USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 721 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 77 THR OG1 : rot -82:sc= 0.171 USER MOD Set 1.2: A 79 ASN : amide:sc= -0.146 K(o=0.025,f=-2.2!) USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= 0.501 USER MOD Set 2.2: A 32 LYS NZ :NH3+ -157:sc= 0.233 (180deg=-0.0733) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0256) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.576 K(o=-0.58,f=-2.6!) USER MOD Single : A 30 SER OG : rot -37:sc= 0.475 USER MOD Single : A 38 THR OG1 : rot -157:sc= -0.103 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc=-0.00848 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= -0.0113 (180deg=-0.0369) USER MOD Single : A 53 MET CE :methyl -133:sc= -0.0219 (180deg=-1.05) USER MOD Single : A 54 ASN : amide:sc= -0.324 K(o=-0.32,f=-4.6!) USER MOD Single : A 61 TYR OH : rot 70:sc= -0.0324 USER MOD Single : A 63 SER OG : rot 69:sc= 0.252 USER MOD Single : A 66 ASN : amide:sc= -0.021 X(o=-0.021,f=-0.32) USER MOD Single : A 73 TYR OH : rot 99:sc= 0.45 USER MOD Single : A 74 TYR OH : rot 87:sc= 0.386 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -128:sc= -0.0971 USER MOD Single : A 88 LYS NZ :NH3+ 142:sc= -0.472 (180deg=-2.45!) USER MOD Single : A 91 ASN : amide:sc= -0.0542 K(o=-0.054,f=-1.7!) USER MOD Single : A 92 SER OG : rot -55:sc= 0.051 USER MOD Single : A 93 LYS NZ :NH3+ -155:sc= 0.893 (180deg=0.518) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.014) USER MOD Single : A 99 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.23) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN :FLIP amide:sc= -0.463 F(o=-1.3,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 322 N ASP A 20 -10.267 -12.119 -6.946 1.00 23.41 N ATOM 323 CA ASP A 20 -10.884 -10.818 -7.306 1.00 3.02 C ATOM 324 C ASP A 20 -11.537 -10.133 -6.075 1.00 32.12 C ATOM 325 O ASP A 20 -11.480 -8.907 -5.942 1.00 74.54 O ATOM 326 CB ASP A 20 -11.933 -11.023 -8.420 1.00 14.54 C ATOM 327 CG ASP A 20 -11.324 -11.635 -9.687 1.00 23.40 C ATOM 328 OD1 ASP A 20 -10.620 -10.914 -10.422 1.00 52.34 O ATOM 329 OD2 ASP A 20 -11.517 -12.841 -9.933 1.00 73.31 O ATOM 0 HA ASP A 20 -10.093 -10.161 -7.669 1.00 3.02 H new ATOM 0 HB2 ASP A 20 -12.728 -11.671 -8.052 1.00 14.54 H new ATOM 0 HB3 ASP A 20 -12.391 -10.065 -8.666 1.00 14.54 H new ATOM 334 N LYS A 21 -12.165 -10.939 -5.190 1.00 34.44 N ATOM 335 CA LYS A 21 -12.704 -10.439 -3.900 1.00 53.53 C ATOM 336 C LYS A 21 -11.584 -10.099 -2.895 1.00 15.32 C ATOM 337 O LYS A 21 -11.786 -9.232 -2.046 1.00 61.12 O ATOM 338 CB LYS A 21 -13.721 -11.433 -3.259 1.00 0.05 C ATOM 339 CG LYS A 21 -15.194 -11.149 -3.620 1.00 5.31 C ATOM 340 CD LYS A 21 -16.199 -11.969 -2.766 1.00 31.22 C ATOM 341 CE LYS A 21 -17.625 -11.386 -2.786 1.00 74.12 C ATOM 342 NZ LYS A 21 -18.134 -11.142 -4.162 1.00 10.12 N ATOM 0 H LYS A 21 -12.312 -11.937 -5.343 1.00 34.44 H new ATOM 0 HA LYS A 21 -13.238 -9.519 -4.136 1.00 53.53 H new ATOM 0 HB2 LYS A 21 -13.470 -12.446 -3.574 1.00 0.05 H new ATOM 0 HB3 LYS A 21 -13.611 -11.400 -2.175 1.00 0.05 H new ATOM 0 HG2 LYS A 21 -15.396 -10.086 -3.487 1.00 5.31 H new ATOM 0 HG3 LYS A 21 -15.354 -11.375 -4.674 1.00 5.31 H new ATOM 0 HD2 LYS A 21 -16.227 -12.995 -3.134 1.00 31.22 H new ATOM 0 HD3 LYS A 21 -15.844 -12.009 -1.736 1.00 31.22 H new ATOM 0 HE2 LYS A 21 -18.299 -12.071 -2.271 1.00 74.12 H new ATOM 0 HE3 LYS A 21 -17.636 -10.449 -2.229 1.00 74.12 H new ATOM 0 HZ1 LYS A 21 -19.135 -10.863 -4.118 1.00 10.12 H new ATOM 0 HZ2 LYS A 21 -17.582 -10.381 -4.606 1.00 10.12 H new ATOM 0 HZ3 LYS A 21 -18.041 -12.011 -4.726 1.00 10.12 H new ATOM 356 N LYS A 22 -10.425 -10.792 -2.972 1.00 20.42 N ATOM 357 CA LYS A 22 -9.229 -10.406 -2.179 1.00 1.51 C ATOM 358 C LYS A 22 -8.708 -9.033 -2.644 1.00 51.23 C ATOM 359 O LYS A 22 -8.412 -8.166 -1.829 1.00 52.03 O ATOM 360 CB LYS A 22 -8.078 -11.446 -2.275 1.00 40.20 C ATOM 361 CG LYS A 22 -6.815 -11.028 -1.473 1.00 22.43 C ATOM 362 CD LYS A 22 -5.661 -12.041 -1.561 1.00 31.33 C ATOM 363 CE LYS A 22 -4.481 -11.675 -0.633 1.00 52.32 C ATOM 364 NZ LYS A 22 -3.511 -12.789 -0.486 1.00 32.12 N ATOM 0 H LYS A 22 -10.290 -11.610 -3.566 1.00 20.42 H new ATOM 0 HA LYS A 22 -9.547 -10.362 -1.137 1.00 1.51 H new ATOM 0 HB2 LYS A 22 -8.434 -12.408 -1.907 1.00 40.20 H new ATOM 0 HB3 LYS A 22 -7.808 -11.585 -3.322 1.00 40.20 H new ATOM 0 HG2 LYS A 22 -6.467 -10.062 -1.839 1.00 22.43 H new ATOM 0 HG3 LYS A 22 -7.089 -10.893 -0.427 1.00 22.43 H new ATOM 0 HD2 LYS A 22 -6.031 -13.032 -1.299 1.00 31.33 H new ATOM 0 HD3 LYS A 22 -5.307 -12.095 -2.590 1.00 31.33 H new ATOM 0 HE2 LYS A 22 -3.967 -10.800 -1.031 1.00 52.32 H new ATOM 0 HE3 LYS A 22 -4.866 -11.400 0.349 1.00 52.32 H new ATOM 0 HZ1 LYS A 22 -2.738 -12.495 0.145 1.00 32.12 H new ATOM 0 HZ2 LYS A 22 -3.992 -13.617 -0.082 1.00 32.12 H new ATOM 0 HZ3 LYS A 22 -3.122 -13.036 -1.418 1.00 32.12 H new ATOM 378 N ARG A 23 -8.594 -8.876 -3.969 1.00 10.32 N ATOM 379 CA ARG A 23 -8.189 -7.613 -4.617 1.00 45.24 C ATOM 380 C ARG A 23 -9.119 -6.446 -4.198 1.00 32.40 C ATOM 381 O ARG A 23 -8.649 -5.396 -3.770 1.00 13.15 O ATOM 382 CB ARG A 23 -8.186 -7.824 -6.156 1.00 12.14 C ATOM 383 CG ARG A 23 -7.862 -6.576 -7.005 1.00 54.44 C ATOM 384 CD ARG A 23 -7.653 -6.903 -8.501 1.00 10.14 C ATOM 385 NE ARG A 23 -8.809 -7.586 -9.118 1.00 65.04 N ATOM 386 CZ ARG A 23 -9.287 -7.347 -10.327 1.00 63.20 C ATOM 387 NH1 ARG A 23 -8.789 -6.404 -11.080 1.00 21.10 N ATOM 388 NH2 ARG A 23 -10.254 -8.065 -10.778 1.00 10.23 N ATOM 0 H ARG A 23 -8.781 -9.628 -4.632 1.00 10.32 H new ATOM 0 HA ARG A 23 -7.185 -7.339 -4.293 1.00 45.24 H new ATOM 0 HB2 ARG A 23 -7.461 -8.601 -6.396 1.00 12.14 H new ATOM 0 HB3 ARG A 23 -9.165 -8.199 -6.454 1.00 12.14 H new ATOM 0 HG2 ARG A 23 -8.673 -5.855 -6.906 1.00 54.44 H new ATOM 0 HG3 ARG A 23 -6.963 -6.100 -6.613 1.00 54.44 H new ATOM 0 HD2 ARG A 23 -7.454 -5.979 -9.043 1.00 10.14 H new ATOM 0 HD3 ARG A 23 -6.769 -7.532 -8.608 1.00 10.14 H new ATOM 0 HE ARG A 23 -9.278 -8.303 -8.564 1.00 65.04 H new ATOM 0 HH11 ARG A 23 -8.015 -5.834 -10.739 1.00 21.10 H new ATOM 0 HH12 ARG A 23 -9.174 -6.237 -12.010 1.00 21.10 H new ATOM 0 HH21 ARG A 23 -10.646 -8.812 -10.204 1.00 10.23 H new ATOM 0 HH22 ARG A 23 -10.629 -7.888 -11.710 1.00 10.23 H new ATOM 402 N ALA A 24 -10.438 -6.681 -4.276 1.00 14.52 N ATOM 403 CA ALA A 24 -11.467 -5.707 -3.837 1.00 73.42 C ATOM 404 C ALA A 24 -11.371 -5.404 -2.317 1.00 13.05 C ATOM 405 O ALA A 24 -11.527 -4.255 -1.889 1.00 50.12 O ATOM 406 CB ALA A 24 -12.867 -6.236 -4.190 1.00 14.04 C ATOM 0 H ALA A 24 -10.828 -7.549 -4.644 1.00 14.52 H new ATOM 0 HA ALA A 24 -11.287 -4.770 -4.364 1.00 73.42 H new ATOM 0 HB1 ALA A 24 -13.620 -5.518 -3.866 1.00 14.04 H new ATOM 0 HB2 ALA A 24 -12.941 -6.378 -5.268 1.00 14.04 H new ATOM 0 HB3 ALA A 24 -13.034 -7.188 -3.687 1.00 14.04 H new ATOM 412 N ARG A 25 -11.110 -6.458 -1.520 1.00 32.13 N ATOM 413 CA ARG A 25 -10.974 -6.367 -0.047 1.00 64.34 C ATOM 414 C ARG A 25 -9.724 -5.551 0.369 1.00 33.45 C ATOM 415 O ARG A 25 -9.774 -4.797 1.333 1.00 51.05 O ATOM 416 CB ARG A 25 -10.919 -7.796 0.565 1.00 13.10 C ATOM 417 CG ARG A 25 -10.806 -7.850 2.104 1.00 0.22 C ATOM 418 CD ARG A 25 -10.740 -9.291 2.650 1.00 1.42 C ATOM 419 NE ARG A 25 -11.967 -10.063 2.363 1.00 31.44 N ATOM 420 CZ ARG A 25 -12.879 -10.412 3.252 1.00 54.01 C ATOM 421 NH1 ARG A 25 -12.786 -10.045 4.501 1.00 50.21 N ATOM 422 NH2 ARG A 25 -13.897 -11.117 2.884 1.00 51.20 N ATOM 0 H ARG A 25 -10.986 -7.405 -1.879 1.00 32.13 H new ATOM 0 HA ARG A 25 -11.846 -5.840 0.339 1.00 64.34 H new ATOM 0 HB2 ARG A 25 -11.816 -8.337 0.264 1.00 13.10 H new ATOM 0 HB3 ARG A 25 -10.068 -8.325 0.136 1.00 13.10 H new ATOM 0 HG2 ARG A 25 -9.914 -7.307 2.417 1.00 0.22 H new ATOM 0 HG3 ARG A 25 -11.662 -7.339 2.544 1.00 0.22 H new ATOM 0 HD2 ARG A 25 -9.882 -9.803 2.213 1.00 1.42 H new ATOM 0 HD3 ARG A 25 -10.578 -9.261 3.727 1.00 1.42 H new ATOM 0 HE ARG A 25 -12.123 -10.351 1.397 1.00 31.44 H new ATOM 0 HH11 ARG A 25 -11.997 -9.477 4.808 1.00 50.21 H new ATOM 0 HH12 ARG A 25 -13.503 -10.327 5.170 1.00 50.21 H new ATOM 0 HH21 ARG A 25 -13.994 -11.402 1.910 1.00 51.20 H new ATOM 0 HH22 ARG A 25 -14.603 -11.388 3.568 1.00 51.20 H new ATOM 436 N LEU A 26 -8.613 -5.708 -0.370 1.00 5.11 N ATOM 437 CA LEU A 26 -7.355 -4.969 -0.100 1.00 44.12 C ATOM 438 C LEU A 26 -7.481 -3.476 -0.506 1.00 35.05 C ATOM 439 O LEU A 26 -6.945 -2.604 0.181 1.00 21.21 O ATOM 440 CB LEU A 26 -6.152 -5.629 -0.821 1.00 73.12 C ATOM 441 CG LEU A 26 -5.749 -7.068 -0.364 1.00 22.43 C ATOM 442 CD1 LEU A 26 -4.601 -7.625 -1.235 1.00 1.23 C ATOM 443 CD2 LEU A 26 -5.372 -7.075 1.134 1.00 11.43 C ATOM 0 H LEU A 26 -8.555 -6.343 -1.166 1.00 5.11 H new ATOM 0 HA LEU A 26 -7.174 -5.014 0.974 1.00 44.12 H new ATOM 0 HB2 LEU A 26 -6.374 -5.663 -1.888 1.00 73.12 H new ATOM 0 HB3 LEU A 26 -5.285 -4.980 -0.696 1.00 73.12 H new ATOM 0 HG LEU A 26 -6.609 -7.724 -0.498 1.00 22.43 H new ATOM 0 HD11 LEU A 26 -4.340 -8.627 -0.896 1.00 1.23 H new ATOM 0 HD12 LEU A 26 -4.921 -7.666 -2.276 1.00 1.23 H new ATOM 0 HD13 LEU A 26 -3.730 -6.975 -1.149 1.00 1.23 H new ATOM 0 HD21 LEU A 26 -5.094 -8.085 1.435 1.00 11.43 H new ATOM 0 HD22 LEU A 26 -4.531 -6.403 1.301 1.00 11.43 H new ATOM 0 HD23 LEU A 26 -6.225 -6.742 1.725 1.00 11.43 H new ATOM 455 N ILE A 27 -8.186 -3.200 -1.632 1.00 74.33 N ATOM 456 CA ILE A 27 -8.555 -1.811 -2.036 1.00 34.20 C ATOM 457 C ILE A 27 -9.501 -1.158 -0.976 1.00 45.44 C ATOM 458 O ILE A 27 -9.462 0.055 -0.750 1.00 63.41 O ATOM 459 CB ILE A 27 -9.220 -1.769 -3.480 1.00 72.23 C ATOM 460 CG1 ILE A 27 -8.253 -2.370 -4.560 1.00 13.54 C ATOM 461 CG2 ILE A 27 -9.638 -0.324 -3.878 1.00 4.20 C ATOM 462 CD1 ILE A 27 -8.809 -2.456 -5.982 1.00 12.24 C ATOM 0 H ILE A 27 -8.512 -3.918 -2.279 1.00 74.33 H new ATOM 0 HA ILE A 27 -7.632 -1.233 -2.084 1.00 34.20 H new ATOM 0 HB ILE A 27 -10.121 -2.380 -3.438 1.00 72.23 H new ATOM 0 HG12 ILE A 27 -7.345 -1.768 -4.582 1.00 13.54 H new ATOM 0 HG13 ILE A 27 -7.963 -3.372 -4.243 1.00 13.54 H new ATOM 0 HG21 ILE A 27 -10.088 -0.336 -4.871 1.00 4.20 H new ATOM 0 HG22 ILE A 27 -10.360 0.058 -3.156 1.00 4.20 H new ATOM 0 HG23 ILE A 27 -8.759 0.320 -3.886 1.00 4.20 H new ATOM 0 HD11 ILE A 27 -8.055 -2.886 -6.642 1.00 12.24 H new ATOM 0 HD12 ILE A 27 -9.698 -3.086 -5.987 1.00 12.24 H new ATOM 0 HD13 ILE A 27 -9.070 -1.457 -6.332 1.00 12.24 H new ATOM 474 N TYR A 28 -10.335 -1.989 -0.323 1.00 44.20 N ATOM 475 CA TYR A 28 -11.209 -1.559 0.796 1.00 4.42 C ATOM 476 C TYR A 28 -10.383 -1.228 2.070 1.00 65.14 C ATOM 477 O TYR A 28 -10.606 -0.195 2.709 1.00 74.02 O ATOM 478 CB TYR A 28 -12.268 -2.659 1.089 1.00 51.10 C ATOM 479 CG TYR A 28 -13.105 -2.443 2.363 1.00 40.11 C ATOM 480 CD1 TYR A 28 -13.972 -1.352 2.485 1.00 30.15 C ATOM 481 CD2 TYR A 28 -13.014 -3.325 3.447 1.00 53.05 C ATOM 482 CE1 TYR A 28 -14.716 -1.154 3.637 1.00 52.12 C ATOM 483 CE2 TYR A 28 -13.758 -3.130 4.595 1.00 35.12 C ATOM 484 CZ TYR A 28 -14.608 -2.045 4.686 1.00 44.34 C ATOM 485 OH TYR A 28 -15.353 -1.850 5.834 1.00 2.14 O ATOM 0 H TYR A 28 -10.425 -2.979 -0.553 1.00 44.20 H new ATOM 0 HA TYR A 28 -11.722 -0.644 0.500 1.00 4.42 H new ATOM 0 HB2 TYR A 28 -12.944 -2.726 0.237 1.00 51.10 H new ATOM 0 HB3 TYR A 28 -11.758 -3.619 1.167 1.00 51.10 H new ATOM 0 HD1 TYR A 28 -14.063 -0.652 1.667 1.00 30.15 H new ATOM 0 HD2 TYR A 28 -12.349 -4.174 3.385 1.00 53.05 H new ATOM 0 HE1 TYR A 28 -15.379 -0.305 3.714 1.00 52.12 H new ATOM 0 HE2 TYR A 28 -13.675 -3.824 5.419 1.00 35.12 H new ATOM 0 HH TYR A 28 -15.161 -2.567 6.474 1.00 2.14 H new ATOM 495 N GLN A 29 -9.437 -2.117 2.423 1.00 41.52 N ATOM 496 CA GLN A 29 -8.551 -1.945 3.606 1.00 1.34 C ATOM 497 C GLN A 29 -7.589 -0.742 3.430 1.00 51.23 C ATOM 498 O GLN A 29 -7.211 -0.091 4.404 1.00 10.13 O ATOM 499 CB GLN A 29 -7.723 -3.238 3.851 1.00 21.03 C ATOM 500 CG GLN A 29 -8.541 -4.490 4.246 1.00 44.12 C ATOM 501 CD GLN A 29 -7.714 -5.794 4.304 1.00 72.11 C ATOM 502 OE1 GLN A 29 -8.225 -6.875 4.032 1.00 53.30 O ATOM 503 NE2 GLN A 29 -6.444 -5.713 4.682 1.00 4.41 N ATOM 0 H GLN A 29 -9.259 -2.976 1.902 1.00 41.52 H new ATOM 0 HA GLN A 29 -9.190 -1.749 4.467 1.00 1.34 H new ATOM 0 HB2 GLN A 29 -7.160 -3.465 2.946 1.00 21.03 H new ATOM 0 HB3 GLN A 29 -6.995 -3.038 4.637 1.00 21.03 H new ATOM 0 HG2 GLN A 29 -8.998 -4.319 5.221 1.00 44.12 H new ATOM 0 HG3 GLN A 29 -9.354 -4.620 3.531 1.00 44.12 H new ATOM 0 HE21 GLN A 29 -6.035 -4.805 4.905 1.00 4.41 H new ATOM 0 HE22 GLN A 29 -5.877 -6.558 4.750 1.00 4.41 H new ATOM 512 N SER A 30 -7.204 -0.471 2.176 1.00 23.53 N ATOM 513 CA SER A 30 -6.240 0.597 1.835 1.00 11.10 C ATOM 514 C SER A 30 -6.858 1.997 