -2.121 1.00 53.42 C ATOM 948 C ILE A 58 7.210 -11.291 -2.077 1.00 0.14 C ATOM 949 O ILE A 58 7.817 -10.992 -3.107 1.00 2.31 O ATOM 950 CB ILE A 58 6.346 -13.579 -2.681 1.00 63.41 C ATOM 951 CG1 ILE A 58 5.132 -14.522 -2.623 1.00 1.21 C ATOM 952 CG2 ILE A 58 7.532 -14.172 -1.917 1.00 12.23 C ATOM 953 CD1 ILE A 58 4.585 -14.743 -1.225 1.00 71.03 C ATOM 0 H ILE A 58 4.963 -11.739 -3.912 1.00 71.42 H new ATOM 0 HA ILE A 58 5.582 -12.317 -1.109 1.00 53.42 H new ATOM 0 HB ILE A 58 6.647 -13.462 -3.722 1.00 63.41 H new ATOM 0 HG12 ILE A 58 4.340 -14.116 -3.251 1.00 1.21 H new ATOM 0 HG13 ILE A 58 5.413 -15.486 -3.048 1.00 1.21 H new ATOM 0 HG21 ILE A 58 7.779 -15.150 -2.330 1.00 12.23 H new ATOM 0 HG22 ILE A 58 8.393 -13.510 -2.011 1.00 12.23 H new ATOM 0 HG23 ILE A 58 7.270 -14.279 -0.864 1.00 12.23 H new ATOM 0 HD11 ILE A 58 3.731 -15.419 -1.271 1.00 71.03 H new ATOM 0 HD12 ILE A 58 5.360 -15.180 -0.596 1.00 71.03 H new ATOM 0 HD13 ILE A 58 4.270 -13.789 -0.803 1.00 71.03 H new ATOM 965 N MET A 59 7.576 -10.864 -0.876 1.00 52.44 N ATOM 966 CA MET A 59 8.695 -9.943 -0.680 1.00 61.35 C ATOM 967 C MET A 59 9.732 -10.554 0.277 1.00 60.15 C ATOM 968 O MET A 59 9.375 -11.024 1.356 1.00 53.45 O ATOM 969 CB MET A 59 8.159 -8.624 -0.108 1.00 52.53 C ATOM 970 CG MET A 59 9.102 -7.442 -0.267 1.00 31.40 C ATOM 971 SD MET A 59 9.407 -7.029 -1.997 1.00 2.13 S ATOM 972 CE MET A 59 10.134 -5.404 -1.830 1.00 64.15 C ATOM 0 H MET A 59 7.110 -11.143 -0.012 1.00 52.44 H new ATOM 0 HA MET A 59 9.184 -9.757 -1.636 1.00 61.35 H new ATOM 0 HB2 MET A 59 7.214 -8.388 -0.597 1.00 52.53 H new ATOM 0 HB3 MET A 59 7.944 -8.762 0.952 1.00 52.53 H new ATOM 0 HG2 MET A 59 8.681 -6.575 0.241 1.00 31.40 H new ATOM 0 HG3 MET A 59 10.050 -7.669 0.221 1.00 31.40 H new ATOM 0 HE1 MET A 59 9.617 -4.705 -2.488 1.00 64.15 H new ATOM 0 HE2 MET A 59 10.040 -5.068 -0.797 1.00 64.15 H new ATOM 0 HE3 MET A 59 11.188 -5.447 -2.103 1.00 64.15 H new ATOM 982 N ALA A 60 11.008 -10.557 -0.120 1.00 42.30 N ATOM 983 CA ALA A 60 12.088 -11.115 0.717 1.00 11.01 C ATOM 984 C ALA A 60 11.915 -12.629 0.952 1.00 21.41 C ATOM 985 O ALA A 60 12.330 -13.155 1.986 1.00 74.33 O ATOM 986 CB ALA A 60 12.159 -10.374 2.051 1.00 11.13 C ATOM 0 H ALA A 60 11.324 -10.181 -1.014 1.00 42.30 H new ATOM 0 HA ALA A 60 13.025 -10.975 0.178 1.00 11.01 H new ATOM 0 HB1 ALA A 60 12.960 -10.795 2.659 1.00 11.13 H new ATOM 0 HB2 ALA A 60 12.358 -9.318 1.870 1.00 11.13 H new ATOM 0 HB3 ALA A 60 11.210 -10.480 2.577 1.00 11.13 H new ATOM 992 N LYS A 61 11.330 -13.317 -0.035 1.00 32.34 N ATOM 993 CA LYS A 61 11.052 -14.768 0.035 1.00 44.42 C ATOM 994 C LYS A 61 9.890 -15.099 0.992 1.00 71.31 C ATOM 995 O LYS A 61 9.582 -16.270 1.217 1.00 25.34 O ATOM 996 CB LYS A 61 12.306 -15.570 0.447 1.00 3.42 C ATOM 997 CG LYS A 61 13.510 -15.369 -0.470 1.00 30.05 C ATOM 998 CD LYS A 61 13.221 -15.797 -1.905 1.00 52.45 C ATOM 999 CE LYS A 61 14.443 -15.602 -2.790 1.00 20.03 C ATOM 1000 NZ LYS A 61 14.213 -16.033 -4.195 1.00 4.30 N ATOM 0 H LYS A 61 11.032 -12.887 -0.911 1.00 32.34 H new ATOM 0 HA LYS A 61 10.757 -15.064 -0.972 1.00 44.42 H new ATOM 0 HB2 LYS A 61 12.586 -15.288 1.462 1.00 3.42 H new ATOM 0 HB3 LYS A 61 12.054 -16.630 0.469 1.00 3.42 H new ATOM 0 HG2 LYS A 61 13.802 -14.319 -0.458 1.00 30.05 H new ATOM 0 HG3 LYS A 61 14.356 -15.939 -0.086 1.00 30.05 H new ATOM 0 HD2 LYS A 61 12.919 -16.844 -1.922 1.00 52.45 H new ATOM 0 HD3 LYS A 61 12.386 -15.218 -2.300 1.00 52.45 H new ATOM 0 HE2 LYS A 61 14.729 -14.550 -2.780 1.00 20.03 H new ATOM 0 HE3 LYS A 61 15.280 -16.164 -2.375 1.00 20.03 H new ATOM 0 HZ1 LYS A 61 15.078 -15.878 -4.752 1.00 4.30 H new ATOM 0 HZ2 LYS A 61 13.967 -17.043 -4.212 1.00 4.30 H new ATOM 0 HZ3 LYS A 61 13.433 -15.480 -4.605 1.00 4.30 H new ATOM 1014 N GLN A 62 9.244 -14.076 1.544 1.00 31.05 N ATOM 1015 CA GLN A 62 8.110 -14.277 2.455 1.00 74.11 C ATOM 1016 C GLN A 62 6.885 -13.469 2.007 1.00 35.50 C ATOM 1017 O GLN A 62 6.948 -12.699 1.048 1.00 21.11 O ATOM 1018 CB GLN A 62 8.491 -13.886 3.892 1.00 11.45 C ATOM 1019 CG GLN A 62 8.970 -12.443 4.035 1.00 62.42 C ATOM 1020 CD GLN A 62 9.029 -11.983 5.482 1.00 4.02 C ATOM 1021 OE1 GLN A 62 10.035 -12.150 6.164 1.00 72.11 O ATOM 1022 NE2 GLN A 62 7.952 -11.391 5.956 1.00 54.52 N ATOM 0 H GLN A 62 9.483 -13.098 1.380 1.00 31.05 H new ATOM 0 HA GLN A 62 7.854 -15.336 2.429 1.00 74.11 H new ATOM 0 HB2 GLN A 62 7.628 -14.038 4.540 1.00 11.45 H new ATOM 0 HB3 GLN A 62 9.276 -14.555 4.244 1.00 11.45 H new ATOM 0 HG2 GLN A 62 9.959 -12.347 3.587 1.00 62.42 H new ATOM 0 HG3 GLN A 62 8.303 -11.786 3.477 1.00 62.42 H new ATOM 0 HE21 GLN A 62 7.133 -11.269 5.360 1.00 54.52 H new ATOM 0 HE22 GLN A 62 7.937 -11.055 6.919 1.00 54.52 H new ATOM 1031 N VAL A 63 5.770 -13.654 2.703 1.00 45.14 N ATOM 1032 CA VAL A 63 4.547 -12.900 2.415 1.00 1.43 C ATOM 1033 C VAL A 63 4.694 -11.414 2.790 1.00 44.53 C ATOM 1034 O VAL A 63 5.301 -11.074 3.808 1.00 33.44 O ATOM 1035 CB VAL A 63 3.331 -13.500 3.168 1.00 2.22 C ATOM 1036 CG1 VAL A 63 3.530 -13.427 4.683 1.00 21.20 C ATOM 1037 CG2 VAL A 63 2.038 -12.802 2.748 1.00 74.24 C ATOM 0 H VAL A 63 5.683 -14.319 3.472 1.00 45.14 H new ATOM 0 HA VAL A 63 4.377 -12.974 1.341 1.00 1.43 H new ATOM 0 HB VAL A 63 3.251 -14.553 2.896 1.00 2.22 H new ATOM 0 HG11 VAL A 63 2.662 -13.855 5.185 1.00 21.20 H new ATOM 0 HG12 VAL A 63 4.423 -13.988 4.960 1.00 21.20 H new ATOM 0 HG13 VAL A 63 3.647 -12.386 4.985 1.00 21.20 H new ATOM 0 HG21 VAL A 63 1.197 -13.238 3.288 1.00 74.24 H new ATOM 0 HG22 VAL A 63 2.106 -11.739 2.980 1.00 74.24 H new ATOM 0 HG23 VAL A 63 1.887 -12.930 1.676 1.00 74.24 H new ATOM 1047 N LEU A 64 4.151 -10.538 1.949 1.00 5.21 N ATOM 1048 CA LEU A 64 4.128 -9.102 2.232 1.00 50.24 C ATOM 1049 C LEU A 64 2.896 -8.739 3.081 1.00 40.41 C ATOM 1050 O LEU A 64 1.760 -8.822 2.608 1.00 64.12 O ATOM 1051 CB LEU A 64 4.121 -8.308 0.914 1.00 61.32 C ATOM 1052 CG LEU A 64 4.192 -6.776 1.052 1.00 32.50 C ATOM 1053 CD1 LEU A 64 5.467 -6.356 1.775 1.00 41.01 C ATOM 1054 CD2 LEU A 64 4.108 -6.106 -0.317 1.00 42.43 C ATOM 0 H LEU A 64 3.719 -10.797 1.062 1.00 5.21 H new ATOM 0 HA LEU A 64 5.023 -8.842 2.797 1.00 50.24 H new ATOM 0 HB2 LEU A 64 4.965 -8.638 0.309 1.00 61.32 H new ATOM 0 HB3 LEU A 64 3.215 -8.562 0.364 1.00 61.32 H new ATOM 0 HG LEU A 64 3.339 -6.450 1.647 1.00 32.50 H new ATOM 0 HD11 LEU A 64 5.496 -5.270 1.861 1.00 41.01 H new ATOM 0 HD12 LEU A 64 5.484 -6.799 2.771 1.00 41.01 H new ATOM 0 HD13 LEU A 64 6.335 -6.698 1.211 1.00 41.01 H new ATOM 0 HD21 LEU A 64 4.160 -5.024 -0.196 1.00 42.43 H new ATOM 0 HD22 LEU A 64 4.938 -6.442 -0.938 1.00 42.43 H new ATOM 0 HD23 LEU A 64 3.166 -6.373 -0.795 1.00 42.43 H new ATOM 1066 N ASP A 65 3.128 -8.366 4.339 1.00 23.21 N ATOM 1067 CA ASP A 65 2.046 -7.981 5.256 1.00 75.10 C ATOM 1068 C ASP A 65 1.182 -6.842 4.682 1.00 32.21 C ATOM 1069 O ASP A 65 1.469 -5.668 4.904 1.00 52.55 O ATOM 1070 CB ASP A 65 2.627 -7.544 6.608 1.00 50.14 C ATOM 1071 CG ASP A 65 3.448 -8.629 7.282 1.00 43.13 C ATOM 1072 OD1 ASP A 65 4.493 -9.016 6.726 1.00 55.22 O ATOM 1073 OD2 ASP A 65 3.056 -9.090 8.375 1.00 53.02 O ATOM 0 H ASP A 65 4.060 -8.321 4.752 1.00 23.21 H new ATOM 0 HA ASP A 65 1.410 -8.856 5.389 1.00 75.10 H new ATOM 0 HB2 ASP A 65 3.251 -6.663 6.461 1.00 50.14 H new ATOM 0 HB3 ASP A 65 1.812 -7.250 7.269 1.00 50.14 H new ATOM 1078 N LEU A 66 0.129 -7.193 3.941 1.00 3.43 N ATOM 1079 CA LEU A 66 -0.779 -6.190 3.358 1.00 32.11 C ATOM 1080 C LEU A 66 -1.369 -5.258 4.433 1.00 5.42 C ATOM 1081 O LEU A 66 -1.434 -4.042 4.247 1.00 73.54 O ATOM 1082 CB LEU A 66 -1.911 -6.878 2.578 1.00 12.24 C ATOM 1083 CG LEU A 66 -1.463 -7.722 1.371 1.00 23.21 C ATOM 1084 CD1 LEU A 66 -2.668 -8.334 0.660 1.00 5.10 C ATOM 1085 CD2 LEU A 66 -0.635 -6.880 0.399 1.00 44.52 C ATOM 0 H LEU A 66 -0.120 -8.159 3.728 1.00 3.43 H new ATOM 0 HA LEU A 66 -0.191 -5.579 2.673 1.00 32.11 H new ATOM 0 HB2 LEU A 66 -2.464 -7.520 3.264 1.00 12.24 H new ATOM 0 HB3 LEU A 66 -2.605 -6.114 2.228 1.00 12.24 H new ATOM 0 HG LEU A 66 -0.836 -8.534 1.740 1.00 23.21 H new ATOM 0 HD11 LEU A 66 -2.327 -8.926 -0.189 1.00 5.10 H new ATOM 0 HD12 LEU A 66 -3.213 -8.975 1.353 1.00 5.10 H new ATOM 0 HD13 LEU A 66 -3.325 -7.539 0.308 1.00 5.10 H new ATOM 0 HD21 LEU A 66 -0.329 -7.496 -0.446 1.00 44.52 H new ATOM 0 HD22 LEU A 66 -1.235 -6.044 0.040 1.00 44.52 H new ATOM 0 HD23 LEU A 66 0.250 -6.499 0.910 1.00 44.52 H new ATOM 1097 N PHE A 67 -1.785 -5.837 5.560 1.00 42.21 N ATOM 1098 CA PHE A 67 -2.326 -5.056 6.684 1.00 42.05 C ATOM 1099 C PHE A 67 -1.307 -4.008 7.167 1.00 35.01 C ATOM 1100 O PHE A 67 -1.626 -2.826 7.301 1.00 72.25 O ATOM 1101 CB PHE A 67 -2.702 -5.998 7.845 1.00 5.21 C ATOM 1102 CG PHE A 67 -3.362 -5.314 9.028 1.00 63.13 C ATOM 1103 CD1 PHE A 67 -2.618 -4.546 9.917 1.00 62.25 C ATOM 1104 CD2 PHE A 67 -4.724 -5.448 9.252 1.00 45.41 C ATOM 1105 CE1 PHE A 67 -3.219 -3.929 10.999 1.00 42.02 C ATOM 1106 CE2 PHE A 67 -5.328 -4.834 10.333 1.00 42.30 C ATOM 1107 CZ PHE A 67 -4.576 -4.072 11.207 1.00 61.44 C ATOM 0 H PHE A 67 -1.760 -6.844 5.723 1.00 42.21 H new ATOM 0 HA PHE A 67 -3.218 -4.533 6.340 1.00 42.05 H new ATOM 0 HB2 PHE A 67 -3.374 -6.768 7.467 1.00 5.21 H new ATOM 0 HB3 PHE A 67 -1.801 -6.503 8.191 1.00 5.21 H new ATOM 0 HD1 PHE A 67 -1.556 -4.430 9.760 1.00 62.25 H new ATOM 0 HD2 PHE A 67 -5.320 -6.040 8.573 1.00 45.41 H new ATOM 0 HE1 PHE A 67 -2.627 -3.336 11.680 1.00 42.02 H new ATOM 0 HE2 PHE A 67 -6.389 -4.950 10.495 1.00 42.30 H new ATOM 0 HZ PHE A 67 -5.049 -3.590 12.050 1.00 61.44 H new ATOM 1117 N MET A 68 -0.076 -4.452 7.412 1.00 24.34 N ATOM 1118 CA MET A 68 0.972 -3.572 7.930 1.00 73.31 C ATOM 1119 C MET A 68 1.462 -2.597 6.849 1.00 12.23 C ATOM 1120 O MET A 68 1.858 -1.475 7.151 1.00 12.04 O ATOM 1121 CB MET A 68 2.143 -4.401 8.471 1.00 50.13 C ATOM 1122 CG MET A 68 1.742 -5.384 9.564 1.00 3.44 C ATOM 1123 SD MET A 68 0.910 -4.583 10.953 1.00 11.10 S ATOM 1124 CE MET A 68 2.196 -3.469 11.530 1.00 23.11 C ATOM 0 H MET A 68 0.221 -5.416 7.260 1.00 24.34 H new ATOM 0 HA MET A 68 0.548 -2.985 8.745 1.00 73.31 H new ATOM 0 HB2 MET A 68 2.598 -4.952 7.648 1.00 50.13 H new ATOM 0 HB3 MET A 68 2.904 -3.726 8.862 1.00 50.13 H new ATOM 0 HG2 MET A 68 1.084 -6.143 9.141 1.00 3.44 H new ATOM 0 HG3 MET A 68 2.631 -5.900 9.927 1.00 3.44 H new ATOM 0 HE1 MET A 68 1.934 -3.091 12.518 1.00 23.11 H new ATOM 0 HE2 MET A 68 3.143 -4.005 11.586 1.00 23.11 H new ATOM 0 HE3 MET A 68 2.292 -2.634 10.836 1.00 23.11 H new ATOM 1134 N LEU A 69 1.418 -3.030 5.592 1.00 40.21 N ATOM 1135 CA LEU A 69 1.795 -2.173 4.463 1.00 31.14 C ATOM 1136 C LEU A 69 0.909 -0.916 4.433 1.00 52.14 C ATOM 1137 O LEU A 69 1.401 0.205 4.283 1.00 45.12 O ATOM 1138 CB LEU A 69 1.667 -2.951 3.142 1.00 12.41 C ATOM 1139 CG LEU A 69 2.306 -2.279 1.913 1.00 14.12 C ATOM 1140 CD1 LEU A 69 3.815 -2.161 2.098 1.00 64.32 C ATOM 1141 CD2 LEU A 69 1.975 -3.055 0.639 1.00 51.13 C ATOM 0 H LEU A 69 1.125 -3.970 5.326 1.00 40.21 H new ATOM 0 HA LEU A 69 2.833 -1.864 4.586 1.00 31.14 H new ATOM 0 HB2 LEU A 69 2.120 -3.934 3.274 1.00 12.41 H new ATOM 0 HB3 LEU A 69 0.609 -3.113 2.937 1.00 12.41 H new ATOM 0 HG LEU A 69 1.892 -1.276 1.814 1.00 14.12 H new ATOM 0 HD11 LEU A 69 4.253 -1.684 1.221 1.00 64.32 H new ATOM 0 HD12 LEU A 69 4.027 -1.560 2.982 1.00 64.32 H new ATOM 0 HD13 LEU A 69 4.245 -3.155 2.223 1.00 64.32 H new ATOM 0 HD21 LEU A 69 2.436 -2.563 -0.217 1.00 51.13 H new ATOM 0 HD22 LEU A 69 2.358 -4.072 0.723 1.00 51.13 H new ATOM 0 HD23 LEU A 69 0.894 -3.085 0.501 1.00 51.13 H new ATOM 1153 N TYR A 70 -0.400 -1.120 4.593 1.00 31.14 N ATOM 1154 CA TYR A 70 -1.358 -0.013 4.723 1.00 44.43 C ATOM 1155 C TYR A 70 -0.975 0.913 5.891 1.00 74.03 C ATOM 1156 O TYR A 70 -0.866 2.129 5.725 1.00 24.34 O ATOM 1157 CB TYR A 70 -2.775 -0.574 4.932 1.00 1.34 C ATOM 1158 CG TYR A 70 -3.822 0.474 5.287 1.00 61.22 C ATOM 1159 CD1 TYR A 70 -4.422 1.258 4.306 1.00 62.34 C ATOM 1160 CD2 TYR A 70 -4.211 0.673 6.610 1.00 72.31 C ATOM 1161 CE1 TYR A 70 -5.375 2.207 4.633 1.00 5.44 C ATOM 1162 CE2 TYR A 70 -5.162 1.619 6.941 1.00 40.25 C ATOM 1163 CZ TYR A 70 -5.740 2.382 5.953 1.00 62.31 C ATOM 1164 OH TYR A 70 -6.688 3.323 6.285 1.00 60.12 O ATOM 0 H TYR A 70 -0.826 -2.046 4.636 1.00 31.14 H new ATOM 0 HA TYR A 70 -1.335 0.575 3.805 1.00 44.43 H new ATOM 0 HB2 TYR A 70 -3.087 -1.088 4.023 1.00 1.34 H new ATOM 0 HB3 TYR A 70 -2.743 -1.321 5.725 1.00 1.34 H new ATOM 0 HD1 TYR A 70 -4.139 1.124 3.272 1.00 62.34 H new ATOM 0 HD2 TYR A 70 -3.761 0.077 7.391 1.00 72.31 H new ATOM 0 HE1 TYR A 70 -5.831 2.807 3.860 1.00 5.44 H new ATOM 0 HE2 TYR A 70 -5.451 1.759 7.972 1.00 40.25 H new ATOM 0 HH TYR A 70 -6.829 3.317 7.255 1.00 60.12 H new ATOM 1174 N VAL A 71 -0.767 0.319 7.069 1.00 4.23 N ATOM 1175 CA VAL A 71 -0.399 1.071 8.280 1.00 31.14 C ATOM 1176 C VAL A 71 0.846 1.951 8.057 1.00 21.15 C ATOM 1177 O VAL A 71 0.813 3.161 8.301 1.00 62.24 O ATOM 1178 CB VAL A 71 -0.143 0.110 9.474 1.00 62.15 C ATOM 1179 CG1 VAL A 71 0.319 0.879 10.712 1.00 33.23 C ATOM 1180 CG2 VAL A 71 -1.398 -0.707 9.785 1.00 44.42 C ATOM 0 H VAL A 71 -0.847 -0.687 7.214 1.00 4.23 H new ATOM 0 HA VAL A 71 -1.242 1.722 8.512 1.00 31.14 H new ATOM 0 HB VAL A 71 0.655 -0.576 9.188 1.00 62.15 H new ATOM 0 HG11 VAL A 71 0.490 0.181 11.531 1.00 33.23 H new ATOM 0 HG12 VAL A 71 1.245 1.408 10.487 1.00 33.23 H new ATOM 0 HG13 VAL A 71 -0.448 1.597 11.002 1.00 33.23 H new ATOM 0 HG21 VAL A 71 -1.199 -1.374 10.624 1.00 44.42 H new ATOM 0 HG22 VAL A 71 -2.216 -0.034 10.042 1.00 44.42 H new ATOM 0 HG23 VAL A 71 -1.675 -1.296 8.911 1.00 44.42 H new ATOM 1190 N LEU A 72 1.926 1.340 7.574 1.00 64.13 N ATOM 1191 CA LEU A 72 3.190 2.050 7.330 1.00 1.45 C ATOM 1192 C LEU A 72 3.037 3.166 6.282 1.00 53.14 C ATOM 1193 O LEU A 72 3.367 4.320 6.542 1.00 43.14 O ATOM 1194 CB LEU A 72 4.289 1.059 6.899 1.00 41.44 C ATOM 1195 CG LEU A 72 5.061 0.368 8.042 1.00 31.12 C ATOM 1196 CD1 LEU A 72 5.843 1.395 8.859 1.00 74.53 C ATOM 1197 CD2 LEU A 72 4.122 -0.438 8.939 1.00 33.00 C ATOM 0 H LEU A 72 1.955 0.347 7.341 1.00 64.13 H new ATOM 0 HA LEU A 72 3.481 2.523 8.268 1.00 1.45 H new ATOM 0 HB2 LEU A 72 3.833 0.289 6.277 1.00 41.44 H new ATOM 0 HB3 LEU A 72 5.005 1.591 6.273 1.00 41.44 H new ATOM 0 HG LEU A 72 5.770 -0.329 7.594 1.00 31.12 H new ATOM 0 HD11 LEU A 72 6.381 0.889 9.661 1.00 74.53 H new ATOM 0 HD12 LEU A 72 6.554 1.909 8.212 1.00 74.53 H new ATOM 0 HD13 LEU A 72 5.152 2.121 9.288 1.00 74.53 H new ATOM 0 HD21 LEU A 72 4.697 -0.912 9.734 1.00 33.00 H new ATOM 0 HD22 LEU A 72 3.377 0.227 9.377 1.00 33.00 H new ATOM 0 HD23 LEU A 72 3.621 -1.204 8.347 1.00 33.00 H new ATOM 1209 N VAL A 73 2.530 2.824 5.103 1.00 25.43 N ATOM 1210 CA VAL A 73 2.393 3.805 4.020 1.00 14.14 C ATOM 1211 C VAL A 73 1.512 5.003 4.425 1.00 53.32 C ATOM 1212 O VAL A 73 1.829 6.152 4.109 1.00 33.32 O ATOM 1213 CB VAL A 73 1.835 3.147 2.734 1.00 1.43 C ATOM 1214 CG1 VAL A 73 1.597 4.186 1.639 1.00 34.20 C ATOM 1215 CG2 VAL A 73 2.788 2.059 2.238 1.00 3.25 C ATOM 0 H VAL A 73 2.208 1.885 4.869 1.00 25.43 H new ATOM 0 HA VAL A 73 3.395 4.183 3.817 1.00 14.14 H new ATOM 0 HB VAL A 73 0.875 2.691 2.978 1.00 1.43 H new ATOM 0 HG11 VAL A 73 1.205 3.693 0.749 1.00 34.20 H new ATOM 0 HG12 VAL A 73 0.878 4.926 1.990 1.00 34.20 H new ATOM 0 HG13 VAL A 73 2.538 4.680 1.396 1.00 34.20 H new ATOM 0 HG21 VAL A 73 2.383 1.605 1.334 1.00 3.25 H new ATOM 0 HG22 VAL A 73 3.761 2.500 2.019 1.00 3.25 H new ATOM 0 HG23 VAL A 73 2.901 1.296 3.008 1.00 3.25 H new ATOM 1225 N THR A 74 0.422 4.745 5.148 1.00 11.20 N ATOM 1226 CA THR A 74 -0.490 5.823 5.567 1.00 43.25 C ATOM 1227 C THR A 74 0.139 6.723 6.642 1.00 23.33 C ATOM 1228 O THR A 74 0.022 7.948 6.574 1.00 54.31 O ATOM 1229 CB THR A 74 -1.840 5.283 6.095 1.00 74.32 C ATOM 1230 OG1 THR A 74 -1.626 4.399 7.204 1.00 12.33 O ATOM 1231 CG2 THR A 74 -2.607 4.553 4.997 1.00 44.22 C ATOM 0 H THR A 74 0.146 3.812 5.455 1.00 11.20 H new ATOM 0 HA THR A 74 -0.675 6.411 4.668 1.00 43.25 H new ATOM 0 HB THR A 74 -2.434 6.136 6.424 1.00 74.32 H new ATOM 0 HG1 THR A 74 -1.345 3.521 6.873 1.00 12.33 H new ATOM 0 HG21 THR A 74 -3.552 4.184 5.397 1.00 44.22 H new ATOM 0 HG22 THR A 74 -2.805 5.239 4.173 1.00 44.22 H new ATOM 0 HG23 THR A 74 -2.014 3.713 4.635 1.00 44.22 H new ATOM 1239 N GLU A 75 0.813 6.128 7.631 1.00 51.14 N ATOM 1240 CA GLU A 75 1.479 6.917 8.679 1.00 12.12 C ATOM 1241 C GLU A 75 2.619 7.771 8.096 1.00 45.30 C ATOM 1242 O GLU A 75 2.997 8.793 8.668 1.00 5.04 O ATOM 1243 CB GLU A 75 2.014 6.019 9.811 1.00 53.11 C ATOM 1244 CG GLU A 75 3.151 5.094 9.396 1.00 21.23 C ATOM 1245 CD GLU A 75 3.677 4.255 10.551 1.00 62.24 C ATOM 1246 OE1 GLU A 75 3.037 3.242 10.897 1.00 34.41 O ATOM 1247 OE2 GLU A 75 4.724 4.616 11.126 1.00 44.11 O ATOM 0 H GLU A 75 0.913 5.118 7.730 1.00 51.14 H new ATOM 0 HA GLU A 75 0.728 7.585 9.101 1.00 12.12 H new ATOM 0 HB2 GLU A 75 2.357 6.652 10.629 1.00 53.11 H new ATOM 0 HB3 GLU A 75 1.193 5.415 10.198 1.00 53.11 H new ATOM 0 HG2 GLU A 75 2.805 4.434 8.601 1.00 21.23 H new ATOM 0 HG3 GLU A 75 3.966 5.689 8.984 1.00 21.23 H new ATOM 1254 N LYS A 76 3.162 7.345 6.954 1.00 42.21 N ATOM 1255 CA LYS A 76 4.199 8.116 6.255 1.00 52.40 C ATOM 1256 C LYS A 76 3.591 9.204 5.346 1.00 44.43 C ATOM 1257 O LYS A 76 4.321 9.969 4.716 1.00 44.14 O ATOM 1258 CB LYS A 76 5.094 7.181 5.430 1.00 20.01 C ATOM 1259 CG LYS A 76 5.788 6.096 6.253 1.00 12.42 C ATOM 1260 CD LYS A 76 6.721 6.675 7.316 1.00 42.22 C ATOM 1261 CE LYS A 76 7.321 5.582 8.195 1.00 70.14 C ATOM 1262 NZ LYS A 76 8.263 6.133 9.206 1.00 11.42 N ATOM 0 H LYS A 76 2.904 6.473 6.492 1.00 42.21 H new ATOM 0 HA LYS A 76 4.801 8.616 7.014 1.00 52.40 H new ATOM 0 HB2 LYS A 76 4.490 6.705 4.657 1.00 20.01 H new ATOM 0 HB3 LYS A 76 5.852 7.776 4.921 1.00 20.01 H new ATOM 0 HG2 LYS A 76 5.035 5.473 6.736 1.00 12.42 H new ATOM 0 HG3 LYS A 76 6.358 5.448 5.587 1.00 12.42 H new ATOM 0 HD2 LYS A 76 7.522 7.234 6.832 1.00 42.22 H new ATOM 0 HD3 LYS A 76 6.171 7.381 7.938 1.00 42.22 H new ATOM 0 HE2 LYS A 76 6.520 5.044 8.702 1.00 70.14 H new ATOM 0 HE3 LYS A 76 7.844 4.859 7.568 1.00 70.14 H new ATOM 0 HZ1 LYS A 76 8.021 5.759 10.146 1.00 11.42 H new ATOM 0 HZ2 LYS A 76 9.235 5.855 8.962 1.00 11.42 H new ATOM 0 HZ3 LYS A 76 8.192 7.171 9.218 1.00 11.42 H new ATOM 1276 N GLY A 77 2.256 9.262 5.274 1.00 11.14 N ATOM 1277 CA GLY A 77 1.580 10.329 4.526 1.00 1.45 C ATOM 1278 C GLY A 77 0.797 9.857 3.299 1.00 44.14 C ATOM 1279 O GLY A 77 0.307 10.677 2.518 1.00 14.31 O ATOM 0 H GLY A 77 1.629 8.592 5.718 1.00 11.14 H new ATOM 0 HA2 GLY A 77 0.896 10.847 5.198 1.00 1.45 H new ATOM 0 HA3 GLY A 77 2.325 11.057 4.206 1.00 1.45 H new ATOM 1283 N GLY A 78 0.674 8.548 3.118 1.00 32.31 N ATOM 1284 CA GLY A 78 -0.075 8.014 1.982 1.00 71.43 C ATOM 1285 C GLY A 78 0.816 7.669 0.796 1.00 31.54 C ATOM 1286 O GLY A 78 1.951 8.136 0.714 1.00 61.35 O ATOM 0 H GLY A 78 1.077 7.842 3.734 1.00 32.31 H new ATOM 0 HA2 GLY A 78 -0.615 7.121 2.296 1.00 71.43 H new ATOM 0 HA3 GLY A 78 -0.821 8.744 1.669 1.00 71.43 H new ATOM 1290 N LEU A 79 0.287 6.875 -0.135 1.00 75.33 N ATOM 1291 CA LEU A 79 1.071 6.342 -1.263 1.00 24.31 C ATOM 1292 C LEU A 79 1.928 7.415 -1.958 1.00 53.12 C ATOM 1293 O LEU A 79 3.153 7.295 -2.025 1.00 65.45 O ATOM 1294 CB LEU A 79 0.138 5.675 -2.288 1.00 32.45 C ATOM 1295 CG LEU A 79 0.831 5.084 -3.536 1.00 40.20 C ATOM 1296 CD1 LEU A 79 1.877 4.043 -3.143 1.00 61.35 C ATOM 1297 CD2 LEU A 79 -0.197 4.474 -4.489 1.00 53.11 C ATOM 0 H LEU A 79 -0.690 6.581 -0.134 1.00 75.33 H new ATOM 0 HA LEU A 79 1.757 5.604 -0.847 1.00 24.31 H new ATOM 0 HB2 LEU A 79 -0.411 4.877 -1.788 1.00 32.45 H new ATOM 0 HB3 LEU A 79 -0.597 6.410 -2.616 1.00 32.45 H new ATOM 0 HG LEU A 79 1.340 5.899 -4.051 1.00 40.20 H new ATOM 0 HD11 LEU A 79 2.349 3.644 -4.041 1.00 61.35 H new ATOM 0 HD12 LEU A 79 2.634 4.508 -2.512 1.00 61.35 H new ATOM 0 HD13 LEU A 79 1.396 3.233 -2.595 1.00 61.35 H new ATOM 0 HD21 LEU A 79 0.313 4.064 -5.361 1.00 53.11 H new ATOM 0 HD22 LEU A 79 -0.739 3.678 -3.978 1.00 53.11 H new ATOM 0 HD23 LEU A 79 -0.899 5.244 -4.809 1.00 53.11 H new ATOM 1309 N VAL A 80 1.287 8.461 -2.464 1.00 72.32 N ATOM 1310 CA VAL A 80 1.988 9.492 -3.237 1.00 1.10 C ATOM 1311 C VAL A 80 3.051 10.234 -2.408 1.00 44.15 C ATOM 1312 O VAL A 80 4.165 10.460 -2.884 1.00 52.14 O ATOM 1313 CB VAL A 80 0.992 10.504 -3.844 1.00 14.34 C ATOM 1314 CG1 VAL A 80 1.714 11.678 -4.498 1.00 61.50 C ATOM 1315 CG2 VAL A 80 0.086 9.807 -4.851 1.00 44.33 C ATOM 0 H VAL A 80 0.286 8.622 -2.356 1.00 72.32 H new ATOM 0 HA VAL A 80 2.506 8.971 -4.043 1.00 1.10 H new ATOM 0 HB VAL A 80 0.383 10.904 -3.033 1.00 14.34 H new ATOM 0 HG11 VAL A 80 0.981 12.369 -4.914 1.00 61.50 H new ATOM 0 HG12 VAL A 80 2.318 12.195 -3.752 1.00 61.50 H new ATOM 0 HG13 VAL A 80 2.359 11.310 -5.296 1.00 61.50 H new ATOM 0 HG21 VAL A 80 -0.613 10.530 -5.273 1.00 44.33 H new ATOM 0 HG22 VAL A 80 0.692 9.378 -5.650 1.00 44.33 H new ATOM 0 HG23 VAL A 80 -0.470 9.014 -4.352 1.00 44.33 H new ATOM 1325 N GLU A 81 2.715 10.609 -1.176 1.00 34.34 N ATOM 1326 CA GLU A 81 3.680 11.290 -0.305 1.00 63.41 C ATOM 1327 C GLU A 81 4.891 10.392 -0.013 1.00 22.41 C ATOM 1328 O GLU A 81 6.029 10.861 0.008 1.00 73.11 O ATOM 1329 CB GLU A 81 3.012 11.741 1.002 1.00 22.43 C ATOM 1330 CG GLU A 81 3.919 12.577 1.906 1.00 42.32 C ATOM 1331 CD GLU A 81 3.148 13.384 2.944 1.00 23.21 C ATOM 1332 OE1 GLU A 81 2.439 14.337 2.546 1.00 32.41 O ATOM 1333 OE2 GLU A 81 3.266 13.096 4.154 1.00 51.44 O ATOM 0 H GLU A 81 1.796 10.457 -0.759 1.00 34.34 H new ATOM 0 HA GLU A 81 4.037 12.176 -0.830 1.00 63.41 H new ATOM 0 HB2 GLU A 81 2.121 12.321 0.762 1.00 22.43 H new ATOM 0 HB3 GLU A 81 2.680 10.860 1.552 1.00 22.43 H new ATOM 0 HG2 GLU A 81 4.622 11.918 2.416 1.00 42.32 H new ATOM 0 HG3 GLU A 81 4.509 13.257 1.291 1.00 42.32 H new ATOM 1340 N VAL A 82 4.643 9.098 0.191 1.00 4.42 N ATOM 1341 CA VAL A 82 5.724 8.119 0.377 1.00 61.45 C ATOM 1342 C VAL A 82 6.629 8.057 -0.866 1.00 43.05 C ATOM 1343 O VAL A 82 7.860 8.027 -0.753 1.00 5.25 O ATOM 1344 CB VAL A 82 5.163 6.704 0.681 1.00 64.40 C ATOM 1345 CG1 VAL A 82 6.285 5.671 0.791 1.00 4.04 C ATOM 1346 CG2 VAL A 82 4.325 6.723 1.957 1.00 12.21 C ATOM 0 H VAL A 82 3.705 8.700 0.232 1.00 4.42 H new ATOM 0 HA VAL A 82 6.313 8.450 1.232 1.00 61.45 H new ATOM 0 HB VAL A 82 4.523 6.413 -0.152 1.00 64.40 H new ATOM 0 HG11 VAL A 82 5.858 4.691 1.004 1.00 4.04 H new ATOM 0 HG12 VAL A 82 6.835 5.630 -0.149 1.00 4.04 H new ATOM 0 HG13 VAL A 82 6.963 5.954 1.596 1.00 4.04 H new ATOM 0 HG21 VAL A 82 3.940 5.723 2.154 1.00 12.21 H new ATOM 0 HG22 VAL A 82 4.944 7.045 2.794 1.00 12.21 H new ATOM 0 HG23 VAL A 82 3.492 7.415 1.835 1.00 12.21 H new ATOM 1356 N ILE A 83 6.007 8.047 -2.047 1.00 1.33 N ATOM 1357 CA ILE A 83 6.739 8.062 -3.321 1.00 72.45 C ATOM 1358 C ILE A 83 7.626 9.315 -3.435 1.00 12.11 C ATOM 1359 O ILE A 83 8.816 9.225 -3.734 1.00 12.43 O ATOM 1360 CB ILE A 83 5.760 8.011 -4.528 1.00 5.13 C ATOM 1361 CG1 ILE A 83 4.920 6.720 -4.492 1.00 42.35 C ATOM 1362 CG2 ILE A 83 6.517 8.121 -5.851 1.00 42.02 C ATOM 1363 CD1 ILE A 83 3.874 6.636 -5.588 1.00 2.12 C ATOM 0 H ILE A 83 4.992 8.028 -2.150 1.00 1.33 H new ATOM 0 HA ILE A 83 7.373 7.176 -3.340 1.00 72.45 H new ATOM 0 HB ILE A 83 5.086 8.864 -4.451 1.00 5.13 H new ATOM 0 HG12 ILE A 83 5.587 5.862 -4.573 1.00 42.35 H new ATOM 0 HG13 ILE A 83 4.424 6.648 -3.524 1.00 42.35 H new ATOM 0 HG21 ILE A 83 5.809 8.083 -6.679 1.00 42.02 H new ATOM 0 HG22 ILE A 83 7.061 9.065 -5.882 1.00 42.02 H new ATOM 0 HG23 ILE A 83 7.221 7.294 -5.937 1.00 42.02 H new ATOM 0 HD11 ILE A 83 3.324 5.699 -5.495 1.00 2.12 H new ATOM 0 HD12 ILE A 83 3.182 7.473 -5.496 1.00 2.12 H new ATOM 0 HD13 ILE A 83 4.363 6.675 -6.561 1.00 2.12 H new ATOM 1375 N ASN A 84 7.037 10.479 -3.172 1.00 11.05 N ATOM 1376 CA ASN A 84 7.768 11.753 -3.229 1.00 44.12 C ATOM 1377 C ASN A 84 8.880 11.828 -2.166 1.00 44.21 C ATOM 1378 O ASN A 84 9.955 12.380 -2.411 1.00 44.32 O ATOM 1379 CB ASN A 84 6.794 12.920 -3.050 1.00 5.31 C ATOM 1380 CG ASN A 84 5.823 13.041 -4.209 1.00 30.41 C ATOM 1381 OD1 ASN A 84 6.165 12.752 -5.351 1.00 64.55 O ATOM 1382 ND2 ASN A 84 4.603 13.461 -3.931 1.00 23.12 N ATOM 0 H ASN A 84 6.054 10.572 -2.916 1.00 11.05 H new ATOM 0 HA ASN A 84 8.244 11.817 -4.207 1.00 44.12 H new ATOM 0 HB2 ASN A 84 6.236 12.786 -2.123 1.00 5.31 H new ATOM 0 HB3 ASN A 84 7.357 13.848 -2.952 1.00 5.31 H new ATOM 0 HD21 ASN A 84 3.913 13.553 -4.677 1.00 23.12 H new ATOM 0 HD22 ASN A 84 4.350 13.693 -2.971 1.00 23.12 H new ATOM 1389 N LYS A 85 8.610 11.277 -0.984 1.00 41.20 N ATOM 1390 CA LYS A 85 9.591 11.265 0.111 1.00 54.11 C ATOM 1391 C LYS A 85 10.706 10.232 -0.124 1.00 41.40 C ATOM 1392 O LYS A 85 11.748 10.283 0.528 1.00 24.53 O ATOM 1393 CB LYS A 85 8.890 10.975 1.451 1.00 14.14 C ATOM 1394 CG LYS A 85 8.021 12.116 1.994 1.00 24.31 C ATOM 1395 CD LYS A 85 8.812 13.128 2.838 1.00 44.45 C ATOM 1396 CE LYS A 85 9.835 13.906 2.018 1.00 53.44 C ATOM 1397 NZ LYS A 85 10.541 14.938 2.822 1.00 35.21 N ATOM 0 H LYS A 85 7.721 10.832 -0.755 1.00 41.20 H new ATOM 0 HA LYS A 85 10.052 12.252 0.143 1.00 54.11 H new ATOM 0 HB2 LYS A 85 8.266 10.089 1.332 1.00 14.14 H new ATOM 0 HB3 LYS A 85 9.649 10.732 2.195 1.00 14.14 H new ATOM 0 HG2 LYS A 85 7.552 12.636 1.159 1.00 24.31 H new ATOM 0 HG3 LYS A 85 7.218 11.696 2.600 1.00 24.31 H new ATOM 0 HD2 LYS A 85 8.118 13.828 3.304 1.00 44.45 H new ATOM 0 HD3 LYS A 85 9.323 12.602 3.644 1.00 44.45 H new ATOM 0 HE2 LYS A 85 10.565 13.212 1.601 1.00 53.44 H new ATOM 0 HE3 LYS A 85 9.334 14.385 1.177 1.00 53.44 H new ATOM 0 HZ1 LYS A 85 11.225 15.439 2.220 1.00 35.21 H new ATOM 0 HZ2 LYS A 85 9.850 15.617 3.199 1.00 35.21 H new ATOM 0 HZ3 LYS A 85 11.043 14.481 3.610 1.00 35.21 H new ATOM 1411 N LYS A 86 10.476 9.293 -1.047 1.00 14.02 N ATOM 1412 CA LYS A 86 11.471 8.262 -1.399 1.00 24.24 C ATOM 1413 C LYS A 86 11.857 7.386 -0.186 1.00 23.02 C ATOM 1414 O LYS A 86 12.860 6.670 -0.219 1.00 0.42 O ATOM 1415 CB LYS A 86 12.739 8.918 -1.985 1.00 33.33 C ATOM 1416 CG LYS A 86 12.477 9.864 -3.156 1.00 61.33 C ATOM 1417 CD LYS A 86 11.899 9.138 -4.367 1.00 62.43 C ATOM 1418 CE LYS A 86 11.586 10.106 -5.502 1.00 4.35 C ATOM 1419 NZ LYS A 86 12.800 10.820 -5.979 1.00 51.34 N ATOM 0 H LYS A 86 9.604 9.222 -1.570 1.00 14.02 H new ATOM 0 HA LYS A 86 11.010 7.616 -2.146 1.00 24.24 H new ATOM 0 HB2 LYS A 86 13.246 9.470 -1.194 1.00 33.33 H new ATOM 0 HB3 LYS A 86 13.421 8.133 -2.313 1.00 33.33 H new ATOM 0 HG2 LYS A 86 11.787 10.647 -2.841 1.00 61.33 H new ATOM 0 HG3 LYS A 86 13.408 10.355 -3.439 1.00 61.33 H new ATOM 0 HD2 LYS A 86 12.608 8.386 -4.714 1.00 62.43 H new ATOM 0 HD3 LYS A 86 10.991 8.610 -4.077 1.00 62.43 H new ATOM 0 HE2 LYS A 86 11.138 9.559 -6.332 1.00 4.35 H new ATOM 0 HE3 LYS A 86 10.847 10.833 -5.164 1.00 4.35 H new ATOM 0 HZ1 LYS A 86 12.578 11.336 -6.854 1.00 51.34 H new ATOM 0 HZ2 LYS A 86 13.116 11.492 -5.251 1.00 51.34 H new ATOM 0 HZ3 LYS A 86 13.557 10.131 -6.166 1.00 51.34 H new ATOM 1433 N LEU A 87 11.041 7.415 0.867 1.00 42.10 N ATOM 1434 CA LEU A 87 11.396 6.758 2.135 1.00 43.34 C ATOM 1435 C LEU A 87 10.843 5.318 2.216 1.00 55.21 C ATOM 1436 O LEU A 87 10.656 4.775 3.304 1.00 60.32 O ATOM 1437 CB LEU A 87 10.910 7.613 3.330 1.00 15.41 C ATOM 1438 CG LEU A 87 9.459 7.393 3.808 1.00 25.32 C ATOM 1439 CD1 LEU A 87 9.154 8.274 5.014 1.00 43.14 C ATOM 1440 CD2 LEU A 87 8.460 7.654 2.691 1.00 22.22 C ATOM 0 H LEU A 87 10.134 7.882 0.873 1.00 42.10 H new ATOM 0 HA LEU A 87 12.482 6.679 2.179 1.00 43.34 H new ATOM 0 HB2 LEU A 87 11.576 7.426 4.173 1.00 15.41 H new ATOM 0 HB3 LEU A 87 11.022 8.664 3.062 1.00 15.41 H new ATOM 0 HG LEU A 87 9.362 6.349 4.104 1.00 25.32 H new ATOM 0 HD11 LEU A 87 8.127 8.106 5.337 1.00 43.14 H new ATOM 0 HD12 LEU A 87 9.836 8.026 5.828 1.00 43.14 H new ATOM 0 HD13 LEU A 87 9.281 9.322 4.741 1.00 43.14 H new ATOM 0 HD21 LEU A 87 7.448 7.490 3.062 1.00 22.22 H new ATOM 0 HD22 LEU A 87 8.558 8.684 2.348 1.00 22.22 H new ATOM 0 HD23 LEU A 87 8.657 6.975 1.861 1.00 22.22 H new ATOM 1452 N TRP A 88 10.624 4.690 1.058 1.00 62.20 N ATOM 1453 CA TRP A 88 10.117 3.304 1.000 1.00 61.52 C ATOM 1454 C TRP A 88 10.959 2.324 1.841 1.00 2.20 C ATOM 1455 O TRP A 88 10.478 1.261 2.233 1.00 11.04 O ATOM 1456 CB TRP A 88 10.054 2.813 -0.454 1.00 40.20 C ATOM 1457 CG TRP A 88 8.906 3.378 -1.238 1.00 64.20 C ATOM 1458 CD1 TRP A 88 8.948 4.387 -2.159 1.00 1.43 C ATOM 1459 CD2 TRP A 88 7.538 2.957 -1.169 1.00 74.13 C ATOM 1460 NE1 TRP A 88 7.692 4.620 -2.662 1.00 4.15 N ATOM 1461 CE2 TRP A 88 6.809 3.752 -2.072 1.00 44.45 C ATOM 1462 CE3 TRP A 88 6.859 1.979 -0.431 1.00 74.34 C ATOM 1463 CZ2 TRP A 88 5.436 3.605 -2.250 1.00 14.13 C ATOM 1464 CZ3 TRP A 88 5.496 1.834 -0.614 1.00 53.22 C ATOM 1465 CH2 TRP A 88 4.798 2.640 -1.520 1.00 4.51 C ATOM 0 H TRP A 88 10.788 5.114 0.145 1.00 62.20 H new ATOM 0 HA TRP A 88 9.115 3.324 1.428 1.00 61.52 H new ATOM 0 HB2 TRP A 88 10.986 3.073 -0.955 1.00 40.20 H new ATOM 0 HB3 TRP A 88 9.983 1.725 -0.457 1.00 40.20 H new ATOM 0 HD1 TRP A 88 9.840 4.923 -2.449 1.00 1.43 H new ATOM 0 HE1 TRP A 88 7.454 5.324 -3.361 1.00 4.15 H new ATOM 0 HE3 TRP A 88 7.390 1.350 0.268 1.00 74.34 H new ATOM 0 HZ2 TRP A 88 4.893 4.232 -2.941 1.00 14.13 H new ATOM 0 HZ3 TRP A 88 4.961 1.086 -0.048 1.00 53.22 H new ATOM 0 HH2 TRP A 88 3.735 2.497 -1.645 1.00 4.51 H new ATOM 1476 N ARG A 89 12.211 2.685 2.120 1.00 71.00 N