2.002 1.00 23.55 C ATOM 515 O SER A 30 -6.238 2.905 2.570 1.00 65.31 O ATOM 516 CB SER A 30 -5.756 0.415 0.388 1.00 72.53 C ATOM 517 OG SER A 30 -6.778 0.682 -0.553 1.00 71.02 O ATOM 0 H SER A 30 -7.549 -0.984 1.365 1.00 23.53 H new ATOM 0 HA SER A 30 -5.398 0.519 2.522 1.00 11.10 H new ATOM 0 HB2 SER A 30 -4.911 1.078 0.203 1.00 72.53 H new ATOM 0 HB3 SER A 30 -5.396 -0.605 0.252 1.00 72.53 H new ATOM 0 HG SER A 30 -7.635 0.356 -0.207 1.00 71.02 H new ATOM 523 N ARG A 31 -8.099 2.145 1.506 1.00 21.32 N ATOM 524 CA ARG A 31 -8.881 3.395 1.617 1.00 5.35 C ATOM 525 C ARG A 31 -9.513 3.560 3.018 1.00 23.33 C ATOM 526 O ARG A 31 -10.220 4.541 3.269 1.00 53.42 O ATOM 527 CB ARG A 31 -9.981 3.423 0.528 1.00 71.00 C ATOM 528 CG ARG A 31 -11.123 2.395 0.709 1.00 30.00 C ATOM 529 CD ARG A 31 -12.131 2.448 -0.449 1.00 4.53 C ATOM 530 NE ARG A 31 -12.615 3.826 -0.668 1.00 21.32 N ATOM 531 CZ ARG A 31 -12.937 4.356 -1.827 1.00 61.23 C ATOM 532 NH1 ARG A 31 -12.950 3.648 -2.916 1.00 63.11 N ATOM 533 NH2 ARG A 31 -13.246 5.604 -1.884 1.00 32.43 N ATOM 0 H ARG A 31 -8.592 1.400 1.014 1.00 21.32 H new ATOM 0 HA ARG A 31 -8.196 4.230 1.469 1.00 5.35 H new ATOM 0 HB2 ARG A 31 -10.416 4.422 0.501 1.00 71.00 H new ATOM 0 HB3 ARG A 31 -9.513 3.253 -0.441 1.00 71.00 H new ATOM 0 HG2 ARG A 31 -10.701 1.392 0.777 1.00 30.00 H new ATOM 0 HG3 ARG A 31 -11.640 2.588 1.649 1.00 30.00 H new ATOM 0 HD2 ARG A 31 -11.664 2.074 -1.360 1.00 4.53 H new ATOM 0 HD3 ARG A 31 -12.975 1.793 -0.232 1.00 4.53 H new ATOM 0 HE ARG A 31 -12.708 4.421 0.155 1.00 21.32 H new ATOM 0 HH11 ARG A 31 -12.707 2.658 -2.884 1.00 63.11 H new ATOM 0 HH12 ARG A 31 -13.203 4.082 -3.804 1.00 63.11 H new ATOM 0 HH21 ARG A 31 -13.239 6.170 -1.036 1.00 32.43 H new ATOM 0 HH22 ARG A 31 -13.498 6.027 -2.777 1.00 32.43 H new ATOM 547 N LYS A 32 -9.289 2.572 3.903 1.00 40.44 N ATOM 548 CA LYS A 32 -9.740 2.627 5.299 1.00 23.41 C ATOM 549 C LYS A 32 -8.493 2.770 6.212 1.00 75.02 C ATOM 550 O LYS A 32 -7.728 1.816 6.378 1.00 71.12 O ATOM 551 CB LYS A 32 -10.520 1.314 5.619 1.00 12.41 C ATOM 552 CG LYS A 32 -11.679 1.470 6.621 1.00 5.41 C ATOM 553 CD LYS A 32 -12.299 0.107 6.988 1.00 74.45 C ATOM 554 CE LYS A 32 -13.602 0.230 7.794 1.00 4.24 C ATOM 555 NZ LYS A 32 -14.703 0.802 6.974 1.00 42.11 N ATOM 0 H LYS A 32 -8.790 1.714 3.667 1.00 40.44 H new ATOM 0 HA LYS A 32 -10.400 3.477 5.469 1.00 23.41 H new ATOM 0 HB2 LYS A 32 -10.917 0.910 4.688 1.00 12.41 H new ATOM 0 HB3 LYS A 32 -9.817 0.579 6.012 1.00 12.41 H new ATOM 0 HG2 LYS A 32 -11.316 1.960 7.524 1.00 5.41 H new ATOM 0 HG3 LYS A 32 -12.446 2.116 6.194 1.00 5.41 H new ATOM 0 HD2 LYS A 32 -12.497 -0.453 6.074 1.00 74.45 H new ATOM 0 HD3 LYS A 32 -11.576 -0.470 7.565 1.00 74.45 H new ATOM 0 HE2 LYS A 32 -13.896 -0.753 8.163 1.00 4.24 H new ATOM 0 HE3 LYS A 32 -13.432 0.861 8.667 1.00 4.24 H new ATOM 0 HZ1 LYS A 32 -15.416 1.228 7.599 1.00 42.11 H new ATOM 0 HZ2 LYS A 32 -14.320 1.531 6.339 1.00 42.11 H new ATOM 0 HZ3 LYS A 32 -15.144 0.048 6.410 1.00 42.11 H new ATOM 569 N ARG A 33 -8.327 3.948 6.829 1.00 22.25 N ATOM 570 CA ARG A 33 -7.167 4.283 7.706 1.00 4.52 C ATOM 571 C ARG A 33 -7.605 5.299 8.804 1.00 73.44 C ATOM 572 O ARG A 33 -8.797 5.370 9.149 1.00 2.31 O ATOM 573 CB ARG A 33 -5.967 4.839 6.846 1.00 22.44 C ATOM 574 CG ARG A 33 -5.128 3.758 6.111 1.00 2.12 C ATOM 575 CD ARG A 33 -4.511 2.749 7.099 1.00 4.41 C ATOM 576 NE ARG A 33 -3.736 1.689 6.451 1.00 74.40 N ATOM 577 CZ ARG A 33 -2.774 0.991 7.029 1.00 24.04 C ATOM 578 NH1 ARG A 33 -2.375 1.253 8.243 1.00 21.21 N ATOM 579 NH2 ARG A 33 -2.216 0.026 6.386 1.00 75.24 N ATOM 0 H ARG A 33 -8.996 4.713 6.740 1.00 22.25 H new ATOM 0 HA ARG A 33 -6.821 3.377 8.204 1.00 4.52 H new ATOM 0 HB2 ARG A 33 -6.362 5.535 6.106 1.00 22.44 H new ATOM 0 HB3 ARG A 33 -5.306 5.409 7.499 1.00 22.44 H new ATOM 0 HG2 ARG A 33 -5.760 3.229 5.397 1.00 2.12 H new ATOM 0 HG3 ARG A 33 -4.335 4.239 5.539 1.00 2.12 H new ATOM 0 HD2 ARG A 33 -3.866 3.284 7.796 1.00 4.41 H new ATOM 0 HD3 ARG A 33 -5.309 2.296 7.687 1.00 4.41 H new ATOM 0 HE ARG A 33 -3.955 1.473 5.479 1.00 74.40 H new ATOM 0 HH11 ARG A 33 -2.808 2.012 8.769 1.00 21.21 H new ATOM 0 HH12 ARG A 33 -1.630 0.699 8.666 1.00 21.21 H new ATOM 0 HH21 ARG A 33 -2.517 -0.196 5.437 1.00 75.24 H new ATOM 0 HH22 ARG A 33 -1.473 -0.517 6.825 1.00 75.24 H new ATOM 593 N GLY A 34 -6.643 6.053 9.382 1.00 4.41 N ATOM 594 CA GLY A 34 -6.936 7.060 10.425 1.00 52.33 C ATOM 595 C GLY A 34 -6.479 8.483 10.072 1.00 3.23 C ATOM 596 O GLY A 34 -6.636 9.401 10.885 1.00 30.43 O ATOM 0 H GLY A 34 -5.654 5.982 9.142 1.00 4.41 H new ATOM 0 HA2 GLY A 34 -8.010 7.071 10.612 1.00 52.33 H new ATOM 0 HA3 GLY A 34 -6.454 6.755 11.354 1.00 52.33 H new ATOM 600 N ILE A 35 -5.929 8.672 8.857 1.00 41.11 N ATOM 601 CA ILE A 35 -5.355 9.966 8.394 1.00 2.22 C ATOM 602 C ILE A 35 -5.580 10.132 6.875 1.00 2.12 C ATOM 603 O ILE A 35 -5.095 9.313 6.089 1.00 14.33 O ATOM 604 CB ILE A 35 -3.807 10.087 8.717 1.00 31.12 C ATOM 605 CG1 ILE A 35 -3.072 8.737 8.426 1.00 25.44 C ATOM 606 CG2 ILE A 35 -3.562 10.570 10.166 1.00 74.21 C ATOM 607 CD1 ILE A 35 -1.572 8.780 8.597 1.00 0.52 C ATOM 0 H ILE A 35 -5.866 7.931 8.159 1.00 41.11 H new ATOM 0 HA ILE A 35 -5.870 10.759 8.937 1.00 2.22 H new ATOM 0 HB ILE A 35 -3.387 10.845 8.056 1.00 31.12 H new ATOM 0 HG12 ILE A 35 -3.477 7.970 9.087 1.00 25.44 H new ATOM 0 HG13 ILE A 35 -3.298 8.430 7.405 1.00 25.44 H new ATOM 0 HG21 ILE A 35 -2.490 10.640 10.350 1.00 74.21 H new ATOM 0 HG22 ILE A 35 -4.019 11.550 10.305 1.00 74.21 H new ATOM 0 HG23 ILE A 35 -4.004 9.861 10.866 1.00 74.21 H new ATOM 0 HD11 ILE A 35 -1.152 7.799 8.374 1.00 0.52 H new ATOM 0 HD12 ILE A 35 -1.149 9.519 7.917 1.00 0.52 H new ATOM 0 HD13 ILE A 35 -1.331 9.052 9.624 1.00 0.52 H new ATOM 619 N LEU A 36 -6.289 11.208 6.477 1.00 32.21 N ATOM 620 CA LEU A 36 -6.758 11.419 5.081 1.00 43.24 C ATOM 621 C LEU A 36 -5.607 11.366 4.031 1.00 22.00 C ATOM 622 O LEU A 36 -5.829 10.999 2.872 1.00 11.02 O ATOM 623 CB LEU A 36 -7.522 12.768 4.985 1.00 34.23 C ATOM 624 CG LEU A 36 -8.222 13.071 3.621 1.00 50.34 C ATOM 625 CD1 LEU A 36 -9.279 11.997 3.276 1.00 5.14 C ATOM 626 CD2 LEU A 36 -8.837 14.490 3.604 1.00 33.35 C ATOM 0 H LEU A 36 -6.556 11.960 7.112 1.00 32.21 H new ATOM 0 HA LEU A 36 -7.427 10.594 4.839 1.00 43.24 H new ATOM 0 HB2 LEU A 