ATOM 1477 CA ARG A 89 13.088 1.844 2.945 1.00 30.05 C ATOM 1478 C ARG A 89 12.575 1.771 4.399 1.00 40.20 C ATOM 1479 O ARG A 89 12.824 0.800 5.113 1.00 3.11 O ATOM 1480 CB ARG A 89 14.534 2.365 2.895 1.00 33.01 C ATOM 1481 CG ARG A 89 15.006 2.721 1.484 1.00 71.14 C ATOM 1482 CD ARG A 89 16.525 2.845 1.393 1.00 75.23 C ATOM 1483 NE ARG A 89 17.180 1.536 1.400 1.00 32.40 N ATOM 1484 CZ ARG A 89 18.467 1.351 1.272 1.00 41.40 C ATOM 1485 NH1 ARG A 89 19.279 2.357 1.215 1.00 4.33 N ATOM 1486 NH2 ARG A 89 18.938 0.148 1.225 1.00 14.13 N ATOM 0 H ARG A 89 12.642 3.549 1.791 1.00 71.00 H new ATOM 0 HA ARG A 89 13.075 0.833 2.538 1.00 30.05 H new ATOM 0 HB2 ARG A 89 14.616 3.247 3.530 1.00 33.01 H new ATOM 0 HB3 ARG A 89 15.199 1.609 3.312 1.00 33.01 H new ATOM 0 HG2 ARG A 89 14.664 1.957 0.786 1.00 71.14 H new ATOM 0 HG3 ARG A 89 14.548 3.661 1.177 1.00 71.14 H new ATOM 0 HD2 ARG A 89 16.792 3.380 0.481 1.00 75.23 H new ATOM 0 HD3 ARG A 89 16.892 3.439 2.230 1.00 75.23 H new ATOM 0 HE ARG A 89 16.591 0.711 1.513 1.00 32.40 H new ATOM 0 HH11 ARG A 89 18.916 3.309 1.270 1.00 4.33 H new ATOM 0 HH12 ARG A 89 20.282 2.198 1.115 1.00 4.33 H new ATOM 0 HH21 ARG A 89 18.306 -0.650 1.288 1.00 14.13 H new ATOM 0 HH22 ARG A 89 19.942 -0.003 1.125 1.00 14.13 H new ATOM 1500 N GLU A 90 11.848 2.809 4.820 1.00 31.30 N ATOM 1501 CA GLU A 90 11.123 2.796 6.101 1.00 31.12 C ATOM 1502 C GLU A 90 10.059 1.691 6.105 1.00 63.02 C ATOM 1503 O GLU A 90 9.837 1.021 7.115 1.00 21.41 O ATOM 1504 CB GLU A 90 10.441 4.156 6.337 1.00 4.05 C ATOM 1505 CG GLU A 90 11.390 5.295 6.704 1.00 53.33 C ATOM 1506 CD GLU A 90 11.738 5.318 8.186 1.00 75.44 C ATOM 1507 OE1 GLU A 90 10.959 5.904 8.969 1.00 40.34 O ATOM 1508 OE2 GLU A 90 12.780 4.752 8.575 1.00 35.31 O ATOM 0 H GLU A 90 11.743 3.675 4.292 1.00 31.30 H new ATOM 0 HA GLU A 90 11.842 2.604 6.898 1.00 31.12 H new ATOM 0 HB2 GLU A 90 9.895 4.434 5.436 1.00 4.05 H new ATOM 0 HB3 GLU A 90 9.706 4.044 7.134 1.00 4.05 H new ATOM 0 HG2 GLU A 90 12.306 5.200 6.122 1.00 53.33 H new ATOM 0 HG3 GLU A 90 10.934 6.246 6.428 1.00 53.33 H new ATOM 1515 N ILE A 91 9.411 1.506 4.956 1.00 4.42 N ATOM 1516 CA ILE A 91 8.341 0.515 4.818 1.00 61.55 C ATOM 1517 C ILE A 91 8.895 -0.914 4.934 1.00 64.02 C ATOM 1518 O ILE A 91 8.430 -1.700 5.761 1.00 44.00 O ATOM 1519 CB ILE A 91 7.605 0.670 3.463 1.00 44.43 C ATOM 1520 CG1 ILE A 91 7.193 2.137 3.227 1.00 52.41 C ATOM 1521 CG2 ILE A 91 6.383 -0.246 3.408 1.00 34.35 C ATOM 1522 CD1 ILE A 91 6.242 2.693 4.267 1.00 34.01 C ATOM 0 H ILE A 91 9.608 2.030 4.104 1.00 4.42 H new ATOM 0 HA ILE A 91 7.633 0.691 5.628 1.00 61.55 H new ATOM 0 HB ILE A 91 8.291 0.378 2.668 1.00 44.43 H new ATOM 0 HG12 ILE A 91 8.091 2.755 3.205 1.00 52.41 H new ATOM 0 HG13 ILE A 91 6.727 2.218 2.245 1.00 52.41 H new ATOM 0 HG21 ILE A 91 5.879 -0.123 2.449 1.00 34.35 H new ATOM 0 HG22 ILE A 91 6.700 -1.283 3.521 1.00 34.35 H new ATOM 0 HG23 ILE A 91 5.697 0.014 4.214 1.00 34.35 H new ATOM 0 HD11 ILE A 91 6.004 3.729 4.025 1.00 34.01 H new ATOM 0 HD12 ILE A 91 5.326 2.102 4.275 1.00 34.01 H new ATOM 0 HD13 ILE A 91 6.711 2.648 5.250 1.00 34.01 H new ATOM 1534 N THR A 92 9.900 -1.240 4.117 1.00 1.24 N ATOM 1535 CA THR A 92 10.553 -2.561 4.177 1.00 44.21 C ATOM 1536 C THR A 92 11.077 -2.848 5.584 1.00 73.33 C ATOM 1537 O THR A 92 10.804 -3.901 6.163 1.00 33.35 O ATOM 1538 CB THR A 92 11.741 -2.674 3.186 1.00 32.21 C ATOM 1539 OG1 THR A 92 12.644 -1.572 3.369 1.00 53.43 O ATOM 1540 CG2 THR A 92 11.258 -2.713 1.741 1.00 22.22 C ATOM 0 H THR A 92 10.282 -0.614 3.408 1.00 1.24 H new ATOM 0 HA THR A 92 9.790 -3.289 3.901 1.00 44.21 H new ATOM 0 HB THR A 92 12.262 -3.608 3.395 1.00 32.21 H new ATOM 0 HG1 THR A 92 13.197 -1.466 2.567 1.00 53.43 H new ATOM 0 HG21 THR A 92 12.115 -2.792 1.073 1.00 22.22 H new ATOM 0 HG22 THR A 92 10.606 -3.575 1.598 1.00 22.22 H new ATOM 0 HG23 THR A 92 10.707 -1.800 1.517 1.00 22.22 H new ATOM 1548 N LYS A 93 11.825 -1.896 6.129 1.00 64.15 N ATOM 1549 CA LYS A 93 12.388 -2.025 7.473 1.00 20.21 C ATOM 1550 C LYS A 93 11.280 -2.188 8.528 1.00 30.31 C ATOM 1551 O LYS A 93 11.444 -2.915 9.512 1.00 73.33 O ATOM 1552 CB LYS A 93 13.250 -0.798 7.795 1.00 14.45 C ATOM 1553 CG LYS A 93 14.082 -0.939 9.065 1.00 54.31 C ATOM 1554 CD LYS A 93 15.173 -1.995 8.915 1.00 52.44 C ATOM 1555 CE LYS A 93 15.972 -2.169 10.201 1.00 54.33 C ATOM 1556 NZ LYS A 93 16.566 -0.888 10.663 1.00 34.12 N ATOM 0 H LYS A 93 12.058 -1.021 5.660 1.00 64.15 H new ATOM 0 HA LYS A 93 13.009 -2.920 7.499 1.00 20.21 H new ATOM 0 HB2 LYS A 93 13.918 -0.606 6.955 1.00 14.45 H new ATOM 0 HB3 LYS A 93 12.602 0.073 7.893 1.00 14.45 H new ATOM 0 HG2 LYS A 93 14.537 0.021 9.310 1.00 54.31 H new ATOM 0 HG3 LYS A 93 13.431 -1.205 9.898 1.00 54.31 H new ATOM 0 HD2 LYS A 93 14.722 -2.947 8.636 1.00 52.44 H new ATOM 0 HD3 LYS A 93 15.845 -1.711 8.105 1.00 52.44 H new ATOM 0 HE2 LYS A 93 15.323 -2.570 10.980 1.00 54.33 H new ATOM 0 HE3 LYS A 93 16.765 -2.899 10.040 1.00 54.33 H new ATOM 0 HZ1 LYS A 93 17.260 -1.078 11.414 1.00 34.12 H new ATOM 0 HZ2 LYS A 93 17.039 -0.417 9.865 1.00 34.12 H new ATOM 0 HZ3 LYS A 93 15.815 -0.271 11.034 1.00 34.12 H new ATOM 1570 N GLY A 94 10.153 -1.511 8.313 1.00 14.32 N ATOM 1571 CA GLY A 94 9.016 -1.633 9.218 1.00 62.55 C ATOM 1572 C GLY A 94 8.388 -3.022 9.199 1.00 44.11 C ATOM 1573 O GLY A 94 7.878 -3.495 10.216 1.00 72.35 O ATOM 0 H GLY A 94 10.005 -0.878 7.527 1.00 14.32 H new ATOM 0 HA2 GLY A 94 9.339 -1.400 10.233 1.00 62.55 H new ATOM 0 HA3 GLY A 94 8.261 -0.895 8.946 1.00 62.55 H new ATOM 1577 N LEU A 95 8.436 -3.682 8.042 1.00 43.35 N ATOM 1578 CA LEU A 95 7.850 -5.017 7.877 1.00 43.13 C ATOM 1579 C LEU A 95 8.881 -6.128 8.163 1.00 2.34 C ATOM 1580 O LEU A 95 8.655 -7.292 7.834 1.00 5.33 O ATOM 1581 CB LEU A 95 7.305 -5.165 6.447 1.00 4.44 C ATOM 1582 CG LEU A 95 6.371 -4.036 5.974 1.00 32.51 C ATOM 1583 CD1 LEU A 95 5.943 -4.257 4.527 1.00 62.52 C ATOM 1584 CD2 LEU A 95 5.153 -3.917 6.883 1.00 74.24 C ATOM 0 H LEU A 95 8.877 -3.313 7.199 1.00 43.35 H new ATOM 0 HA LEU A 95 7.038 -5.123 8.597 1.00 43.13 H new ATOM 0 HB2 LEU A 95 8.149 -5.227 5.760 1.00 4.44 H new ATOM 0 HB3 LEU A 95 6.767 -6.111 6.378 1.00 4.44 H new ATOM 0 HG LEU A 95 6.925 -3.099 6.027 1.00 32.51 H new ATOM 0 HD11 LEU A 95 5.284 -3.447 4.215 1.00 62.52 H new ATOM 0 HD12 LEU A 95 6.824 -4.275 3.886 1.00 62.52 H new ATOM 0 HD13 LEU A 95 5.415 -5.207 4.445 1.00 62.52 H new ATOM 0 HD21 LEU A 95 4.510 -3.112 6.526 1.00 74.24 H new ATOM 0 HD22 LEU A 95 4.599 -4.856 6.873 1.00 74.24 H new ATOM 0 HD23 LEU A 95 5.478 -3.698 7.900 1.00 74.24 H new ATOM 1596 N ASN A 96 10.013 -5.749 8.774 1.00 13.24 N ATOM 1597 CA ASN A 96 11.103 -6.689 9.098 1.00 21.32 C ATOM 1598 C ASN A 96 11.792 -7.216 7.817 1.00 34.23 C ATOM 1599 O ASN A 96 12.553 -8.185 7.847 1.00 33.15 O ATOM 1600 CB ASN A 96 10.571 -7.851 9.965 1.00 62.53 C ATOM 1601 CG ASN A 96 11.677 -8.706 10.566 1.00 23.04 C ATOM 1602 OD1 ASN A 96 12.097 -9.706 9.989 1.00 11.02 O ATOM 1603 ND2 ASN A 96 12.153 -8.324 11.732 1.00 64.51 N ATOM 0 H ASN A 96 10.201 -4.787 9.058 1.00 13.24 H new ATOM 0 HA ASN A 96 11.857 -6.150 9.672 1.00 21.32 H new ATOM 0 HB2 ASN A 96 9.957 -7.444 10.769 1.00 62.53 H new ATOM 0 HB3 ASN A 96 9.923 -8.482 9.357 1.00 62.53 H new ATOM 0 HD21 ASN A 96 12.892 -8.863 12.183 1.00 64.51 H new ATOM 0 HD22 ASN A 96 11.783 -7.489 12.185 1.00 64.51 H new ATOM 1610 N LEU A 97 11.546 -6.542 6.697 1.00 24.03 N ATOM 1611 CA LEU A 97 12.133 -6.928 5.410 1.00 62.32 C ATOM 1612 C LEU A 97 13.510 -6.274 5.214 1.00 41.14 C ATOM 1613 O LEU A 97 13.757 -5.174 5.716 1.00 41.02 O ATOM 1614 CB LEU A 97 11.201 -6.516 4.257 1.00 74.34 C ATOM 1615 CG LEU A 97 9.737 -6.962 4.400 1.00 73.43 C ATOM 1616 CD1 LEU A 97 8.909 -6.492 3.207 1.00 13.31 C ATOM 1617 CD2 LEU A 97 9.637 -8.476 4.566 1.00 15.22 C ATOM 0 H LEU A 97 10.942 -5.722 6.651 1.00 24.03 H new ATOM 0 HA LEU A 97 12.258 -8.011 5.409 1.00 62.32 H new ATOM 0 HB2 LEU A 97 11.225 -5.430 4.164 1.00 74.34 H new ATOM 0 HB3 LEU A 97 11.598 -6.924 3.328 1.00 74.34 H new ATOM 0 HG LEU A 97 9.332 -6.499 5.300 1.00 73.43 H new ATOM 0 HD11 LEU A 97 7.876 -6.819 3.329 1.00 13.31 H new ATOM 0 HD12 LEU A 97 8.941 -5.404 3.148 1.00 13.31 H new ATOM 0 HD13 LEU A 97 9.318 -6.917 2.290 1.00 13.31 H new ATOM 0 HD21 LEU A 97 8.590 -8.763 4.665 1.00 15.22 H new ATOM 0 HD22 LEU A 97 10.067 -8.967 3.693 1.00 15.22 H new ATOM 0 HD23 LEU A 97 10.183 -8.781 5.459 1.00 15.22 H new ATOM 1629 N PRO A 98 14.429 -6.940 4.489 1.00 23.31 N ATOM 1630 CA PRO A 98 15.746 -6.368 4.176 1.00 61.01 C ATOM 1631 C PRO A 98 15.643 -5.161 3.228 1.00 14.11 C ATOM 1632 O PRO A 98 15.055 -5.245 2.151 1.00 60.31 O ATOM 1633 CB PRO A 98 16.496 -7.527 3.504 1.00 25.31 C ATOM 1634 CG PRO A 98 15.426 -8.425 2.977 1.00 41.40 C ATOM 1635 CD PRO A 98 14.263 -8.292 3.924 1.00 65.13 C ATOM 0 HA PRO A 98 16.248 -5.988 5.066 1.00 61.01 H new ATOM 0 HB2 PRO A 98 17.140 -7.168 2.702 1.00 25.31 H new ATOM 0 HB3 PRO A 98 17.135 -8.050 4.216 1.00 25.31 H new ATOM 0 HG2 PRO A 98 15.139 -8.137 1.965 1.00 41.40 H new ATOM 0 HG3 PRO A 98 15.773 -9.457 2.929 1.00 41.40 H new ATOM 0 HD2 PRO A 98 13.310 -8.396 3.405 1.00 65.13 H new ATOM 0 HD3 PRO A 98 14.288 -9.057 4.700 1.00 65.13 H new ATOM 1643 N THR A 99 16.236 -4.041 3.627 1.00 60.33 N ATOM 1644 CA THR A 99 16.154 -2.795 2.847 1.00 22.33 C ATOM 1645 C THR A 99 17.044 -2.828 1.586 1.00 54.32 C ATOM 1646 O THR A 99 17.145 -1.840 0.859 1.00 22.43 O ATOM 1647 CB THR A 99 16.545 -1.573 3.717 1.00 52.43 C ATOM 1648 OG1 THR A 99 16.344 -0.355 2.991 1.00 11.32 O ATOM 1649 CG2 THR A 99 18.001 -1.660 4.168 1.00 52.12 C ATOM 0 H THR A 99 16.781 -3.963 4.486 1.00 60.33 H new ATOM 0 HA THR A 99 15.117 -2.702 2.525 1.00 22.33 H new ATOM 0 HB THR A 99 15.905 -1.579 4.599 1.00 52.43 H new ATOM 0 HG1 THR A 99 15.445 -0.351 2.601 1.00 11.32 H new ATOM 0 HG21 THR A 99 18.246 -0.789 4.776 1.00 52.12 H new ATOM 0 HG22 THR A 99 18.146 -2.566 4.756 1.00 52.12 H new ATOM 0 HG23 THR A 99 18.652 -1.687 3.294 1.00 52.12 H new ATOM 1657 N SER A 100 17.687 -3.969 1.324 1.00 51.10 N ATOM 1658 CA SER A 100 18.580 -4.111 0.157 1.00 13.15 C ATOM 1659 C SER A 100 17.926 -4.900 -0.997 1.00 32.04 C ATOM 1660 O SER A 100 18.578 -5.194 -2.001 1.00 13.43 O ATOM 1661 CB SER A 100 19.887 -4.802 0.575 1.00 22.15 C ATOM 1662 OG SER A 100 20.810 -4.876 -0.505 1.00 45.32 O ATOM 0 H SER A 100 17.610 -4.809 1.898 1.00 51.10 H new ATOM 0 HA SER A 100 18.787 -3.105 -0.209 1.00 13.15 H new ATOM 0 HB2 SER A 100 20.339 -4.256 1.403 1.00 22.15 H new ATOM 0 HB3 SER A 100 19.668 -5.807 0.937 1.00 22.15 H new ATOM 0 HG SER A 100 20.327 -5.073 -1.335 1.00 45.32 H new ATOM 1668 N ILE A 101 16.642 -5.236 -0.862 1.00 55.22 N ATOM 1669 CA ILE A 101 15.921 -5.982 -1.912 1.00 42.24 C ATOM 1670 C ILE A 101 15.970 -5.255 -3.270 1.00 31.50 C ATOM 1671 O ILE A 101 15.806 -4.035 -3.343 1.00 2.54 O ATOM 1672 CB ILE A 101 14.437 -6.222 -1.522 1.00 42.40 C ATOM 1673 CG1 ILE A 101 14.345 -7.066 -0.246 1.00 3.45 C ATOM 1674 CG2 ILE A 101 13.669 -6.893 -2.665 1.00 4.54 C ATOM 1675 CD1 ILE A 101 12.933 -7.224 0.281 1.00 33.13 C ATOM 0 H ILE A 101 16.077 -5.008 -0.044 1.00 55.22 H new ATOM 0 HA ILE A 101 16.429 -6.942 -2.007 1.00 42.24 H new ATOM 0 HB ILE A 101 13.979 -5.252 -1.330 1.00 42.40 H new ATOM 0 HG12 ILE A 101 14.762 -8.054 -0.444 1.00 3.45 H new ATOM 0 HG13 ILE A 101 14.962 -6.608 0.527 1.00 3.45 H new ATOM 0 HG21 ILE A 101 12.633 -7.049 -2.365 1.00 4.54 H new ATOM 0 HG22 ILE A 101 13.699 -6.254 -3.548 1.00 4.54 H new ATOM 0 HG23 ILE A 101 14.128 -7.854 -2.897 1.00 4.54 H new ATOM 0 HD11 ILE A 101 12.948 -7.833 1.185 1.00 33.13 H new ATOM 0 HD12 ILE A 101 12.519 -6.243 0.512 1.00 33.13 H new ATOM 0 HD13 ILE A 101 12.315 -7.710 -0.474 1.00 33.13 H new ATOM 1687 N THR A 102 16.198 -6.018 -4.340 1.00 71.12 N ATOM 1688 CA THR A 102 16.270 -5.466 -5.703 1.00 1.22 C ATOM 1689 C THR A 102 15.012 -4.655 -6.062 1.00 24.51 C ATOM 1690 O THR A 102 13.904 -5.198 -6.093 1.00 63.14 O ATOM 1691 CB THR A 102 16.455 -6.593 -6.750 1.00 51.04 C ATOM 1692 OG1 THR A 102 17.654 -7.334 -6.469 1.00 30.00 O ATOM 1693 CG2 THR A 102 16.524 -6.034 -8.170 1.00 13.44 C ATOM 0 H THR A 102 16.337 -7.027 -4.293 1.00 71.12 H new ATOM 0 HA THR A 102 17.133 -4.801 -5.722 1.00 1.22 H new ATOM 0 HB THR A 102 15.589 -7.251 -6.684 1.00 51.04 H new ATOM 0 HG1 THR A 102 17.762 -8.045 -7.134 1.00 30.00 H new ATOM 0 HG21 THR A 102 16.654 -6.853 -8.877 1.00 13.44 H new ATOM 0 HG22 THR A 102 15.600 -5.502 -8.397 1.00 13.44 H new ATOM 0 HG23 THR A 102 17.367 -5.348 -8.250 1.00 13.44 H new ATOM 1701 N SER A 103 15.201 -3.352 -6.313 1.00 74.20 N ATOM 1702 CA SER A 103 14.109 -2.436 -6.705 1.00 41.55 C ATOM 1703 C SER A 103 12.939 -2.468 -5.706 1.00 52.14 C ATOM 1704 O SER A 103 11.785 -2.249 -6.081 1.00 12.34 O ATOM 1705 CB SER A 103 13.599 -2.748 -8.127 1.00 54.10 C ATOM 1706 OG SER A 103 12.941 -4.007 -8.195 1.00 10.44 O ATOM 0 H SER A 103 16.113 -2.899 -6.251 1.00 74.20 H new ATOM 0 HA SER A 103 14.529 -1.430 -6.696 1.00 41.55 H new ATOM 0 HB2 SER A 103 12.913 -1.963 -8.446 1.00 54.10 H new ATOM 0 HB3 SER A 103 14.438 -2.740 -8.823 1.00 54.10 H new ATOM 0 HG SER A 103 12.890 -4.399 -7.298 1.00 10.44 H new ATOM 1712 N ALA A 104 13.258 -2.699 -4.429 1.00 3.43 N ATOM 1713 CA ALA A 104 12.251 -2.796 -3.361 1.00 24.23 C ATOM 1714 C ALA A 104 11.251 -1.629 -3.385 1.00 14.54 C ATOM 1715 O ALA A 104 10.036 -1.838 -3.358 1.00 54.04 O ATOM 1716 CB ALA A 104 12.944 -2.857 -2.004 1.00 60.23 C ATOM 0 H ALA A 104 14.217 -2.824 -4.104 1.00 3.43 H new ATOM 0 HA ALA A 104 11.683 -3.710 -3.534 1.00 24.23 H new ATOM 0 HB1 ALA A 104 12.195 -2.929 -1.216 1.00 60.23 H new ATOM 0 HB2 ALA A 104 13.595 -3.731 -1.967 1.00 60.23 H new ATOM 0 HB3 ALA A 104 13.539 -1.955 -1.858 1.00 60.23 H new ATOM 1722 N ALA A 105 11.774 -0.407 -3.453 1.00 42.14 N ATOM 1723 CA ALA A 105 10.941 0.801 -3.447 1.00 13.40 C ATOM 1724 C ALA A 105 9.934 0.808 -4.607 1.00 43.13 C ATOM 1725 O ALA A 105 8.741 1.058 -4.417 1.00 30.22 O ATOM 1726 CB ALA A 105 11.822 2.043 -3.512 1.00 14.31 C ATOM 0 H ALA A 105 12.775 -0.223 -3.513 1.00 42.14 H new ATOM 0 HA ALA A 105 10.373 0.805 -2.517 1.00 13.40 H new ATOM 0 HB1 ALA A 105 11.195 2.935 -3.507 1.00 14.31 H new ATOM 0 HB2 ALA A 105 12.487 2.063 -2.649 1.00 14.31 H new ATOM 0 HB3 ALA A 105 12.415 2.021 -4.427 1.00 14.31 H new ATOM 1732 N PHE A 106 10.424 0.518 -5.807 1.00 70.44 N ATOM 1733 CA PHE A 106 9.588 0.533 -7.011 1.00 44.34 C ATOM 1734 C PHE A 106 8.541 -0.595 -6.979 1.00 62.33 C ATOM 1735 O PHE A 106 7.393 -0.405 -7.393 1.00 70.35 O ATOM 1736 CB PHE A 106 10.477 0.402 -8.255 1.00 10.14 C ATOM 1737 CG PHE A 106 9.771 0.712 -9.555 1.00 21.21 C ATOM 1738 CD1 PHE A 106 9.589 2.029 -9.959 1.00 54.24 C ATOM 1739 CD2 PHE A 106 9.293 -0.305 -10.373 1.00 42.53 C ATOM 1740 CE1 PHE A 106 8.948 2.325 -11.148 1.00 71.03 C ATOM 1741 CE2 PHE A 106 8.651 -0.013 -11.563 1.00 42.30 C ATOM 1742 CZ PHE A 106 8.479 1.304 -11.951 1.00 10.23 C ATOM 0 H PHE A 106 11.398 0.268 -5.977 1.00 70.44 H new ATOM 0 HA PHE A 106 9.051 1.481 -7.047 1.00 44.34 H new ATOM 0 HB2 PHE A 106 11.331 1.071 -8.150 1.00 10.14 H new ATOM 0 HB3 PHE A 106 10.871 -0.613 -8.301 1.00 10.14 H new ATOM 0 HD1 PHE A 106 9.953 2.832 -9.336 1.00 54.24 H new ATOM 0 HD2 PHE A 106 9.424 -1.335 -10.076 1.00 42.53 H new ATOM 0 HE1 PHE A 106 8.814 3.354 -11.448 1.00 71.03 H new ATOM 0 HE2 PHE A 106 8.284 -0.813 -12.189 1.00 42.30 H new ATOM 0 HZ PHE A 106 7.979 1.533 -12.880 1.00 10.23 H new ATOM 1752 N THR A 107 8.945 -1.761 -6.476 1.00 5.34 N ATOM 1753 CA THR A 107 8.048 -2.922 -6.360 1.00 2.20 C ATOM 1754 C THR A 107 6.885 -2.647 -5.393 1.00 21.14 C ATOM 1755 O THR A 107 5.720 -2.881 -5.724 1.00 1.32 O ATOM 1756 CB THR A 107 8.816 -4.184 -5.887 1.00 43.14 C ATOM 1757 OG1 THR A 107 9.908 -4.457 -6.779 1.00 63.52 O ATOM 1758 CG2 THR A 107 7.895 -5.403 -5.819 1.00 13.14 C ATOM 0 H THR A 107 9.892 -1.932 -6.139 1.00 5.34 H new ATOM 0 HA THR A 107 7.643 -3.102 -7.356 1.00 2.20 H new ATOM 0 HB THR A 107 9.199 -3.987 -4.886 1.00 43.14 H new ATOM 0 HG1 THR A 107 10.615 -3.792 -6.643 1.00 63.52 H new ATOM 0 HG21 THR A 107 8.464 -6.271 -5.484 1.00 13.14 H new ATOM 0 HG22 THR A 107 7.084 -5.208 -5.117 1.00 13.14 H new ATOM 0 HG23 THR A 107 7.480 -5.601 -6.807 1.00 13.14 H new ATOM 1766 N LEU A 108 7.204 -2.142 -4.197 1.00 64.20 N ATOM 1767 CA LEU A 108 6.176 -1.774 -3.208 1.00 42.10 C ATOM 1768 C LEU A 108 5.237 -0.696 -3.767 1.00 13.25 C ATOM 1769 O LEU A 108 4.017 -0.763 -3.592 1.00 24.01 O ATOM 1770 CB LEU A 108 6.828 -1.272 -1.912 1.00 43.44 C ATOM 1771 CG LEU A 108 7.672 -2.301 -1.149 1.00 44.13 C ATOM 1772 CD1 LEU A 108 8.280 -1.669 0.100 1.00 3.00 C ATOM 1773 CD2 LEU A 108 6.835 -3.527 -0.784 1.00 4.23 C ATOM 0 H LEU A 108 8.162 -1.978 -3.887 1.00 64.20 H new ATOM 0 HA LEU A 108 5.591 -2.667 -2.989 1.00 42.10 H new ATOM 0 HB2 LEU A 108 7.461 -0.418 -2.153 1.00 43.44 H new ATOM 0 HB3 LEU A 108 6.043 -0.910 -1.249 1.00 43.44 H new ATOM 0 HG LEU A 108 8.483 -2.629 -1.799 1.00 44.13 H new ATOM 0 HD11 LEU A 108 8.876 -2.412 0.630 1.00 3.00 H new ATOM 0 HD12 LEU A 108 8.916 -0.832 -0.189 1.00 3.00 H new ATOM 0 HD13 LEU A 108 7.483 -1.311 0.751 1.00 3.00 H new ATOM 0 HD21 LEU A 108 7.455 -4.243 -0.244 1.00 4.23 H new ATOM 0 HD22 LEU A 108 5.999 -3.222 -0.154 1.00 4.23 H new ATOM 0 HD23 LEU A 108 6.454 -3.991 -1.694 1.00 4.23 H new ATOM 1785 N ARG A 109 5.827 0.293 -4.436 1.00 5.13 N ATOM 1786 CA ARG A 109 5.074 1.342 -5.131 1.00 63.33 C ATOM 1787 C ARG A 109 3.999 0.722 -6.044 1.00 11.14 C ATOM 1788 O ARG A 109 2.848 1.170 -6.066 1.00 62.33 O ATOM 1789 CB ARG A 109 6.071 2.201 -5.942 1.00 74.50 C ATOM 1790 CG ARG A 109 5.503 3.449 -6.632 1.00 74.24 C ATOM 1791 CD ARG A 109 4.638 3.127 -7.853 1.00 72.30 C ATOM 1792 NE ARG A 109 5.201 2.048 -8.673 1.00 11.31 N ATOM 1793 CZ ARG A 109 5.079 1.962 -9.972 1.00 44.33 C ATOM 1794 NH1 ARG A 109 4.510 2.906 -10.654 1.00 50.32 N ATOM 1795 NH2 ARG A 109 5.530 0.921 -10.590 1.00 3.22 N ATOM 0 H ARG A 109 6.839 0.392 -4.513 1.00 5.13 H new ATOM 0 HA ARG A 109 4.557 1.973 -4.409 1.00 63.33 H new ATOM 0 HB2 ARG A 109 6.871 2.517 -5.273 1.00 74.50 H new ATOM 0 HB3 ARG A 109 6.525 1.567 -6.704 1.00 74.50 H new ATOM 0 HG2 ARG A 109 4.909 4.014 -5.914 1.00 74.24 H new ATOM 0 HG3 ARG A 109 6.327 4.092 -6.939 1.00 74.24 H new ATOM 0 HD2 ARG A 109 3.639 2.843 -7.522 1.00 72.30 H new ATOM 0 HD3 ARG A 109 4.529 4.023 -8.463 1.00 72.30 H new ATOM 0 HE ARG A 109 5.724 1.314 -8.196 1.00 11.31 H new ATOM 0 HH11 ARG A 109 4.149 3.733 -10.178 1.00 50.32 H new ATOM 0 HH12 ARG A 109 4.423 2.822 -11.667 1.00 50.32 H new ATOM 0 HH21 ARG A 109 5.979 0.171 -10.065 1.00 3.22 H new ATOM 0 HH22 ARG A 109 5.437 0.849 -11.603 1.00 3.22 H new ATOM 1809 N THR A 110 4.389 -0.309 -6.792 1.00 52.33 N ATOM 1810 CA THR A 110 3.479 -0.995 -7.715 1.00 52.31 C ATOM 1811 C THR A 110 2.382 -1.774 -6.966 1.00 64.53 C ATOM 1812 O THR A 110 1.189 -1.542 -7.167 1.00 65.12 O ATOM 1813 CB THR A 110 4.241 -1.989 -8.632 1.00 60.01 C ATOM 1814 OG1 THR A 110 5.325 -1.328 -9.307 1.00 62.21 O ATOM 1815 CG2 THR A 110 3.306 -2.611 -9.666 1.00 34.01 C ATOM 0 H THR A 110 5.335 -0.691 -6.778 1.00 52.33 H new ATOM 0 HA THR A 110 3.019 -0.213 -8.320 1.00 52.31 H new ATOM 0 HB THR A 110 4.640 -2.780 -7.997 1.00 60.01 H new ATOM 0 HG1 THR A 110 5.989 -1.034 -8.649 1.00 62.21 H new ATOM 0 HG21 THR A 110 3.867 -3.303 -10.294 1.00 34.01 H new ATOM 0 HG22 THR A 110 2.507 -3.150 -9.157 1.00 34.01 H new ATOM 0 HG23 THR A 110 2.875 -1.825 -10.287 1.00 34.01 H new ATOM 1823 N GLN A 111 2.798 -2.688 -6.088 1.00 62.42 N ATOM 1824 