36 -8.278 12.790 5.770 1.00 34.23 H new ATOM 0 HB3 LEU A 36 -6.820 13.575 5.196 1.00 34.23 H new ATOM 0 HG LEU A 36 -7.455 13.036 2.848 1.00 50.34 H new ATOM 0 HD11 LEU A 36 -9.746 12.239 2.321 1.00 5.14 H new ATOM 0 HD12 LEU A 36 -8.798 11.022 3.207 1.00 5.14 H new ATOM 0 HD13 LEU A 36 -10.040 11.972 4.056 1.00 5.14 H new ATOM 0 HD21 LEU A 36 -9.316 14.668 2.641 1.00 33.35 H new ATOM 0 HD22 LEU A 36 -9.578 14.575 4.399 1.00 33.35 H new ATOM 0 HD23 LEU A 36 -8.051 15.229 3.760 1.00 33.35 H new ATOM 638 N GLU A 37 -4.379 11.718 4.458 1.00 21.15 N ATOM 639 CA GLU A 37 -3.175 11.638 3.595 1.00 35.53 C ATOM 640 C GLU A 37 -2.867 10.176 3.175 1.00 3.43 C ATOM 641 O GLU A 37 -2.715 9.891 1.980 1.00 64.53 O ATOM 642 CB GLU A 37 -1.955 12.277 4.310 1.00 71.01 C ATOM 643 CG GLU A 37 -2.091 13.794 4.543 1.00 22.24 C ATOM 644 CD GLU A 37 -0.867 14.417 5.244 1.00 24.24 C ATOM 645 OE1 GLU A 37 -0.809 14.401 6.488 1.00 51.53 O ATOM 646 OE2 GLU A 37 0.042 14.924 4.551 1.00 25.21 O ATOM 0 H GLU A 37 -4.190 12.063 5.399 1.00 21.15 H new ATOM 0 HA GLU A 37 -3.379 12.200 2.684 1.00 35.53 H new ATOM 0 HB2 GLU A 37 -1.810 11.783 5.271 1.00 71.01 H new ATOM 0 HB3 GLU A 37 -1.060 12.089 3.717 1.00 71.01 H new ATOM 0 HG2 GLU A 37 -2.243 14.289 3.584 1.00 22.24 H new ATOM 0 HG3 GLU A 37 -2.980 13.984 5.144 1.00 22.24 H new ATOM 653 N THR A 38 -2.788 9.260 4.163 1.00 64.20 N ATOM 654 CA THR A 38 -2.528 7.815 3.905 1.00 61.24 C ATOM 655 C THR A 38 -3.778 7.099 3.317 1.00 33.01 C ATOM 656 O THR A 38 -3.633 6.153 2.535 1.00 32.02 O ATOM 657 CB THR A 38 -2.018 7.081 5.192 1.00 31.40 C ATOM 658 OG1 THR A 38 -0.839 7.743 5.678 1.00 74.11 O ATOM 659 CG2 THR A 38 -1.686 5.589 4.956 1.00 44.24 C ATOM 0 H THR A 38 -2.900 9.489 5.151 1.00 64.20 H new ATOM 0 HA THR A 38 -1.737 7.766 3.157 1.00 61.24 H new ATOM 0 HB THR A 38 -2.829 7.122 5.919 1.00 31.40 H new ATOM 0 HG1 THR A 38 -0.316 7.120 6.224 1.00 74.11 H new ATOM 0 HG21 THR A 38 -1.339 5.142 5.887 1.00 44.24 H new ATOM 0 HG22 THR A 38 -2.580 5.067 4.614 1.00 44.24 H new ATOM 0 HG23 THR A 38 -0.905 5.505 4.200 1.00 44.24 H new ATOM 667 N ASP A 39 -5.001 7.555 3.697 1.00 23.34 N ATOM 668 CA ASP A 39 -6.271 7.067 3.089 1.00 50.24 C ATOM 669 C ASP A 39 -6.249 7.231 1.545 1.00 41.25 C ATOM 670 O ASP A 39 -6.423 6.262 0.817 1.00 2.40 O ATOM 671 CB ASP A 39 -7.511 7.807 3.685 1.00 3.31 C ATOM 672 CG ASP A 39 -7.954 7.262 5.059 1.00 30.25 C ATOM 673 OD1 ASP A 39 -8.719 6.281 5.091 1.00 63.33 O ATOM 674 OD2 ASP A 39 -7.549 7.803 6.105 1.00 72.45 O ATOM 0 H ASP A 39 -5.136 8.260 4.422 1.00 23.34 H new ATOM 0 HA ASP A 39 -6.356 6.007 3.328 1.00 50.24 H new ATOM 0 HB2 ASP A 39 -7.279 8.868 3.782 1.00 3.31 H new ATOM 0 HB3 ASP A 39 -8.343 7.725 2.986 1.00 3.31 H new ATOM 679 N LEU A 40 -5.991 8.468 1.073 1.00 32.44 N ATOM 680 CA LEU A 40 -5.944 8.792 -0.378 1.00 24.12 C ATOM 681 C LEU A 40 -4.689 8.191 -1.075 1.00 34.54 C ATOM 682 O LEU A 40 -4.759 7.803 -2.249 1.00 40.31 O ATOM 683 CB LEU A 40 -6.002 10.334 -0.588 1.00 72.34 C ATOM 684 CG LEU A 40 -7.312 11.043 -0.103 1.00 24.21 C ATOM 685 CD1 LEU A 40 -7.241 12.574 -0.313 1.00 11.32 C ATOM 686 CD2 LEU A 40 -8.562 10.441 -0.786 1.00 14.24 C ATOM 0 H LEU A 40 -5.810 9.269 1.678 1.00 32.44 H new ATOM 0 HA LEU A 40 -6.817 8.335 -0.843 1.00 24.12 H new ATOM 0 HB2 LEU A 40 -5.155 10.784 -0.069 1.00 72.34 H new ATOM 0 HB3 LEU A 40 -5.872 10.541 -1.650 1.00 72.34 H new ATOM 0 HG LEU A 40 -7.401 10.864 0.969 1.00 24.21 H new ATOM 0 HD11 LEU A 40 -8.167 13.032 0.035 1.00 11.32 H new ATOM 0 HD12 LEU A 40 -6.401 12.980 0.251 1.00 11.32 H new ATOM 0 HD13 LEU A 40 -7.105 12.790 -1.373 1.00 11.32 H new ATOM 0 HD21 LEU A 40 -9.455 10.954 -0.428 1.00 14.24 H new ATOM 0 HD22 LEU A 40 -8.481 10.564 -1.866 1.00 14.24 H new ATOM 0 HD23 LEU A 40 -8.633 9.380 -0.546 1.00 14.24 H new ATOM 698 N LEU A 41 -3.556 8.117 -0.338 1.00 3.40 N ATOM 699 CA LEU A 41 -2.289 7.506 -0.836 1.00 3.11 C ATOM 700 C LEU A 41 -2.504 6.024 -1.229 1.00 50.05 C ATOM 701 O LEU A 41 -2.301 5.641 -2.385 1.00 52.32 O ATOM 702 CB LEU A 41 -1.178 7.612 0.256 1.00 21.24 C ATOM 703 CG LEU A 41 0.198 6.925 -0.055 1.00 52.24 C ATOM 704 CD1 LEU A 41 0.907 7.566 -1.272 1.00 73.45 C ATOM 705 CD2 LEU A 41 1.111 6.917 1.198 1.00 54.52 C ATOM 0 H LEU A 41 -3.488 8.476 0.614 1.00 3.40 H new ATOM 0 HA LEU A 41 -1.974 8.053 -1.724 1.00 3.11 H new ATOM 0 HB2 LEU A 41 -0.993 8.669 0.448 1.00 21.24 H new ATOM 0 HB3 LEU A 41 -1.569 7.184 1.179 1.00 21.24 H new ATOM 0 HG LEU A 41 -0.010 5.889 -0.324 1.00 52.24 H new ATOM 0 HD11 LEU A 41 1.855 7.058 -1.450 1.00 73.45 H new ATOM 0 HD12 LEU A 41 0.273 7.471 -2.154 1.00 73.45 H new ATOM 0 HD13 LEU A 41 1.093 8.621 -1.071 1.00 73.45 H new ATOM 0 HD21 LEU A 41 2.058 6.435 0.955 1.00 54.52 H new ATOM 0 HD22 LEU A 41 1.297 7.942 1.519 1.00 54.52 H new ATOM 0 HD23 LEU A 41 0.621 6.368 2.002 1.00 54.52 H new ATOM 717 N LEU A 42 -2.957 5.218 -0.252 1.00 41.54 N ATOM 718 CA LEU A 42 -3.177 3.772 -0.434 1.00 73.20 C ATOM 719 C LEU A 42 -4.444 3.463 -1.272 1.00 74.24 C ATOM 720 O LEU A 42 -4.489 2.433 -1.930 1.00 21.12 O ATOM 721 CB LEU A 42 -3.246 3.063 0.947 1.00 23.44 C ATOM 722 CG LEU A 42 -1.916 3.005 1.765 1.00 63.05 C ATOM 723 CD1 LEU A 42 -2.137 2.330 3.140 1.00 41.32 C ATOM 724 CD2 LEU A 42 -0.799 2.294 0.961 1.00 0.51 C ATOM 0 H LEU A 42 -3.181 5.551 0.686 1.00 41.54 H new ATOM 0 HA LEU A 42 -2.328 3.384 -0.996 1.00 73.20 H new ATOM 0 HB2 LEU A 42 -3.998 3.568 1.553 1.00 23.44 H new ATOM 0 HB3 LEU A 42 -3.595 2.043 0.790 1.00 23.44 H new ATOM 0 HG LEU A 42 -1.590 4.029 1.949 1.00 63.05 H new ATOM 0 HD11 LEU A 42 -1.195 2.303 3.688 1.00 41.32 H new ATOM 0 HD12 LEU A 42 -2.872 2.898 3.710 1.00 41.32 H new ATOM 0 HD13 LEU A 42 -2.500 1.313 2.992 1.00 41.32 H new ATOM 0 HD21 LEU A 42 0.115 2.268 1.554 1.00 0.51 H new ATOM 0 HD22 LEU A 42 -1.110 1.276 0.728 1.00 0.51 H new ATOM 0 HD23 LEU A 42 -0.615 2.838 0.034 1.00 0.51 H new ATOM 736 N SER A 43 -5.471 4.342 -1.233 1.00 50.40 N ATOM 737 CA SER A 43 -6.712 4.168 -2.055 1.00 41.22 C ATOM 738 C SER A 43 -6.401 4.266 -3.557 1.00 61.44 C ATOM 739 O SER A 43 -6.761 3.376 -4.341 1.00 34.51 O ATOM 740 CB SER A 43 -7.785 5.223 -1.702 1.00 61.42 C ATOM 741 OG SER A 43 -8.978 5.038 -2.458 1.00 60.34 O ATOM 0 H SER A 43 -5.475 5.177 -0.648 1.00 50.40 H new ATOM 0 HA SER A 43 -7.099 3.175 -1.824 1.00 41.22 H new ATOM 0 HB2 SER A 43 -8.016 5.165 -0.638 1.00 61.42 H new ATOM 0 HB3 SER A 43 -7.388 6.221 -1.888 1.00 61.42 H new ATOM 0 HG SER A 43 -9.634 5.722 -2.207 1.00 60.34 H new ATOM 747 N GLY A 44 -5.734 5.372 -3.939 1.00 40.04 N ATOM 748 CA GLY A 44 -5.319 5.604 -5.329 1.00 71.11 C ATOM 749 C GLY A 44 -4.313 4.562 -5.824 1.00 2.44 C ATOM 750 O GLY A 44 -4.385 4.114 -6.970 1.00 12.13 O ATOM 0 H GLY A 44 -5.472 6.120 -3.298 1.00 40.04 H new ATOM 0 HA2 GLY A 44 -6.198 5.590 -5.974 1.00 71.11 H new ATOM 0 HA3 GLY A 44 -4.878 6.597 -5.412 1.00 71.11 H new ATOM 754 N PHE A 45 -3.372 4.189 -4.935 1.00 65.00 N ATOM 755 CA PHE A 45 -2.370 3.134 -5.199 1.00 63.52 C ATOM 756 C PHE A 45 -3.048 1.769 -5.441 1.00 15.32 C ATOM 757 O PHE A 45 -2.687 1.052 -6.356 1.00 71.21 O ATOM 758 CB PHE A 45 -1.377 3.027 -4.008 1.00 30.40 C ATOM 759 CG PHE A 45 -0.217 2.052 -4.230 1.00 65.21 C ATOM 760 CD1 PHE A 45 0.929 2.455 -4.899 1.00 62.21 C ATOM 761 CD2 PHE A 45 -0.279 0.732 -3.782 1.00 15.31 C ATOM 762 CE1 PHE A 45 1.973 1.578 -5.109 1.00 53.40 C ATOM 763 CE2 PHE A 45 0.771 -0.143 -3.995 1.00 74.44 C ATOM 764 CZ PHE A 45 1.895 0.281 -4.660 1.00 75.32 C ATOM 0 H PHE A 45 -3.284 4.611 -4.011 1.00 65.00 H new ATOM 0 HA PHE A 45 -1.823 3.409 -6.101 1.00 63.52 H new ATOM 0 HB2 PHE A 45 -0.968 4.016 -3.803 1.00 30.40 H new ATOM 0 HB3 PHE A 45 -1.928 2.719 -3.119 1.00 30.40 H new ATOM 0 HD1 PHE A 45 1.005 3.470 -5.261 1.00 62.21 H new ATOM 0 HD2 PHE A 45 -1.160 0.388 -3.261 1.00 15.31 H new ATOM 0 HE1 PHE A 45 2.858 1.913 -5.630 1.00 53.40 H new ATOM 0 HE2 PHE A 45 0.707 -1.160 -3.638 1.00 74.44 H new ATOM 0 HZ PHE A 45 2.714 -0.402 -4.830 1.00 75.32 H new ATOM 774 N ALA A 46 -4.031 1.431 -4.604 1.00 54.33 N ATOM 775 CA ALA A 46 -4.692 0.115 -4.641 1.00 30.43 C ATOM 776 C ALA A 46 -5.575 -0.075 -5.892 1.00 72.03 C ATOM 777 O ALA A 46 -5.482 -1.097 -6.577 1.00 13.23 O ATOM 778 CB ALA A 46 -5.500 -0.119 -3.367 1.00 44.31 C ATOM 0 H ALA A 46 -4.393 2.055 -3.883 1.00 54.33 H new ATOM 0 HA ALA A 46 -3.901 -0.633 -4.700 1.00 30.43 H new ATOM 0 HB1 ALA A 46 -5.980 -1.096 -3.415 1.00 44.31 H new ATOM 0 HB2 ALA A 46 -4.836 -0.083 -2.503 1.00 44.31 H new ATOM 0 HB3 ALA A 46 -6.262 0.655 -3.272 1.00 44.31 H new ATOM 784 N ALA A 47 -6.405 0.931 -6.197 1.00 53.52 N ATOM 785 CA ALA A 47 -7.328 0.893 -7.362 1.00 30.23 C ATOM 786 C ALA A 47 -6.565 0.830 -8.713 1.00 73.43 C ATOM 787 O ALA A 47 -7.080 0.319 -9.710 1.00 1.11 O ATOM 788 CB ALA A 47 -8.256 2.114 -7.323 1.00 34.13 C ATOM 0 H ALA A 47 -6.463 1.792 -5.654 1.00 53.52 H new ATOM 0 HA ALA A 47 -7.920 -0.019 -7.291 1.00 30.23 H new ATOM 0 HB1 ALA A 47 -8.932 2.085 -8.178 1.00 34.13 H new ATOM 0 HB2 ALA A 47 -8.837 2.100 -6.401 1.00 34.13 H new ATOM 0 HB3 ALA A 47 -7.660 3.026 -7.363 1.00 34.13 H new ATOM 794 N LYS A 48 -5.332 1.350 -8.701 1.00 11.20 N ATOM 795 CA LYS A 48 -4.457 1.447 -9.884 1.00 71.14 C ATOM 796 C LYS A 48 -3.558 0.183 -10.036 1.00 43.23 C ATOM 797 O LYS A 48 -3.558 -0.484 -11.078 1.00 10.02 O ATOM 798 CB LYS A 48 -3.588 2.717 -9.708 1.00 21.14 C ATOM 799 CG LYS A 48 -2.813 3.176 -10.955 1.00 52.50 C ATOM 800 CD LYS A 48 -2.031 4.482 -10.693 1.00 1.10 C ATOM 801 CE LYS A 48 -1.479 5.113 -11.975 1.00 65.03 C ATOM 802 NZ LYS A 48 -0.505 4.230 -12.678 1.00 12.34 N ATOM 0 H LYS A 48 -4.903 1.723 -7.854 1.00 11.20 H new ATOM 0 HA LYS A 48 -5.060 1.510 -10.790 1.00 71.14 H new ATOM 0 HB2 LYS A 48 -4.233 3.534 -9.383 1.00 21.14 H new ATOM 0 HB3 LYS A 48 -2.873 2.537 -8.905 1.00 21.14 H new ATOM 0 HG2 LYS A 48 -2.120 2.392 -11.262 1.00 52.50 H new ATOM 0 HG3 LYS A 48 -3.509 3.328 -11.780 1.00 52.50 H new ATOM 0 HD2 LYS A 48 -2.685 5.197 -10.194 1.00 1.10 H new ATOM 0 HD3 LYS A 48 -1.206 4.275 -10.011 1.00 1.10 H new ATOM 0 HE2 LYS A 48 -2.306 5.343 -12.647 1.00 65.03 H new ATOM 0 HE3 LYS A 48 -0.995 6.059 -11.730 1.00 65.03 H new ATOM 0 HZ1 LYS A 48 -0.163 4.705 -13.538 1.00 12.34 H new ATOM 0 HZ2 LYS A 48 0.299 4.031 -12.050 1.00 12.34 H new ATOM 0 HZ3 LYS A 48 -0.971 3.337 -12.938 1.00 12.34 H new ATOM 816 N TYR A 49 -2.805 -0.134 -8.964 1.00 31.03 N ATOM 817 CA TYR A 49 -1.757 -1.185 -8.961 1.00 2.41 C ATOM 818 C TYR A 49 -2.312 -2.617 -8.777 1.00 61.14 C ATOM 819 O TYR A 49 -1.850 -3.519 -9.453 1.00 20.50 O ATOM 820 CB TYR A 49 -0.682 -0.883 -7.880 1.00 34.45 C ATOM 821 CG TYR A 49 0.296 0.243 -8.251 1.00 32.54 C ATOM 822 CD1 TYR A 49 -0.127 1.570 -8.355 1.00 70.24 C ATOM 823 CD2 TYR A 49 1.651 -0.025 -8.487 1.00 12.30 C ATOM 824 CE1 TYR A 49 0.756 2.584 -8.674 1.00 74.54 C ATOM 825 CE2 TYR A 49 2.535 0.988 -8.809 1.00 34.22 C ATOM 826 CZ TYR A 49 2.084 2.289 -8.902 1.00 14.32 C ATOM 827 OH TYR A 49 2.967 3.301 -9.206 1.00 71.22 O ATOM 0 H TYR A 49 -2.905 0.335 -8.064 1.00 31.03 H new ATOM 0 HA TYR A 49 -1.302 -1.157 -9.951 1.00 2.41 H new ATOM 0 HB2 TYR A 49 -1.185 -0.619 -6.950 1.00 34.45 H new ATOM 0 HB3 TYR A 49 -0.113 -1.793 -7.687 1.00 34.45 H new ATOM 0 HD1 TYR A 49 -1.166 1.809 -8.182 1.00 70.24 H new ATOM 0 HD2 TYR A 49 2.011 -1.041 -8.416 1.00 12.30 H new ATOM 0 HE1 TYR A 49 0.408 3.604 -8.745 1.00 74.54 H new ATOM 0 HE2 TYR A 49 3.576 0.762 -8.987 1.00 34.22 H new ATOM 0 HH TYR A 49 3.863 2.925 -9.336 1.00 71.22 H new ATOM 837 N LEU A 50 -3.279 -2.846 -7.864 1.00 44.44 N ATOM 838 CA LEU A 50 -3.869 -4.215 -7.669 1.00 52.21 C ATOM 839 C LEU A 50 -4.514 -4.762 -8.967 1.00 43.32 C ATOM 840 O LEU A 50 -4.588 -5.976 -9.178 1.00 75.35 O ATOM 841 CB LEU A 50 -4.904 -4.249 -6.510 1.00 62.44 C ATOM 842 CG LEU A 50 -4.325 -4.440 -5.077 1.00 44.44 C ATOM 843 CD1 LEU A 50 -3.522 -3.234 -4.596 1.00 24.42 C ATOM 844 CD2 LEU A 50 -5.433 -4.798 -4.088 1.00 74.23 C ATOM 0 H LEU A 50 -3.670 -2.127 -7.255 1.00 44.44 H new ATOM 0 HA LEU A 50 -3.035 -4.863 -7.401 1.00 52.21 H new ATOM 0 HB2 LEU A 50 -5.471 -3.318 -6.529 1.00 62.44 H new ATOM 0 HB3 LEU A 50 -5.610 -5.056 -6.705 1.00 62.44 H new ATOM 0 HG LEU A 50 -3.624 -5.273 -5.129 1.00 44.44 H new ATOM 0 HD11 LEU A 50 -3.144 -3.426 -3.592 1.00 24.42 H new ATOM 0 HD12 LEU A 50 -2.685 -3.061 -5.272 1.00 24.42 H new ATOM 0 HD13 LEU A 50 -4.163 -2.353 -4.580 1.00 24.42 H new ATOM 0 HD21 LEU A 50 -5.006 -4.927 -3.094 1.00 74.23 H new ATOM 0 HD22 LEU A 50 -6.172 -3.997 -4.064 1.00 74.23 H new ATOM 0 HD23 LEU A 50 -5.913 -5.726 -4.399 1.00 74.23 H new ATOM 856 N LYS A 51 -4.952 -3.839 -9.819 1.00 53.55 N