CA GLN A 111 1.863 -3.600 -5.413 1.00 42.05 C ATOM 1825 C GLN A 111 0.833 -2.854 -4.546 1.00 75.23 C ATOM 1826 O GLN A 111 -0.351 -3.205 -4.539 1.00 61.12 O ATOM 1827 CB GLN A 111 2.633 -4.625 -4.567 1.00 62.43 C ATOM 1828 CG GLN A 111 3.655 -5.433 -5.365 1.00 54.53 C ATOM 1829 CD GLN A 111 3.053 -6.143 -6.573 1.00 63.32 C ATOM 1830 OE1 GLN A 111 1.889 -6.535 -6.575 1.00 64.02 O ATOM 1831 NE2 GLN A 111 3.843 -6.309 -7.616 1.00 12.24 N ATOM 0 H GLN A 111 3.775 -2.819 -5.825 1.00 62.42 H new ATOM 0 HA GLN A 111 1.306 -4.121 -6.192 1.00 42.05 H new ATOM 0 HB2 GLN A 111 3.146 -4.104 -3.758 1.00 62.43 H new ATOM 0 HB3 GLN A 111 1.922 -5.310 -4.105 1.00 62.43 H new ATOM 0 HG2 GLN A 111 4.450 -4.768 -5.702 1.00 54.53 H new ATOM 0 HG3 GLN A 111 4.115 -6.173 -4.710 1.00 54.53 H new ATOM 0 HE21 GLN A 111 4.806 -5.973 -7.585 1.00 12.24 H new ATOM 0 HE22 GLN A 111 3.491 -6.774 -8.453 1.00 12.24 H new ATOM 1840 N TYR A 112 1.275 -1.825 -3.821 1.00 61.12 N ATOM 1841 CA TYR A 112 0.356 -1.019 -3.007 1.00 64.02 C ATOM 1842 C TYR A 112 -0.729 -0.388 -3.894 1.00 20.30 C ATOM 1843 O TYR A 112 -1.916 -0.421 -3.565 1.00 52.35 O ATOM 1844 CB TYR A 112 1.119 0.078 -2.245 1.00 40.23 C ATOM 1845 CG TYR A 112 0.266 0.818 -1.221 1.00 50.43 C ATOM 1846 CD1 TYR A 112 -0.545 1.889 -1.593 1.00 1.53 C ATOM 1847 CD2 TYR A 112 0.272 0.441 0.118 1.00 72.40 C ATOM 1848 CE1 TYR A 112 -1.319 2.556 -0.662 1.00 64.11 C ATOM 1849 CE2 TYR A 112 -0.502 1.105 1.051 1.00 45.43 C ATOM 1850 CZ TYR A 112 -1.295 2.159 0.656 1.00 44.32 C ATOM 1851 OH TYR A 112 -2.062 2.822 1.588 1.00 30.33 O ATOM 0 H TYR A 112 2.251 -1.530 -3.779 1.00 61.12 H new ATOM 0 HA TYR A 112 -0.120 -1.677 -2.279 1.00 64.02 H new ATOM 0 HB2 TYR A 112 1.973 -0.371 -1.737 1.00 40.23 H new ATOM 0 HB3 TYR A 112 1.516 0.797 -2.962 1.00 40.23 H new ATOM 0 HD1 TYR A 112 -0.569 2.203 -2.626 1.00 1.53 H new ATOM 0 HD2 TYR A 112 0.892 -0.385 0.434 1.00 72.40 H new ATOM 0 HE1 TYR A 112 -1.940 3.385 -0.967 1.00 64.11 H new ATOM 0 HE2 TYR A 112 -0.485 0.798 2.086 1.00 45.43 H new ATOM 0 HH TYR A 112 -1.930 2.415 2.470 1.00 30.33 H new ATOM 1861 N MET A 113 -0.302 0.173 -5.025 1.00 52.11 N ATOM 1862 CA MET A 113 -1.218 0.766 -6.007 1.00 74.33 C ATOM 1863 C MET A 113 -2.267 -0.252 -6.484 1.00 44.45 C ATOM 1864 O MET A 113 -3.445 0.072 -6.644 1.00 73.14 O ATOM 1865 CB MET A 113 -0.415 1.274 -7.210 1.00 22.34 C ATOM 1866 CG MET A 113 -1.250 1.967 -8.280 1.00 60.10 C ATOM 1867 SD MET A 113 -0.302 2.292 -9.781 1.00 53.42 S ATOM 1868 CE MET A 113 1.083 3.199 -9.107 1.00 32.32 C ATOM 0 H MET A 113 0.682 0.231 -5.288 1.00 52.11 H new ATOM 0 HA MET A 113 -1.742 1.593 -5.528 1.00 74.33 H new ATOM 0 HB2 MET A 113 0.347 1.968 -6.855 1.00 22.34 H new ATOM 0 HB3 MET A 113 0.108 0.432 -7.664 1.00 22.34 H new ATOM 0 HG2 MET A 113 -2.112 1.346 -8.524 1.00 60.10 H new ATOM 0 HG3 MET A 113 -1.636 2.907 -7.885 1.00 60.10 H new ATOM 0 HE1 MET A 113 1.718 3.550 -9.920 1.00 32.32 H new ATOM 0 HE2 MET A 113 0.716 4.053 -8.538 1.00 32.32 H new ATOM 0 HE3 MET A 113 1.660 2.547 -8.451 1.00 32.32 H new ATOM 1878 N LYS A 114 -1.819 -1.485 -6.703 1.00 54.24 N ATOM 1879 CA LYS A 114 -2.675 -2.559 -7.216 1.00 32.43 C ATOM 1880 C LYS A 114 -3.770 -2.976 -6.216 1.00 23.25 C ATOM 1881 O LYS A 114 -4.928 -3.160 -6.599 1.00 33.44 O ATOM 1882 CB LYS A 114 -1.810 -3.780 -7.566 1.00 20.03 C ATOM 1883 CG LYS A 114 -0.809 -3.531 -8.693 1.00 34.44 C ATOM 1884 CD LYS A 114 0.171 -4.692 -8.854 1.00 21.31 C ATOM 1885 CE LYS A 114 -0.542 -6.026 -9.066 1.00 35.55 C ATOM 1886 NZ LYS A 114 0.422 -7.145 -9.247 1.00 34.23 N ATOM 0 H LYS A 114 -0.855 -1.771 -6.531 1.00 54.24 H new ATOM 0 HA LYS A 114 -3.177 -2.176 -8.104 1.00 32.43 H new ATOM 0 HB2 LYS A 114 -1.267 -4.095 -6.675 1.00 20.03 H new ATOM 0 HB3 LYS A 114 -2.463 -4.605 -7.850 1.00 20.03 H new ATOM 0 HG2 LYS A 114 -1.347 -3.378 -9.629 1.00 34.44 H new ATOM 0 HG3 LYS A 114 -0.255 -2.614 -8.490 1.00 34.44 H new ATOM 0 HD2 LYS A 114 0.828 -4.495 -9.701 1.00 21.31 H new ATOM 0 HD3 LYS A 114 0.803 -4.757 -7.968 1.00 21.31 H new ATOM 0 HE2 LYS A 114 -1.185 -6.235 -8.211 1.00 35.55 H new ATOM 0 HE3 LYS A 114 -1.188 -5.958 -9.941 1.00 35.55 H new ATOM 0 HZ1 LYS A 114 -0.096 -8.046 -9.286 1.00 34.23 H new ATOM 0 HZ2 LYS A 114 0.949 -7.009 -10.133 1.00 34.23 H new ATOM 0 HZ3 LYS A 114 1.087 -7.163 -8.448 1.00 34.23 H new ATOM 1900 N TYR A 115 -3.403 -3.135 -4.944 1.00 44.11 N ATOM 1901 CA TYR A 115 -4.325 -3.700 -3.945 1.00 34.44 C ATOM 1902 C TYR A 115 -4.835 -2.659 -2.923 1.00 4.11 C ATOM 1903 O TYR A 115 -6.040 -2.531 -2.710 1.00 73.12 O ATOM 1904 CB TYR A 115 -3.633 -4.861 -3.206 1.00 43.21 C ATOM 1905 CG TYR A 115 -3.183 -5.990 -4.124 1.00 13.33 C ATOM 1906 CD1 TYR A 115 -4.067 -6.994 -4.506 1.00 53.42 C ATOM 1907 CD2 TYR A 115 -1.881 -6.047 -4.614 1.00 63.54 C ATOM 1908 CE1 TYR A 115 -3.669 -8.016 -5.347 1.00 41.35 C ATOM 1909 CE2 TYR A 115 -1.477 -7.069 -5.454 1.00 72.31 C ATOM 1910 CZ TYR A 115 -2.377 -8.049 -5.819 1.00 13.11 C ATOM 1911 OH TYR A 115 -1.983 -9.067 -6.658 1.00 21.24 O ATOM 0 H TYR A 115 -2.484 -2.885 -4.579 1.00 44.11 H new ATOM 0 HA TYR A 115 -5.200 -4.057 -4.488 1.00 34.44 H new ATOM 0 HB2 TYR A 115 -2.767 -4.474 -2.670 1.00 43.21 H new ATOM 0 HB3 TYR A 115 -4.317 -5.263 -2.459 1.00 43.21 H new ATOM 0 HD1 TYR A 115 -5.082 -6.974 -4.139 1.00 53.42 H new ATOM 0 HD2 TYR A 115 -1.174 -5.280 -4.333 1.00 63.54 H new ATOM 0 HE1 TYR A 115 -4.370 -8.786 -5.633 1.00 41.35 H new ATOM 0 HE2 TYR A 115 -0.462 -7.100 -5.822 1.00 72.31 H new ATOM 0 HH TYR A 115 -1.664 -9.825 -6.125 1.00 21.24 H new ATOM 1921 N LEU A 116 -3.922 -1.908 -2.313 1.00 4.01 N ATOM 1922 CA LEU A 116 -4.264 -1.065 -1.152 1.00 5.15 C ATOM 1923 C LEU A 116 -4.645 0.382 -1.519 1.00 15.44 C ATOM 1924 O LEU A 116 -5.344 1.049 -0.751 1.00 41.23 O ATOM 1925 CB LEU A 116 -3.091 -1.061 -0.162 1.00 44.34 C ATOM 1926 CG LEU A 116 -2.852 -2.391 0.575 1.00 52.51 C ATOM 1927 CD1 LEU A 116 -1.560 -2.345 1.384 1.00 44.32 C ATOM 1928 CD2 LEU A 116 -4.033 -2.720 1.482 1.00 25.50 C ATOM 0 H LEU A 116 -2.943 -1.860 -2.595 1.00 4.01 H new ATOM 0 HA LEU A 116 -5.153 -1.505 -0.700 1.00 5.15 H new ATOM 0 HB2 LEU A 116 -2.182 -0.794 -0.701 1.00 44.34 H new ATOM 0 HB3 LEU A 116 -3.264 -0.280 0.578 1.00 44.34 H new ATOM 0 HG LEU A 116 -2.756 -3.177 -0.174 1.00 52.51 H new ATOM 0 HD11 LEU A 116 -1.416 -3.297 1.894 1.00 44.32 H new ATOM 0 HD12 LEU A 116 -0.719 -2.161 0.716 1.00 44.32 H new ATOM 0 HD13 LEU A 116 -1.620 -1.544 2.121 1.00 44.32 H new ATOM 0 HD21 LEU A 116 -3.846 -3.664 1.995 1.00 25.50 H new ATOM 0 HD22 LEU A 116 -4.159 -1.926 2.218 1.00 25.50 H new ATOM 0 HD23 LEU A 116 -4.939 -2.806 0.883 1.00 25.50 H new ATOM 1940 N TYR A 117 -4.204 0.868 -2.681 1.00 73.13 N ATOM 1941 CA TYR A 117 -4.453 2.269 -3.069 1.00 43.23 C ATOM 1942 C TYR A 117 -5.953 2.637 -3.034 1.00 25.25 C ATOM 1943 O TYR A 117 -6.321 3.653 -2.438 1.00 50.53 O ATOM 1944 CB TYR A 117 -3.865 2.590 -4.452 1.00 52.24 C ATOM 1945 CG TYR A 117 -4.226 3.982 -4.945 1.00 71.43 C ATOM 1946 CD1 TYR A 117 -3.647 5.113 -4.377 1.00 53.13 C ATOM 1947 CD2 TYR A 117 -5.164 4.166 -5.957 1.00 13.45 C ATOM 1948 CE1 TYR A 117 -3.987 6.382 -4.805 1.00 41.43 C ATOM 1949 CE2 TYR A 117 -5.512 5.432 -6.387 1.00 75.05 C ATOM 1950 CZ TYR A 117 -4.918 6.536 -5.809 1.00 53.53 C ATOM 1951 OH TYR A 117 -5.265 7.798 -6.231 1.00 4.52 O ATOM 0 H TYR A 117 -3.679 0.325 -3.366 1.00 73.13 H new ATOM 0 HA TYR A 117 -3.944 2.879 -2.323 1.00 43.23 H new ATOM 0 HB2 TYR A 117 -2.780 2.496 -4.410 1.00 52.24 H new ATOM 0 HB3 TYR A 117 -4.221 1.853 -5.172 1.00 52.24 H new ATOM 0 HD1 TYR A 117 -2.919 4.997 -3.588 1.00 53.13 H new ATOM 0 HD2 TYR A 117 -5.628 3.304 -6.414 1.00 13.45 H new ATOM 0 HE1 TYR A 117 -3.525 7.249 -4.355 1.00 41.43 H new ATOM 0 HE2 TYR A 117 -6.244 5.557 -7.171 1.00 75.05 H new ATOM 0 HH TYR A 117 -5.933 7.732 -6.945 1.00 4.52 H new ATOM 1961 N PRO A 118 -6.849 1.839 -3.670 1.00 70.30 N ATOM 1962 CA PRO A 118 -8.297 2.110 -3.619 1.00 33.21 C ATOM 1963 C PRO A 118 -8.815 2.258 -2.178 1.00 20.42 C ATOM 1964 O PRO A 118 -9.723 3.046 -1.906 1.00 44.51 O ATOM 1965 CB PRO A 118 -8.916 0.876 -4.291 1.00 60.10 C ATOM 1966 CG PRO A 118 -7.845 0.359 -5.190 1.00 25.34 C ATOM 1967 CD PRO A 118 -6.546 0.638 -4.484 1.00 74.13 C ATOM 0 HA PRO A 118 -8.553 3.050 -4.109 1.00 33.21 H new ATOM 0 HB2 PRO A 118 -9.209 0.129 -3.554 1.00 60.10 H new ATOM 0 HB3 PRO A 118 -9.812 1.139 -4.853 1.00 60.10 H new ATOM 0 HG2 PRO A 118 -7.969 -0.708 -5.372 1.00 25.34 H new ATOM 0 HG3 PRO A 118 -7.877 0.854 -6.161 1.00 25.34 H new ATOM 0 HD2 PRO A 118 -6.238 -0.202 -3.862 1.00 74.13 H new ATOM 0 HD3 PRO A 118 -5.737 0.825 -5.190 1.00 74.13 H new ATOM 1975 N TYR A 119 -8.213 1.505 -1.257 1.00 51.51 N ATOM 1976 CA TYR A 119 -8.628 1.516 0.148 1.00 14.32 C ATOM 1977 C TYR A 119 -8.173 2.810 0.849 1.00 75.33 C ATOM 1978 O TYR A 119 -8.920 3.390 1.642 1.00 3.23 O ATOM 1979 CB TYR A 119 -8.059 0.285 0.873 1.00 55.01 C ATOM 1980 CG TYR A 119 -8.830 -0.110 2.124 1.00 42.42 C ATOM 1981 CD1 TYR A 119 -9.953 -0.929 2.037 1.00 1.04 C ATOM 1982 CD2 TYR A 119 -8.438 0.327 3.387 1.00 24.01 C ATOM 1983 CE1 TYR A 119 -10.660 -1.297 3.166 1.00 44.22 C ATOM 1984 CE2 TYR A 119 -9.142 -0.039 4.521 1.00 45.55 C ATOM 1985 CZ TYR A 119 -10.251 -0.851 4.405 1.00 33.11 C ATOM 1986 OH TYR A 119 -10.956 -1.221 5.532 1.00 73.03 O ATOM 0 H TYR A 119 -7.434 0.878 -1.458 1.00 51.51 H new ATOM 0 HA TYR A 119 -9.717 1.479 0.185 1.00 14.32 H new ATOM 0 HB2 TYR A 119 -8.051 -0.558 0.183 1.00 55.01 H new ATOM 0 HB3 TYR A 119 -7.023 0.484 1.146 1.00 55.01 H new ATOM 0 HD1 TYR A 119 -10.277 -1.283 1.070 1.00 1.04 H new ATOM 0 HD2 TYR A 119 -7.570 0.962 3.483 1.00 24.01 H new ATOM 0 HE1 TYR A 119 -11.530 -1.931 3.078 1.00 44.22 H new ATOM 0 HE2 TYR A 119 -8.824 0.310 5.493 1.00 45.55 H new ATOM 0 HH TYR A 119 -10.538 -0.824 6.324 1.00 73.03 H new ATOM 1996 N GLU A 120 -6.946 3.258 0.549 1.00 24.32 N ATOM 1997 CA GLU A 120 -6.421 4.520 1.100 1.00 74.22 C ATOM 1998 C GLU A 120 -7.289 5.706 0.656 1.00 71.04 C ATOM 1999 O GLU A 120 -7.746 6.500 1.476 1.00 45.00 O ATOM 2000 CB GLU A 120 -4.959 4.746 0.658 1.00 71.24 C ATOM 2001 CG GLU A 120 -4.265 5.931 1.353 1.00 63.04 C ATOM 2002 CD GLU A 120 -3.789 7.021 0.391 1.00 52.04 C ATOM 2003 OE1 GLU A 120 -4.587 7.931 0.070 1.00 3.40 O ATOM 2004 OE2 GLU A 120 -2.606 6.989 -0.023 1.00 73.22 O ATOM 0 H GLU A 120 -6.299 2.769 -0.070 1.00 24.32 H new ATOM 0 HA GLU A 120 -6.450 4.448 2.187 1.00 74.22 H new ATOM 0 HB2 GLU A 120 -4.388 3.839 0.855 1.00 71.24 H new ATOM 0 HB3 GLU A 120 -4.938 4.909 -0.420 1.00 71.24 H new ATOM 0 HG2 GLU A 120 -4.954 6.371 2.073 1.00 63.04 H new ATOM 0 HG3 GLU A 120 -3.410 5.559 1.917 1.00 63.04 H new ATOM 2011 N CYS A 121 -7.528 5.802 -0.650 1.00 60.34 N ATOM 2012 CA CYS A 121 -8.364 6.870 -1.218 1.00 54.34 C ATOM 2013 C CYS A 121 -9.808 6.810 -0.682 1.00 0.40 C ATOM 2014 O CYS A 121 -10.498 7.826 -0.608 1.00 2.50 O ATOM 2015 CB CYS A 121 -8.371 6.782 -2.750 1.00 52.41 C ATOM 2016 SG CYS A 121 -9.305 8.098 -3.566 1.00 10.32 S ATOM 0 H CYS A 121 -7.155 5.152 -1.342 1.00 60.34 H new ATOM 0 HA CYS A 121 -7.932 7.823 -0.912 1.00 54.34 H new ATOM 0 HB2 CYS A 121 -7.342 6.807 -3.108 1.00 52.41 H new ATOM 0 HB3 CYS A 121 -8.788 5.819 -3.045 1.00 52.41 H new ATOM 0 HG CYS A 121 -10.210 8.556 -2.753 1.00 10.32 H new ATOM 2022 N GLU A 122 -10.264 5.609 -0.324 1.00 3.13 N ATOM 2023 CA GLU A 122 -11.612 5.418 0.232 1.00 70.03 C ATOM 2024 C GLU A 122 -11.708 5.892 1.694 1.00 14.24 C ATOM 2025 O GLU A 122 -12.402 6.866 2.000 1.00 13.14 O ATOM 2026 CB GLU A 122 -12.017 3.936 0.139 1.00 65.11 C ATOM 2027 CG GLU A 122 -13.345 3.595 0.822 1.00 73.02 C ATOM 2028 CD GLU A 122 -14.525 4.387 0.275 1.00 15.04 C ATOM 2029 OE1 GLU A 122 -14.671 4.479 -0.962 1.00 71.11 O ATOM 2030 OE2 GLU A 122 -15.313 4.926 1.084 1.00 24.35 O ATOM 0 H GLU A 122 -9.721 4.750 -0.408 1.00 3.13 H new ATOM 0 HA GLU A 122 -12.296 6.026 -0.360 1.00 70.03 H new ATOM 0 HB2 GLU A 122 -12.081 3.656 -0.912 1.00 65.11 H new ATOM 0 HB3 GLU A 122 -11.228 3.329 0.583 1.00 65.11 H new ATOM 0 HG2 GLU A 122 -13.544 2.530 0.702 1.00 73.02 H new ATOM 0 HG3 GLU A 122 -13.254 3.784 1.892 1.00 73.02 H new ATOM 2037 N LYS A 123 -11.002 5.200 2.586 1.00 0.22 N ATOM 2038 CA LYS A 123 -11.087 5.468 4.031 1.00 50.24 C ATOM 2039 C LYS A 123 -10.345 6.759 4.420 1.00 62.23 C ATOM 2040 O LYS A 123 -10.558 7.310 5.501 1.00 51.25 O ATOM 2041 CB LYS A 123 -10.517 4.278 4.819 1.00 20.32 C ATOM 2042 CG LYS A 123 -11.178 2.936 4.497 1.00 12.44 C ATOM 2043 CD LYS A 123 -12.659 2.912 4.872 1.00 10.14 C ATOM 2044 CE LYS A 123 -13.307 1.574 4.525 1.00 43.00 C ATOM 2045 NZ LYS A 123 -14.757 1.551 4.854 1.00 3.11 N ATOM 0 H LYS A 123 -10.361 4.446 2.338 1.00 0.22 H new ATOM 0 HA LYS A 123 -12.139 5.604 4.281 1.00 50.24 H new ATOM 0 HB2 LYS A 123 -9.449 4.201 4.617 1.00 20.32 H new ATOM 0 HB3 LYS A 123 -10.626 4.477 5.885 1.00 20.32 H new ATOM 0 HG2 LYS A 123 -11.072 2.728 3.432 1.00 12.44 H new ATOM 0 HG3 LYS A 123 -10.658 2.140 5.031 1.00 12.44 H new ATOM 0 HD2 LYS A 123 -12.767 3.103 5.940 1.00 10.14 H new ATOM 0 HD3 LYS A 123 -13.180 3.715 4.350 1.00 10.14 H new ATOM 0 HE2 LYS A 123 -13.174 1.372 3.462 1.00 43.00 H new ATOM 0 HE3 LYS A 123 -12.800 0.775 5.067 1.00 43.00 H new ATOM 0 HZ1 LYS A 123 -15.156 0.624 4.602 1.00 3.11 H new ATOM 0 HZ2 LYS A 123 -14.885 1.717 5.873 1.00 3.11 H new ATOM 0 HZ3 LYS A 123 -15.246 2.296 4.318 1.00 3.11 H new ATOM 2059 N ARG A 124 -9.467 7.228 3.539 1.00 1.54 N ATOM 2060 CA ARG A 124 -8.692 8.451 3.777 1.00 5.13 C ATOM 2061 C ARG A 124 -8.789 9.414 2.582 1.00 70.11 C ATOM 2062 O ARG A 124 -9.532 9.179 1.631 1.00 2.33 O ATOM 2063 CB ARG A 124 -7.216 8.097 4.033 1.00 51.03 C ATOM 2064 CG ARG A 124 -6.974 7.276 5.297 1.00 72.13 C ATOM 2065 CD ARG A 124 -7.331 8.061 6.552 1.00 24.22 C ATOM 2066 NE ARG A 124 -7.004 7.332 7.775 1.00 15.51 N ATOM 2067 CZ ARG A 124 -6.640 7.905 8.891 1.00 71.31 C ATOM 2068 NH1 ARG A 124 -6.601 9.198 8.986 1.00 14.52 N ATOM 2069 NH2 ARG A 124 -6.329 7.179 9.916 1.00 54.44 N ATOM 0 H ARG A 124 -9.270 6.778 2.645 1.00 1.54 H new ATOM 0 HA ARG A 124 -9.109 8.947 4.654 1.00 5.13 H new ATOM 0 HB2 ARG A 124 -6.834 7.543 3.176 1.00 51.03 H new ATOM 0 HB3 ARG A 124 -6.640 9.020 4.098 1.00 51.03 H new ATOM 0 HG2 ARG A 124 -7.567 6.363 5.257 1.00 72.13 H new ATOM 0 HG3 ARG A 124 -5.927 6.975 5.341 1.00 72.13 H new ATOM 0 HD2 ARG A 124 -6.799 9.013 6.546 1.00 24.22 H new ATOM 0 HD3 ARG A 124 -8.396 8.291 6.543 1.00 24.22 H new ATOM 0 HE ARG A 124 -7.064 6.314 7.756 1.00 15.51 H new ATOM 0 HH11 ARG A 124 -6.856 9.776 8.185 1.00 14.52 H new ATOM 0 HH12 ARG A 124 -6.316 9.637 9.861 1.00 14.52 H new ATOM 0 HH21 ARG A 124 -6.368 6.162 9.851 1.00 54.44 H new ATOM 0 HH22 ARG A 124 -6.044 7.624 10.789 1.00 54.44 H new ATOM 2083 N GLY A 125 -8.043 10.509 2.653 1.00 31.20 N ATOM 2084 CA GLY A 125 -7.944 11.438 1.532 1.00 31.04 C ATOM 2085 C GLY A 125 -6.517 11.922 1.337 1.00 33.24 C ATOM 2086 O GLY A 125 -6.282 13.091 1.027 1.00 20.24 O ATOM 0 H GLY A 125 -7.498 10.776 3.473 1.00 31.20 H new ATOM 0 HA2 GLY A 125 -8.292 10.950 0.621 1.00 31.04 H new ATOM 0 HA3 GLY A 125 -8.599 12.292 1.706 1.00 31.04 H new ATOM 2090 N LEU A 126 -5.565 11.008 1.514 1.00 54.35 N ATOM 2091 CA LEU A 126 -4.141 11.350 1.527 1.00 41.02 C ATOM 2092 C LEU A 126 -3.599 11.621 0.116 1.00 44.30 C ATOM 2093 O LEU A 126 -3.023 12.679 -0.143 1.00 43.51 O ATOM 2094 CB LEU A 126 -3.334 10.219 2.189 1.00 41.04 C ATOM 2095 CG LEU A 126 -3.792 9.817 3.604 1.00 0.21 C ATOM 2096 CD1 LEU A 126 -2.964 8.647 4.135 1.00 24.42 C ATOM 2097 CD2 LEU A 126 -3.715 11.006 4.558 1.00 43.30 C ATOM 0 H LEU A 126 -5.755 10.015 1.652 1.00 54.35 H new ATOM 0 HA LEU A 126 -4.031 12.268 2.104 1.00 41.02 H new ATOM 0 HB2 LEU A 126 -3.381 9.339 1.547 1.00 41.04 H new ATOM 0 HB3 LEU A 126 -2.288 10.523 2.237 1.00 41.04 H new ATOM 0 HG LEU A 126 -4.832 9.496 3.541 1.00 0.21 H new ATOM 0 HD11 LEU A 126 -3.307 8.383 5.135 1.00 24.42 H new ATOM 0 HD12 LEU A 126 -3.080 7.789 3.473 1.00 24.42 H new ATOM 0 HD13 LEU A 126 -1.913 8.934 4.176 1.00 24.42 H new ATOM 0 HD21 LEU A 126 -4.043 10.698 5.551 1.00 43.30 H new ATOM 0 HD22 LEU A 126 -2.687 11.364 4.611 1.00 43.30 H new ATOM 0 HD23 LEU A 126 -4.360 11.806 4.195 1.00 43.30 H new ATOM 2109 N SER A 127 -3.786 10.668 -0.796 1.00 60.13 N ATOM 2110 CA SER A 127 -3.233 10.786 -2.155 1.00 33.12 C ATOM 2111 C SER A 127 -4.331 10.849 -3.227 1.00 71.41 C ATOM 2112 O SER A 127 -5.404 10.264 -3.076 1.00 61.15 O ATOM 2113 CB SER A 127 -2.307 9.605 -2.457 1.00 30.03 C ATOM 2114 OG SER A 127 -1.406 9.352 -1.387 1.00 5.35 O ATOM 0 H SER A 127 -4.311 9.810 -0.626 1.00 60.13 H new ATOM 0 HA SER A 127 -2.673 11.721 -2.187 1.00 33.12 H new ATOM 0 HB2 SER A 127 -2.905 8.714 -2.647 1.00 30.03 H new ATOM 0 HB3 SER A 127 -1.742 9.809 -3.367 1.00 30.03 H new ATOM 0 HG SER A 127 -1.712 8.571 -0.879 1.00 5.35 H new ATOM 2120 N ASN A 128 -4.051 11.570 -4.315 1.00 4.11 N ATOM 2121 CA ASN A 128 -4.969 11.660 -5.462 1.00 35.53 C ATOM 2122 C ASN A 128 -4.392 10.924 -6.686 1.00 14.40 C ATOM 2123 O ASN A 128 -3.173 10.843 -6.846 1.00 40.53 O ATOM 2124 CB ASN A 128 -5.210 13.131 -5.829 1.00 4.31 C ATOM 2125 CG ASN A 128 -5.563 13.986 -4.630 1.00 3.43 C ATOM 2126 OD1 ASN A 128 -6.166 13.521 -3.668 1.00 45.15 O ATOM 2127 ND2 ASN A 128 -5.184 15.246 -4.680 1.00 31.50 N ATOM 0 H ASN A 128 -3.190 12.105 -4.430 1.00 4.11 H new ATOM 0 HA ASN A 128 -5.911 11.191 -5.177 1.00 35.53 H new ATOM 0 HB2 ASN A 128 -4.316 13.533 -6.305 1.00 4.31 H new ATOM 0 HB3 ASN A 128 -6.015 13.191 -6.561 1.00 4.31 H new ATOM 0 HD21 ASN A 128 -5.390 15.872 -3.901 1.00 31.50 H new ATOM 0 HD22 ASN A 128 -4.684 15.596 -5.497 1.00 31.50 H new ATOM 2134 N PRO A 129 -5.251 10.402 -7.589 1.00 75.24 N ATOM 2135 CA PRO A 129 -4.789 9.694 -8.801 1.00 51.41 C ATOM 2136 C PRO A 129 -4.001 10.614 -9.750 1.00 1.15 C ATOM 2137 O PRO A 129 -3.033 10.193 -10.392 1.00 73.35 O ATOM 2138 CB PRO A 129 -6.096 9.218 -9.460 1.00 73.30 C ATOM 2139 CG PRO A 129 -7.153 10.121 -8.914 1.00 44.52 C ATOM 2140 CD PRO A 129 -6.726 10.450 -7.508 1.00 34.24 C ATOM 0 HA PRO A 129 -4.102 8.882 -8.563 1.00 51.41 H new ATOM 0 HB2 PRO A 129 -6.039 9.288 -10.546 1.00 73.30 H new ATOM 0 HB3 PRO A 129 -6.303 8.176 -9.218 1.00 73.30 H new ATOM 0 HG2 PRO A 129 -7.244 11.025 -9.516 1.00 44.52 H new ATOM 0 HG3 PRO A 129 -8.127 9.632 -8.922 1.00 44.52 H new ATOM 0 HD2 PRO A 129 -7.081 11.433 -7.198 1.00 34.24 H new ATOM 0 HD3 PRO A 129 -7.114 9.729 -6.789 1.00 34.24 H new ATOM 2148 N ASN A 130 -4.418 11.876 -9.821 1.00 4.01 N ATOM 2149 CA ASN A 130 -3.742 12.870 -10.657 1.00 51.12 C ATOM 2150 C ASN A 130 -2.297 13.106 -10.180 1.00 23.55 C ATOM 2151 O ASN A 130 -1.349 13.029 -10.968 1.00 74.14 O ATOM 2152 CB ASN A 130 -4.522 14.190 -10.647 1.00 51.04 C ATOM 2153 CG ASN A 130 -5.980 14.008 -11.028 1.00 24.51 C ATOM 2154 OD1 ASN A 130 -6.341 14.036 -12.197 1.00 42.21 O ATOM 2155 ND2 ASN A 130 -6.839 13.841 -10.040 1.00 1.23 N ATOM 0 H ASN A 130 -5.223 12.237 -9.309 1.00 4.01 H new ATOM 0 HA ASN A 130 -3.705 12.485 -11.676 1.00 51.12 H new ATOM 0 HB2 ASN A 130 -4.462 14.636 -9.654 1.00 51.04 H new ATOM 0 HB3 ASN A 130 -4.054 14.890 -11.339 1.00 51.04 H new ATOM 0 HD21 ASN A 130 -7.833 13.731 -10.241 1.00 1.23 H new ATOM 0 HD22 ASN A 130 -6.509 13.822 -9.075 1.00 1.23 H new ATOM 2162 N GLU A 131 -2.132 13.386 -8.886 1.00 24.52 N ATOM 2163 CA GLU A 131 -0.798 13.595 -8.310 1.00 52.31 C ATOM 2164 C GLU A 131 0.022 12.295 -8.320 1.00 21.31 C ATOM 2165 O GLU A 131 1.246 12.333 -8.427 1.00 22.32 O ATOM 2166 CB GLU A 131 -0.890 14.181 -6.888 1.00 11.20 C ATOM 2167 CG GLU A 131 -1.412 13.224 -5.822 1.00 13.24 C ATOM 2168 CD GLU A 131 -1.438 13.868 -4.444 1.00 11.43 C ATOM 2169 OE1 GLU A 131 -0.362 14.051 -3.843 1.00 3.03 O ATOM 2170 OE2 GLU A 131 -2.532 14.221 -3.970 1.00 75.34 O ATOM 0 H GLU A 131 -2.899 13.473 -8.219 1.00 24.52 H new ATOM 0 HA GLU A 131 -0.279 14.321 -8.936 1.00 52.31 H new ATOM 0 HB2 GLU A 131 0.100 14.526 -6.590 1.00 11.20 H new ATOM 0 HB3 GLU A 131 -1.538 15.057 -6.915 1.00 11.20 H new ATOM 0 HG2 GLU A 131 -2.417 12.897 -6.089 1.00 13.24 H new ATOM 0 HG3 GLU A 131 -0.784 12.334 -5.795 1.00 13.24 H new ATOM 2177 N LEU A 132 -0.659 11.152 -8.192 1.00 10.45 N ATOM 2178 CA LEU A 132 -0.006 9.834 -8.275 1.00 2.22 C ATOM 2179 C LEU A 132 0.821 9.693 -9.562 1.00 22.11 C ATOM 2180 O LEU A 132 2.006 9.354 -9.520 1.00 2.04 O ATOM 2181 CB LEU A 132 -1.064 8.718 -8.200 1.00 61.32 C ATOM 2182 CG LEU A 132 -0.523 7.277 -8.274 1.00 14.13 C ATOM 2183 CD1 LEU A 132 0.443 6.992 -7.127 1.00 61.32 C ATOM 2184 CD2 LEU A 132 -1.673 6.269 -8.276 1.00 32.32 C ATOM 0 H LEU A 132 -1.665 11.109 -8.030 1.00 10.45 H new ATOM 0 HA LEU A 132 0.677 9.744 -7.430 1.00 2.22 H new ATOM 0 HB2 LEU A 132 -1.619 8.831 -7.268 1.00 61.32 H new ATOM 0 HB3 LEU A 132 -1.775 8.862 -9.014 1.00 61.32 H new ATOM 0 HG LEU A 132 0.028 7.172 -9.209 1.00 14.13 H new ATOM 0 HD11 LEU A 132 0.809 5.968 -7.205 1.00 61.32 H new ATOM 0 HD12 LEU A 132 1.285 7.683 -7.180 1.00 61.32 H new ATOM 0 HD13 LEU A 132 -0.073 7.121 -6.176 1.00 61.32 H new ATOM 0 HD21 LEU A 132 -1.270 5.258 -8.329 1.00 32.32 H new ATOM 0 HD22 LEU A 132 -2.256 6.380 -7.362 1.00 32.32 H new ATOM 0 HD23 LEU A 132 -2.314 6.450 -9.139 1.00 32.32 H new ATOM 2196 N GLN A 133 0.191 9.963 -10.705 1.00 2.41 N ATOM 2197 CA GLN A 133 0.880 9.897 -11.998 1.00 44.13 C ATOM 2198 C GLN A 133 2.071 10.871 -12.047 1.00 33.21 C ATOM 2199 O GLN A 133 3.139 10.532 -12.559 1.00 2.34 O ATOM 2200 CB GLN A 133 -0.101 10.198 -13.141 1.00 43.41 C ATOM 2201 CG GLN A 133 0.524 10.128 -14.535 1.00 24.23 C ATOM 2202 CD GLN A 133 1.148 8.773 -14.838 1.00 10.51 C ATOM 2203 OE1 GLN A 133 0.489 7.866 -15.330 1.00 40.14 O ATOM 2204 NE2 GLN A 133 2.426 8.628 -14.547 1.00 32.12 N ATOM 0 H GLN A 133 -0.792 10.229 -10.764 1.00 2.41 H new ATOM 0 HA GLN A 133 1.268 8.886 -12.120 1.00 44.13 H new ATOM 0 HB2 GLN A 133 -0.929 9.491 -13.090 1.00 43.41 H new ATOM 0 HB3 GLN A 133 -0.521 11.193 -12.992 1.00 43.41 H new ATOM 0 HG2 GLN A 133 -0.240 10.345 -15.281 1.00 24.23 H new ATOM 0 HG3 GLN A 133 1.287 10.902 -14.625 1.00 24.23 H new ATOM 0 HE21 GLN A 133 2.947 9.404 -14.138 1.00 32.12 H new ATOM 0 HE22 GLN A 133 2.893 7.740 -14.731 1.00 32.12 H new ATOM 2213 N ALA A 134 1.881 12.072 -11.502 1.00 13.33 N ATOM 2214 CA ALA A 134 2.946 13.082 -11.463 1.00 23.42 C ATOM 2215 C ALA A 134 4.123 12.633 -10.582 1.00 72.12 C ATOM 2216 O ALA A 134 5.286 12.831 -10.935 1.00 24.42 O ATOM 2217 CB ALA A 134 2.389 14.411 -10.970 1.00 22.31 C ATOM 0 H ALA A 134 1.002 12.372 -11.081 1.00 13.33 H new ATOM 0 HA ALA A 134 3.325 13.207 -12.477 1.00 23.42 H new ATOM 0 HB1 ALA A 134 3.187 15.153 -10.945 1.00 22.31 H new ATOM 0 HB2 ALA A 134 1.601 14.748 -11.644 1.00 22.31 H new ATOM 0 HB3 ALA A 134 1.979 14.285 -9.968 1.00 22.31 H new ATOM 2223 N ALA A 135 3.810 12.025 -9.439 1.00 43.33 N ATOM 2224 CA ALA A 135 4.829 11.501 -8.520 1.00 3.00 C ATOM 2225 C ALA A 135 5.711 10.454 -9.209 1.00 52.34 C ATOM 2226 O ALA A 135 6.938 10.571 -9.250 1.00 40.41 O ATOM 2227 CB ALA A 135 4.155 10.888 -7.294 1.00 12.44 C ATOM 0 H ALA A 135 2.851 11.880 -9.122 1.00 43.33 H new ATOM 0 HA ALA A 135 5.466 12.329 -8.210 1.00 3.00 H new ATOM 0 HB1 ALA A 135 4.916 10.501 -6.616 1.00 12.44 H new ATOM 0 HB2 ALA A 135 3.567 11.650 -6.783 1.00 12.44 H new ATOM 0 HB3 ALA A 135 3.500 10.075 -7.607 1.00 12.44 H new ATOM 2233 N ILE A 136 5.062 9.438 -9.762 1.00 14.32 N ATOM 2234 CA ILE A 136 5.752 8.352 -10.459 1.00 53.43 C ATOM 2235 C ILE A 136 6.549 8.876 -11.660 1.00 1.51 C ATOM 2236 O ILE A 136 7.681 8.456 -11.899 1.00 52.22 O ATOM 2237 CB ILE A 136 4.739 7.290 -10.940 1.00 2.13 C ATOM 2238 CG1 ILE A 136 3.880 6.818 -9.757 1.00 54.21 C ATOM 2239 CG2 ILE A 136 5.456 6.111 -11.600 1.00 63.44 C ATOM 2240 CD1 ILE A 136 2.661 6.027 -10.165 1.00 62.34 C ATOM 0 H ILE A 136 4.047 9.340 -9.742 1.00 14.32 H new ATOM 0 HA ILE A 136 6.447 7.899 -9.752 1.00 53.43 H new ATOM 0 HB ILE A 136 4.087 7.740 -11.689 1.00 2.13 H new ATOM 0 HG12 ILE A 136 4.494 6.206 -9.096 1.00 54.21 H new ATOM 0 HG13 ILE A 136 3.561 7.687 -9.182 1.00 54.21 H new ATOM 0 HG21 ILE A 136 4.721 5.377 -11.930 1.00 63.44 H new ATOM 0 HG22 ILE A 136 6.025 6.466 -12.459 1.00 63.44 H new ATOM 0 HG23 ILE A 136 6.133 5.649 -10.882 1.00 63.44 H new ATOM 0 HD11 ILE A 136 2.106 5.729 -9.275 1.00 62.34 H new ATOM 0 HD12 ILE A 136 2.024 6.642 -10.801 1.00 62.34 H new ATOM 0 HD13 ILE A 136 2.971 5.138 -10.714 1.00 62.34 H new ATOM 2252 N ASP A 137 5.952 9.802 -12.409 1.00 14.52 N ATOM 2253 CA ASP A 137 6.619 10.408 -13.561 1.00 0.10 C ATOM 2254 C ASP A 137 7.891 11.153 -13.118 1.00 43.52 C ATOM 2255 O ASP A 137 8.946 11.031 -13.743 1.00 22.14 O ATOM 2256 CB ASP A 137 5.657 11.360 -14.280 1.00 24.41 C ATOM 2257 CG ASP A 137 6.191 11.822 -15.623 1.00 40.35 C ATOM 2258 OD1 ASP A 137 6.249 10.990 -16.553 1.00 54.43 O ATOM 2259 OD2 ASP A 137 6.529 13.013 -15.761 1.00 13.53 O ATOM 0 H ASP A 137 5.008 10.149 -12.239 1.00 14.52 H new ATOM 0 HA ASP A 137 6.913 9.619 -14.253 1.00 0.10 H new ATOM 0 HB2 ASP A 137 4.699 10.861 -14.426 1.00 24.41 H new ATOM 0 HB3 ASP A 137 5.471 12.229 -13.648 1.00 24.41 H new ATOM 2264 N SER A 138 7.780 11.901 -12.020 1.00 70.32 N ATOM 2265 CA SER A 138 8.936 12.583 -11.416 1.00 4.42 C ATOM 2266 C SER A 138 10.031 11.578 -11.037 1.00 15.34 C ATOM 2267 O SER A 138 11.209 11.798 -11.311 1.00 12.33 O ATOM 2268 CB SER A 138 8.508 13.378 -10.171 1.00 1.54 C ATOM 2269 OG SER A 138 7.562 14.384 -10.499 1.00 61.55 O ATOM 0 H SER A 138 6.901 12.053 -11.526 1.00 70.32 H new ATOM 0 HA SER A 138 9.337 13.274 -12.158 1.00 4.42 H new ATOM 0 HB2 SER A 138 8.079 12.699 -9.434 1.00 1.54 H new ATOM 0 HB3 SER A 138 9.384 13.836 -9.711 1.00 1.54 H new ATOM 0 HG SER A 138 6.694 13.969 -10.683 1.00 61.55 H new ATOM 2275 N ASN A 139 9.628 10.463 -10.421 1.00 3.40 N ATOM 2276 CA ASN A 139 10.573 9.397 -10.053 1.00 44.04 C ATOM 2277 C ASN A 139 11.277 8.831 -11.295 1.00 71.22 C ATOM 2278 O ASN A 139 12.495 8.640 -11.298 1.00 12.33 O ATOM 2279 CB ASN A 139 9.856 8.263 -9.307 1.00 52.52 C ATOM 2280 CG ASN A 139 9.442 8.641 -7.893 1.00 21.33 C ATOM 2281 OD1 ASN A 139 9.102 9.897 -7.674 1.00 32.53 O flip ATOM 2282 ND2 ASN A 139 9.424 7.804 -7.001 1.00 50.45 N flip ATOM 0 H ASN A 139 8.659 10.272 -10.166 1.00 3.40 H new ATOM 0 HA ASN A 139 11.322 9.837 -9.394 1.00 44.04 H new ATOM 0 HB2 ASN A 139 8.971 7.969 -9.871 1.00 52.52 H new ATOM 0 HB3 ASN A 139 10.511 7.393 -9.266 1.00 52.52 H new ATOM 0 HD21 ASN A 139 9.692 6.840 -7.200 1.00 50.45 H new ATOM 0 HD22 ASN A 139 9.141 8.070 -6.058 1.00 50.45 H new ATOM 2289 N ARG A 140 10.501 8.570 -12.347 1.00 53.22 N ATOM 2290 CA ARG A 140 11.048 8.067 -13.615 1.00 64.33 C ATOM 2291 C ARG A 140 11.965 9.105 -14.280 1.00 33.30 C ATOM 2292 O ARG A 140 12.885 8.752 -15.019 1.00 54.30 O ATOM 2293 CB ARG A 140 9.915 7.691 -14.582 1.00 74.11 C ATOM 2294 CG ARG A 140 8.981 6.604 -14.061 1.00 1.33 C ATOM 2295 CD ARG A 140 7.919 6.227 -15.091 1.00 44.21 C ATOM 2296 NE ARG A 140 7.135 7.382 -15.537 1.00 32.03 N ATOM 2297 CZ ARG A 140 6.078 7.301 -16.302 1.00 74.24 C ATOM 2298 NH1 ARG A 140 5.651 6.155 -16.725 1.00 61.44 N ATOM 2299 NH2 ARG A 140 5.450 8.373 -16.656 1.00 5.34 N ATOM 0 H ARG A 140 9.489 8.698 -12.350 1.00 53.22 H new ATOM 0 HA ARG A 140 11.637 7.179 -13.386 1.00 64.33 H new ATOM 0 HB2 ARG A 140 9.329 8.583 -14.801 1.00 74.11 H new ATOM 0 HB3 ARG A 140 10.352 7.358 -15.523 1.00 74.11 H new ATOM 0 HG2 ARG A 140 9.563 5.720 -13.799 1.00 1.33 H new ATOM 0 HG3 ARG A 140 8.496 6.949 -13.148 1.00 1.33 H new ATOM 0 HD2 ARG A 140 8.401 5.765 -15.952 1.00 44.21 H new ATOM 0 HD3 ARG A 140 7.250 5.481 -14.662 1.00 44.21 H new ATOM 0 HE ARG A 140 7.433 8.308 -15.231 1.00 32.03 H new ATOM 0 HH11 ARG A 140 6.141 5.300 -16.462 1.00 61.44 H new ATOM 0 HH12 ARG A 140 4.825 6.107 -17.321 1.00 61.44 H new ATOM 0 HH21 ARG A 140 5.779 9.285 -16.339 1.00 5.34 H new ATOM 0 HH22 ARG A 140 4.626 8.307 -17.253 1.00 5.34 H new ATOM 2313 N ARG A 141 11.711 10.384 -14.008 1.00 1.04 N ATOM 2314 CA ARG A 141 12.498 11.475 -14.595 1.00 44.33 C ATOM 2315 C ARG A 141 13.861 11.631 -13.890 1.00 14.13 C ATOM 2316 O ARG A 141 14.670 12.489 -14.259 1.00 55.22 O ATOM 2317 CB ARG A 141 11.704 12.791 -14.514 1.00 45.42 C ATOM 2318 CG ARG A 141 12.285 13.908 -15.374 1.00 63.53 C ATOM 2319 CD ARG A 141 11.504 15.209 -15.240 1.00 2.45 C ATOM 2320 NE ARG A 141 11.973 16.210 -16.194 1.00 42.23 N ATOM 2321 CZ ARG A 141 12.588 17.315 -15.873 1.00 65.04 C ATOM 2322 NH1 ARG A 141 12.799 17.622 -14.632 1.00 3.03 N ATOM 2323 NH2 ARG A 141 12.996 18.117 -16.799 1.00 53.01 N ATOM 0 H ARG A 141 10.966 10.694 -13.384 1.00 1.04 H new ATOM 0 HA ARG A 141 12.691 11.231 -15.639 1.00 44.33 H new ATOM 0 HB2 ARG A 141 10.675 12.604 -14.822 1.00 45.42 H new ATOM 0 HB3 ARG A 141 11.671 13.123 -13.476 1.00 45.42 H new ATOM 0 HG2 ARG A 141 13.323 14.079 -15.090 1.00 63.53 H new ATOM 0 HG3 ARG A 141 12.288 13.595 -16.418 1.00 63.53 H new ATOM 0 HD2 ARG A 141 10.443 15.017 -15.403 1.00 2.45 H new ATOM 0 HD3 ARG A 141 11.606 15.594 -14.226 1.00 2.45 H new ATOM 0 HE ARG A 141 11.808 16.032 -17.185 1.00 42.23 H new ATOM 0 HH11 ARG A 141 12.483 16.996 -13.891 1.00 3.03 H new ATOM 0 HH12 ARG A 141 13.281 18.489 -14.396 1.00 3.03 H new ATOM 0 HH21 ARG A 141 12.837 17.886 -17.780 1.00 53.01 H new ATOM 0 HH22 ARG A 141 13.477 18.981 -16.550 1.00 53.01 H new