ATOM 857 CA LYS A 51 -5.560 -4.134 -11.122 1.00 53.43 C ATOM 858 C LYS A 51 -4.522 -4.708 -12.134 1.00 5.43 C ATOM 859 O LYS A 51 -4.878 -5.514 -13.001 1.00 51.32 O ATOM 860 CB LYS A 51 -6.221 -2.827 -11.614 1.00 40.34 C ATOM 861 CG LYS A 51 -6.849 -2.849 -13.023 1.00 33.13 C ATOM 862 CD LYS A 51 -7.748 -1.606 -13.282 1.00 71.13 C ATOM 863 CE LYS A 51 -7.061 -0.272 -12.899 1.00 42.35 C ATOM 864 NZ LYS A 51 -7.970 0.892 -13.045 1.00 43.44 N ATOM 0 H LYS A 51 -4.895 -2.840 -9.622 1.00 53.55 H new ATOM 0 HA LYS A 51 -6.312 -4.917 -11.030 1.00 53.43 H new ATOM 0 HB2 LYS A 51 -6.998 -2.550 -10.901 1.00 40.34 H new ATOM 0 HB3 LYS A 51 -5.470 -2.037 -11.590 1.00 40.34 H new ATOM 0 HG2 LYS A 51 -6.058 -2.886 -13.772 1.00 33.13 H new ATOM 0 HG3 LYS A 51 -7.442 -3.756 -13.141 1.00 33.13 H new ATOM 0 HD2 LYS A 51 -8.023 -1.577 -14.336 1.00 71.13 H new ATOM 0 HD3 LYS A 51 -8.673 -1.708 -12.714 1.00 71.13 H new ATOM 0 HE2 LYS A 51 -6.710 -0.329 -11.869 1.00 42.35 H new ATOM 0 HE3 LYS A 51 -6.182 -0.125 -13.527 1.00 42.35 H new ATOM 0 HZ1 LYS A 51 -7.466 1.762 -12.778 1.00 43.44 H new ATOM 0 HZ2 LYS A 51 -8.285 0.965 -14.033 1.00 43.44 H new ATOM 0 HZ3 LYS A 51 -8.797 0.767 -12.426 1.00 43.44 H new ATOM 878 N LYS A 52 -3.235 -4.294 -12.018 1.00 65.03 N ATOM 879 CA LYS A 52 -2.121 -4.901 -12.806 1.00 52.01 C ATOM 880 C LYS A 52 -1.398 -6.048 -12.040 1.00 25.21 C ATOM 881 O LYS A 52 -0.858 -6.961 -12.668 1.00 3.14 O ATOM 882 CB LYS A 52 -1.086 -3.824 -13.252 1.00 1.55 C ATOM 883 CG LYS A 52 -0.471 -2.991 -12.107 1.00 11.32 C ATOM 884 CD LYS A 52 0.696 -2.065 -12.556 1.00 71.10 C ATOM 885 CE LYS A 52 2.099 -2.692 -12.369 1.00 22.35 C ATOM 886 NZ LYS A 52 2.300 -3.929 -13.169 1.00 51.22 N ATOM 0 H LYS A 52 -2.939 -3.546 -11.391 1.00 65.03 H new ATOM 0 HA LYS A 52 -2.583 -5.337 -13.692 1.00 52.01 H new ATOM 0 HB2 LYS A 52 -0.280 -4.320 -13.793 1.00 1.55 H new ATOM 0 HB3 LYS A 52 -1.571 -3.145 -13.954 1.00 1.55 H new ATOM 0 HG2 LYS A 52 -1.253 -2.380 -11.655 1.00 11.32 H new ATOM 0 HG3 LYS A 52 -0.108 -3.668 -11.333 1.00 11.32 H new ATOM 0 HD2 LYS A 52 0.560 -1.808 -13.607 1.00 71.10 H new ATOM 0 HD3 LYS A 52 0.646 -1.134 -11.992 1.00 71.10 H new ATOM 0 HE2 LYS A 52 2.857 -1.960 -12.648 1.00 22.35 H new ATOM 0 HE3 LYS A 52 2.250 -2.921 -11.314 1.00 22.35 H new ATOM 0 HZ1 LYS A 52 3.278 -4.262 -13.053 1.00 51.22 H new ATOM 0 HZ2 LYS A 52 1.643 -4.665 -12.841 1.00 51.22 H new ATOM 0 HZ3 LYS A 52 2.120 -3.726 -14.173 1.00 51.22 H new ATOM 900 N MET A 53 -1.406 -6.003 -10.691 1.00 54.34 N ATOM 901 CA MET A 53 -0.585 -6.913 -9.841 1.00 65.32 C ATOM 902 C MET A 53 -1.211 -8.319 -9.677 1.00 54.15 C ATOM 903 O MET A 53 -2.434 -8.463 -9.585 1.00 54.23 O ATOM 904 CB MET A 53 -0.306 -6.281 -8.442 1.00 52.12 C ATOM 905 CG MET A 53 0.730 -5.141 -8.441 1.00 14.00 C ATOM 906 SD MET A 53 1.326 -4.681 -6.791 1.00 24.32 S ATOM 907 CE MET A 53 -0.164 -4.147 -5.962 1.00 13.35 C ATOM 0 H MET A 53 -1.973 -5.344 -10.158 1.00 54.34 H new ATOM 0 HA MET A 53 0.360 -7.043 -10.368 1.00 65.32 H new ATOM 0 HB2 MET A 53 -1.244 -5.900 -8.038 1.00 52.12 H new ATOM 0 HB3 MET A 53 0.037 -7.065 -7.767 1.00 52.12 H new ATOM 0 HG2 MET A 53 1.582 -5.438 -9.053 1.00 14.00 H new ATOM 0 HG3 MET A 53 0.289 -4.263 -8.914 1.00 14.00 H new ATOM 0 HE1 MET A 53 0.022 -3.201 -5.453 1.00 13.35 H new ATOM 0 HE2 MET A 53 -0.960 -4.014 -6.694 1.00 13.35 H new ATOM 0 HE3 MET A 53 -0.464 -4.899 -5.232 1.00 13.35 H new ATOM 917 N ASN A 54 -0.336 -9.344 -9.610 1.00 72.03 N ATOM 918 CA ASN A 54 -0.740 -10.760 -9.439 1.00 34.13 C ATOM 919 C ASN A 54 -0.823 -11.148 -7.939 1.00 53.13 C ATOM 920 O ASN A 54 -0.508 -10.329 -7.076 1.00 14.11 O ATOM 921 CB ASN A 54 0.237 -11.691 -10.217 1.00 51.13 C ATOM 922 CG ASN A 54 1.715 -11.581 -9.799 1.00 72.12 C ATOM 923 OD1 ASN A 54 2.051 -11.398 -8.632 1.00 0.00 O ATOM 924 ND2 ASN A 54 2.616 -11.690 -10.760 1.00 14.33 N ATOM 0 H ASN A 54 0.674 -9.215 -9.673 1.00 72.03 H new ATOM 0 HA ASN A 54 -1.740 -10.887 -9.855 1.00 34.13 H new ATOM 0 HB2 ASN A 54 -0.086 -12.723 -10.084 1.00 51.13 H new ATOM 0 HB3 ASN A 54 0.159 -11.467 -11.281 1.00 51.13 H new ATOM 0 HD21 ASN A 54 3.609 -11.622 -10.538 1.00 14.33 H new ATOM 0 HD22 ASN A 54 2.318 -11.842 -11.724 1.00 14.33 H new ATOM 931 N GLU A 55 -1.190 -12.420 -7.658 1.00 54.25 N ATOM 932 CA GLU A 55 -1.387 -12.958 -6.280 1.00 20.22 C ATOM 933 C GLU A 55 -0.194 -12.634 -5.338 1.00 5.33 C ATOM 934 O GLU A 55 -0.378 -12.174 -4.204 1.00 71.55 O ATOM 935 CB GLU A 55 -1.563 -14.510 -6.327 1.00 24.14 C ATOM 936 CG GLU A 55 -2.822 -15.050 -7.050 1.00 3.41 C ATOM 937 CD GLU A 55 -2.801 -14.941 -8.589 1.00 74.32 C ATOM 938 OE1 GLU A 55 -2.330 -15.887 -9.255 1.00 34.45 O ATOM 939 OE2 GLU A 55 -3.262 -13.915 -9.143 1.00 12.51 O ATOM 0 H GLU A 55 -1.361 -13.114 -8.386 1.00 54.25 H new ATOM 0 HA GLU A 55 -2.281 -12.476 -5.885 1.00 20.22 H new ATOM 0 HB2 GLU A 55 -0.684 -14.937 -6.811 1.00 24.14 H new ATOM 0 HB3 GLU A 55 -1.574 -14.881 -5.302 1.00 24.14 H new ATOM 0 HG2 GLU A 55 -2.954 -16.097 -6.779 1.00 3.41 H new ATOM 0 HG3 GLU A 55 -3.693 -14.512 -6.677 1.00 3.41 H new ATOM 946 N GLU A 56 1.011 -12.857 -5.862 1.00 2.15 N ATOM 947 CA GLU A 56 2.283 -12.730 -5.119 1.00 32.32 C ATOM 948 C GLU A 56 2.570 -11.262 -4.701 1.00 13.43 C ATOM 949 O GLU A 56 3.103 -10.999 -3.618 1.00 50.24 O ATOM 950 CB GLU A 56 3.414 -13.286 -6.014 1.00 51.21 C ATOM 951 CG GLU A 56 3.153 -14.724 -6.523 1.00 62.12 C ATOM 952 CD GLU A 56 4.099 -15.154 -7.658 1.00 4.41 C ATOM 953 OE1 GLU A 56 3.801 -14.858 -8.840 1.00 13.40 O ATOM 954 OE2 GLU A 56 5.141 -15.778 -7.376 1.00 21.15 O ATOM 0 H GLU A 56 1.142 -13.137 -6.834 1.00 2.15 H new ATOM 0 HA GLU A 56 2.219 -13.300 -4.192 1.00 32.32 H new ATOM 0 HB2 GLU A 56 3.546 -12.625 -6.871 1.00 51.21 H new ATOM 0 HB3 GLU A 56 4.349 -13.272 -5.454 1.00 51.21 H new ATOM 0 HG2 GLU A 56 3.257 -15.420 -5.691 1.00 62.12 H new ATOM 0 HG3 GLU A 56 2.123 -14.796 -6.872 1.00 62.12 H new ATOM 961 N GLU A 57 2.217 -10.316 -5.584 1.00 34.21 N ATOM 962 CA GLU A 57 2.339 -8.866 -5.312 1.00 1.21 C ATOM 963 C GLU A 57 1.218 -8.360 -4.353 1.00 24.22 C ATOM 964 O GLU A 57 1.462 -7.505 -3.496 1.00 23.24 O ATOM 965 CB GLU A 57 2.301 -8.092 -6.653 1.00 3.15 C ATOM 966 CG GLU A 57 3.417 -8.475 -7.651 1.00 43.41 C ATOM 967 CD GLU A 57 3.278 -7.785 -9.022 1.00 52.43 C ATOM 968 OE1 GLU A 57 3.797 -6.665 -9.191 1.00 12.23 O ATOM 969 OE2 GLU A 57 2.642 -8.359 -9.937 1.00 0.42 O ATOM 0 H GLU A 57 1.839 -10.529 -6.507 1.00 34.21 H new ATOM 0 HA GLU A 57 3.290 -8.687 -4.811 1.00 1.21 H new ATOM 0 HB2 GLU A 57 1.334 -8.261 -7.127 1.00 3.15 H new ATOM 0 HB3 GLU A 57 2.371 -7.025 -6.443 1.00 3.15 H new ATOM 0 HG2 GLU A 57 4.384 -8.217 -7.219 1.00 43.41 H new ATOM 0 HG3 GLU A 57 3.410 -9.556 -7.794 1.00 43.41 H new ATOM 976 N LEU A 58 -0.018 -8.877 -4.535 1.00 72.53 N ATOM 977 CA LEU A 58 -1.181 -8.566 -3.650 1.00 61.04 C ATOM 978 C LEU A 58 -0.943 -8.963 -2.166 1.00 71.10 C ATOM 979 O LEU A 58 -1.365 -8.243 -1.260 1.00 24.11 O ATOM 980 CB LEU A 58 -2.495 -9.244 -4.149 1.00 50.55 C ATOM 981 CG LEU A 58 -2.941 -8.938 -5.619 1.00 52.21 C ATOM 982 CD1 LEU A 58 -4.419 -9.311 -5.859 1.00 23.32 C ATOM 983 CD2 LEU A 58 -2.666 -7.480 -6.017 1.00 71.13 C ATOM 0 H LEU A 58 -0.245 -9.520 -5.294 1.00 72.53 H new ATOM 0 HA LEU A 58 -1.289 -7.483 -3.701 1.00 61.04 H new ATOM 0 HB2 LEU A 58 -2.378 -10.323 -4.048 1.00 50.55 H new ATOM 0 HB3 LEU A 58 -3.304 -8.947 -3.481 1.00 50.55 H new ATOM 0 HG LEU A 58 -2.332 -9.570 -6.265 1.00 52.21 H new ATOM 0 HD11 LEU A 58 -4.689 -9.083 -6.890 1.00 23.32 H new ATOM 0 HD12 LEU A 58 -4.560 -10.376 -5.674 1.00 23.32 H new ATOM 0 HD13 LEU A 58 -5.053 -8.738 -5.183 1.00 23.32 H new ATOM 0 HD21 LEU A 58 -2.992 -7.316 -7.044 1.00 71.13 H new ATOM 0 HD22 LEU A 58 -3.213 -6.812 -5.352 1.00 71.13 H new ATOM 0 HD23 LEU A 58 -1.598 -7.277 -5.938 1.00 71.13 H new ATOM 995 N GLU A 59 -0.301 -10.121 -1.920 1.00 24.13 N ATOM 996 CA GLU A 59 -0.005 -10.586 -0.540 1.00 32.21 C ATOM 997 C GLU A 59 1.172 -9.792 0.087 1.00 65.21 C ATOM 998 O GLU A 59 1.238 -9.631 1.314 1.00 33.31 O ATOM 999 CB GLU A 59 0.259 -12.113 -0.520 1.00 11.22 C ATOM 1000 CG GLU A 59 1.494 -12.570 -1.313 1.00 71.00 C ATOM 1001 CD GLU A 59 1.616 -14.098 -1.410 1.00 42.31 C ATOM 1002 OE1 GLU A 59 1.045 -14.689 -2.352 1.00 43.45 O ATOM 1003 OE2 GLU A 59 2.263 -14.713 -0.534 1.00 62.53 O ATOM 0 H GLU A 59 0.024 -10.753 -2.652 1.00 24.13 H new ATOM 0 HA GLU A 59 -0.883 -10.392 0.076 1.00 32.21 H new ATOM 0 HB2 GLU A 59 0.372 -12.433 0.516 1.00 11.22 H new ATOM 0 HB3 GLU A 59 -0.618 -12.623 -0.917 1.00 11.22 H new ATOM 0 HG2 GLU A 59 1.449 -12.151 -2.318 1.00 71.00 H new ATOM 0 HG3 GLU A 59 2.391 -12.169 -0.840 1.00 71.00 H new ATOM 1010 N GLU A 60 2.093 -9.297 -0.768 1.00 4.32 N ATOM 1011 CA GLU A 60 3.142 -8.333 -0.351 1.00 42.52 C ATOM 1012 C GLU A 60 2.475 -6.998 0.080 1.00 2.13 C ATOM 1013 O GLU A 60 2.882 -6.363 1.061 1.00 14.13 O ATOM 1014 CB GLU A 60 4.161 -8.110 -1.514 1.00 11.24 C ATOM 1015 CG GLU A 60 5.443 -7.308 -1.148 1.00 45.51 C ATOM 1016 CD GLU A 60 6.511 -7.232 -2.279 1.00 63.13 C ATOM 1017 OE1 GLU A 60 6.534 -8.117 -3.168 1.00 55.13 O ATOM 1018 OE2 GLU A 60 7.344 -6.290 -2.278 1.00 70.10 O ATOM 0 H GLU A 60 2.133 -9.549 -1.756 1.00 4.32 H new ATOM 0 HA GLU A 60 3.692 -8.734 0.500 1.00 42.52 H new ATOM 0 HB2 GLU A 60 4.462 -9.084 -1.899 1.00 11.24 H new ATOM 0 HB3 GLU A 60 3.650 -7.591 -2.325 1.00 11.24 H new ATOM 0 HG2 GLU A 60 5.154 -6.294 -0.872 1.00 45.51 H new ATOM 0 HG3 GLU A 60 5.899 -7.760 -0.267 1.00 45.51 H new ATOM 1025 N TYR A 61 1.412 -6.603 -0.663 1.00 50.05 N ATOM 1026 CA TYR A 61 0.596 -5.407 -0.351 1.00 32.45 C ATOM 1027 C TYR A 61 -0.252 -5.594 0.928 1.00 63.33 C ATOM 1028 O TYR A 61 -0.476 -4.637 1.678 1.00 42.43 O ATOM 1029 CB TYR A 61 -0.314 -5.038 -1.549 1.00 64.22 C ATOM 1030 CG TYR A 61 -1.033 -3.702 -1.355 1.00 41.31 C ATOM 1031 CD1 TYR A 61 -0.306 -2.516 -1.322 1.00 43.43 C ATOM 1032 CD2 TYR A 61 -2.418 -3.621 -1.168 1.00 43.23 C ATOM 1033 CE1 TYR A 61 -0.920 -1.306 -1.123 1.00 24.10 C ATOM 1034 CE2 TYR A 61 -3.038 -2.402 -0.967 1.00 74.25 C ATOM 1035 CZ TYR A 61 -2.277 -1.245 -0.948 1.00 12.40 C ATOM 1036 OH TYR A 61 -2.869 -0.022 -0.756 1.00 54.12 O ATOM 0 H TYR A 61 1.098 -7.105 -1.494 1.00 50.05 H new ATOM 0 HA TYR A 61 1.290 -4.588 -0.165 1.00 32.45 H new ATOM 0 HB2 TYR A 61 0.288 -4.994 -2.457 1.00 64.22 H new ATOM 0 HB3 TYR A 61 -1.053 -5.826 -1.695 1.00 64.22 H new ATOM 0 HD1 TYR A 61 0.765 -2.549 -1.456 1.00 43.43 H new ATOM 0 HD2 TYR A 61 -3.011 -4.524 -1.181 1.00 43.23 H new ATOM 0 HE1 TYR A 61 -0.333 -0.400 -1.104 1.00 24.10 H new ATOM 0 HE2 TYR A 61 -4.108 -2.352 -0.826 1.00 74.25 H new ATOM 0 HH TYR A 61 -2.834 0.493 -1.589 1.00 54.12 H new ATOM 1046 N ASP A 62 -0.735 -6.826 1.151 1.00 14.31 N ATOM 1047 CA ASP A 62 -1.462 -7.200 2.385 1.00 50.51 C ATOM 1048 C ASP A 62 -0.571 -6.963 3.631 1.00 74.50 C ATOM 1049 O ASP A 62 -1.038 -6.465 4.657 1.00 21.51 O ATOM 1050 CB ASP A 62 -1.911 -8.680 2.280 1.00 64.22 C ATOM 1051 CG ASP A 62 -2.608 -9.218 3.545 1.00 31.44 C ATOM 1052 OD1 ASP A 62 -3.825 -8.990 3.716 1.00 43.43 O ATOM 1053 OD2 ASP A 62 -1.941 -9.899 4.360 1.00 62.14 O ATOM 0 H ASP A 62 -0.636 -7.593 0.486 1.00 14.31 H new ATOM 0 HA ASP A 62 -2.347 -6.574 2.496 1.00 50.51 H new ATOM 0 HB2 ASP A 62 -2.589 -8.783 1.433 1.00 64.22 H new ATOM 0 HB3 ASP A 62 -1.039 -9.299 2.068 1.00 64.22 H new ATOM 1058 N SER A 63 0.725 -7.296 3.491 1.00 21.33 N ATOM 1059 CA SER A 63 1.752 -7.036 4.528 1.00 50.33 C ATOM 1060 C SER A 63 1.912 -5.518 4.810 1.00 4.24 C ATOM 1061 O SER A 63 2.124 -5.116 5.957 1.00 43.11 O ATOM 1062 CB SER A 63 3.111 -7.637 4.093 1.00 71.05 C ATOM 1063 OG SER A 63 2.991 -9.022 3.787 1.00 71.02 O ATOM 0 H SER A 63 1.094 -7.753 2.657 1.00 21.33 H new ATOM 0 HA SER A 63 1.420 -7.514 5.449 1.00 50.33 H new ATOM 0 HB2 SER A 63 3.485 -7.101 3.221 1.00 71.05 H new ATOM 0 HB3 SER A 63 3.843 -7.501 4.889 1.00 71.05 H new ATOM 0 HG SER A 63 2.462 -9.132 2.969 1.00 71.02 H new ATOM 1069 N LEU A 64 1.803 -4.684 3.748 1.00 32.02 N ATOM 1070 CA LEU A 64 1.864 -3.205 3.864 1.00 13.55 C ATOM 1071 C LEU A 64 0.595 -2.645 4.553 1.00 42.24 C ATOM 1072 O LEU A 64 0.646 -1.627 5.245 1.00 71.52 O ATOM 1073 CB LEU A 64 2.046 -2.560 2.464 1.00 34.51 C ATOM 1074 CG LEU A 64 2.273 -1.013 2.443 1.00 13.20 C ATOM 1075 CD1 LEU A 64 3.615 -0.627 3.112 1.00 74.35 C ATOM 1076 CD2 LEU A 64 2.171 -0.441 1.007 1.00 53.24 C ATOM 0 H LEU A 64 1.671 -5.014 2.792 1.00 32.02 H new ATOM 0 HA LEU A 64 2.724 -2.952 4.484 1.00 13.55 H new ATOM 0 HB2 LEU A 64 2.894 -3.038 1.974 1.00 34.51 H new ATOM 0 HB3 LEU A 64 1.164 -2.785 1.865 1.00 34.51 H new ATOM 0 HG LEU A 64 1.474 -0.561 3.030 1.00 13.20 H new ATOM 0 HD11 LEU A 64 3.740 0.455 3.079 1.00 74.35 H new ATOM 0 HD12 LEU A 64 3.614 -0.961 4.150 1.00 74.35 H new ATOM 0 HD13 LEU A 64 4.438 -1.103 2.579 1.00 74.35 H new ATOM 0 HD21 LEU A 64 2.334 0.636 1.032 1.00 53.24 H new ATOM 0 HD22 LEU A 64 2.926 -0.908 0.375 1.00 53.24 H new ATOM 0 HD23 LEU A 64 1.180 -0.649 0.602 1.00 53.24 H new ATOM 1088 N LEU A 65 -0.548 -3.318 4.354 1.00 12.13 N ATOM 1089 CA LEU A 65 -1.811 -2.963 5.037 1.00 52.12 C ATOM 1090 C LEU A 65 -1.781 -3.366 6.527 1.00 54.12 C ATOM 1091 O LEU A 65 -2.459 -2.754 7.354 1.00 43.25 O ATOM 1092 CB LEU A 65 -3.015 -3.591 4.299 1.00 61.03 C ATOM 1093 CG LEU A 65 -3.221 -3.077 2.841 1.00 4.12 C ATOM 1094 CD1 LEU A 65 -4.440 -3.735 2.183 1.00 33.44 C ATOM 1095 CD2 LEU A 65 -3.322 -1.534 2.796 1.00 14.22 C ATOM 0 H LEU A 65 -0.628 -4.116 3.723 1.00 12.13 H new ATOM 0 HA LEU A 65 -1.924 -1.879 5.006 1.00 52.12 H new ATOM 0 HB2 LEU A 65 -2.885 -4.673 4.274 1.00 61.03 H new ATOM 0 HB3 LEU A 65 -3.920 -3.391 4.872 1.00 61.03 H new ATOM 0 HG LEU A 65 -2.342 -3.365 2.265 1.00 4.12 H new ATOM 0 HD11 LEU A 65 -4.555 -3.355 1.168 1.00 33.44 H new ATOM 0 HD12 LEU A 65 -4.298 -4.815 2.152 1.00 33.44 H new ATOM 0 HD13 LEU A 65 -5.335 -3.503 2.761 1.00 33.44 H new ATOM 0 HD21 LEU A 65 -3.465 -1.209 1.766 1.00 14.22 H new ATOM 0 HD22 LEU A 65 -4.168 -1.207 3.401 1.00 14.22 H new ATOM 0 HD23 LEU A 65 -2.404 -1.098 3.190 1.00 14.22 H new ATOM 1107 N ASN A 66 -0.962 -4.380 6.852 1.00 30.22 N ATOM 1108 CA ASN A 66 -0.680 -4.781 8.251 1.00 3.14 C ATOM 1109 C ASN A 66 0.350 -3.823 8.927 1.00 45.41 C ATOM 1110 O ASN A 66 0.643 -3.970 10.116 1.00 42.10 O ATOM 1111 CB ASN A 66 -0.173 -6.248 8.285 1.00 42.14 C ATOM 1112 CG ASN A 66 -1.178 -7.249 7.697 1.00 54.02 C ATOM 1113 OD1 ASN A 66 -2.389 -7.072 7.791 1.00 23.43 O ATOM 1114 ND2 ASN A 66 -0.687 -8.305 7.079 1.00 62.11 N ATOM 0 H ASN A 66 -0.475 -4.947 6.158 1.00 30.22 H new ATOM 0 HA ASN A 66 -1.607 -4.710 8.820 1.00 3.14 H new ATOM 0 HB2 ASN A 66 0.763 -6.315 7.731 1.00 42.14 H new ATOM 0 HB3 ASN A 66 0.046 -6.526 9.316 1.00 42.14 H new ATOM 0 HD21 ASN A 66 -1.317 -8.994 6.668 1.00 62.11 H new ATOM 0 HD22 ASN A 66 0.323 -8.433 7.012 1.00 62.11 H new ATOM 1121 N GLU A 67 0.896 -2.847 8.157 1.00 51.34 N ATOM 1122 CA GLU A 67 1.824 -1.814 8.682 1.00 1.30 C ATOM 1123 C GLU A 67 1.074 -0.578 9.243 1.00 10.02 C ATOM 1124 O GLU A 67 -0.144 -0.430 9.081 1.00 45.54 O ATOM 1125 CB GLU A 67 2.829 -1.354 7.583 1.00 2.52 C ATOM 1126 CG GLU A 67 3.799 -2.441 7.090 1.00 12.54 C ATOM 1127 CD GLU A 67 4.715 -3.012 8.190 1.00 53.31 C ATOM 1128 OE1 GLU A 67 5.272 -2.227 8.992 1.00 1.25 O ATOM 1129 OE2 GLU A 67 4.931 -4.239 8.224 1.00 34.33 O ATOM 0 H GLU A 67 0.706 -2.755 7.159 1.00 51.34 H new ATOM 0 HA GLU A 67 2.370 -2.280 9.502 1.00 1.30 H new ATOM 0 HB2 GLU A 67 2.264 -0.979 6.730 1.00 2.52 H new ATOM 0 HB3 GLU A 67 3.411 -0.518 7.972 1.00 2.52 H new ATOM 0 HG2 GLU A 67 3.223 -3.256 6.653 1.00 12.54 H new ATOM 0 HG3 GLU A 67 4.419 -2.026 6.295 1.00 12.54 H new ATOM 1136 N LEU A 68 1.859 0.322 9.858 1.00 52.15 N ATOM 1137 CA LEU A 68 1.362 1.510 10.582 1.00 44.33 C ATOM 1138 C LEU A 68 1.066 2.699 9.630 1.00 65.10 C ATOM 1139 O LEU A 68 1.877 3.015 8.759 1.00 20.51 O ATOM 1140 CB LEU A 68 2.420 1.909 11.637 1.00 34.43 C ATOM 1141 CG LEU A 68 2.785 0.797 12.675 1.00 63.54 C ATOM 1142 CD1 LEU A 68 3.982 1.217 13.555 1.00 23.01 C ATOM 1143 CD2 LEU A 68 1.556 0.423 13.538 1.00 12.21 C ATOM 0 H LEU A 68 2.876 0.245 9.868 1.00 52.15 H new ATOM 0 HA LEU A 68 0.416 1.259 11.062 1.00 44.33 H new ATOM 0 HB2 LEU A 68 3.330 2.211 11.118 1.00 34.43 H new ATOM 0 HB3 LEU A 68 2.057 2.783 12.178 1.00 34.43 H new ATOM 0 HG LEU A 68 3.087 -0.091 12.119 1.00 63.54 H new ATOM 0 HD11 LEU A 68 4.209 0.421 14.265 1.00 23.01 H new ATOM 0 HD12 LEU A 68 4.852 1.399 12.924 1.00 23.01 H new ATOM 0 HD13 LEU A 68 3.732 2.128 14.099 1.00 23.01 H new ATOM 0 HD21 LEU A 68 1.835 -0.352 14.252 1.00 12.21 H new ATOM 0 HD22 LEU A 68 1.208 1.304 14.077 1.00 12.21 H new ATOM 0 HD23 LEU A 68 0.758 0.053 12.894 1.00 12.21 H new ATOM 1155 N ASP A 69 -0.088 3.354 9.857 1.00 74.34 N ATOM 1156 CA ASP A 69 -0.642 4.461 9.021 1.00 33.50 C ATOM 1157 C ASP A 69 0.412 5.531 8.615 1.00 53.21 C ATOM 1158 O ASP A 69 0.709 5.701 7.423 1.00 33.42 O ATOM 1159 CB ASP A 69 -1.793 5.156 9.799 1.00 41.44 C ATOM 1160 CG ASP A 69 -2.994 4.243 10.099 1.00 14.35 C ATOM 1161 OD1 ASP A 69 -2.800 3.119 10.611 1.00 71.03 O ATOM 1162 OD2 ASP A 69 -4.138 4.639 9.814 1.00 63.10 O ATOM 0 H ASP A 69 -0.688 3.128 10.651 1.00 74.34 H new ATOM 0 HA ASP A 69 -0.997 4.005 8.097 1.00 33.50 H new ATOM 0 HB2 ASP A 69 -1.400 5.541 10.740 1.00 41.44 H new ATOM 0 HB3 ASP A 69 -2.139 6.015 9.223 1.00 41.44 H new ATOM 1167 N TRP A 70 0.959 6.247 9.617 1.00 71.10 N ATOM 1168 CA TRP A 70 1.946 7.334 9.392 1.00 53.34 C ATOM 1169 C TRP A 70 3.270 6.825 8.786 1.00 42.52 C ATOM 1170 O TRP A 70 3.846 7.491 7.917 1.00 61.43 O ATOM 1171 CB TRP A 70 2.233 8.111 10.712 1.00 31.42 C ATOM 1172 CG TRP A 70 1.266 9.242 10.994 1.00 74.01 C ATOM 1173 CD1 TRP A 70 0.369 9.344 12.023 1.00 11.10 C ATOM 1174 CD2 TRP A 70 1.116 10.442 10.211 1.00 20.11 C ATOM 1175 NE1 TRP A 70 -0.314 10.531 11.930 1.00 75.23 N ATOM 1176 CE2 TRP A 70 0.123 11.218 10.826 1.00 1.32 C ATOM 1177 CE3 TRP A 70 1.727 10.933 9.044 1.00 73.02 C ATOM 1178 CZ2 TRP A 70 -0.273 12.455 10.323 1.00 1.10 C ATOM 1179 CZ3 TRP A 70 1.332 12.158 8.546 1.00 44.11 C ATOM 1180 CH2 TRP A 70 0.339 12.907 9.186 1.00 74.10 C ATOM 0 H TRP A 70 0.735 6.094 10.600 1.00 71.10 H new ATOM 0 HA TRP A 70 1.493 8.009 8.666 1.00 53.34 H new ATOM 0 HB2 TRP A 70 2.206 7.409 11.546 1.00 31.42 H new ATOM 0 HB3 TRP A 70 3.244 8.516 10.669 1.00 31.42 H new ATOM 0 HD1 TRP A 70 0.221 8.601 12.793 1.00 11.10 H new ATOM 0 HE1 TRP A 70 -1.033 10.851 12.579 1.00 75.23 H new ATOM 0 HE3 TRP A 70 2.494 10.360 8.545 1.00 73.02 H new ATOM 0 HZ2 TRP A 70 -1.038 13.038 10.814 1.00 1.10 H new ATOM 0 HZ3 TRP A 70 1.796 12.544 7.650 1.00 44.11 H new ATOM 0 HH2 TRP A 70 0.049 13.862 8.774 1.00 74.10 H new ATOM 1191 N ASP A 71 3.740 5.655 9.248 1.00 33.34 N ATOM 1192 CA ASP A 71 5.032 5.080 8.816 1.00 0.12 C ATOM 1193 C ASP A 71 5.033 4.776 7.296 1.00 52.44 C ATOM 1194 O ASP A 71 5.994 5.106 6.604 1.00 73.23 O ATOM 1195 CB ASP A 71 5.347 3.821 9.656 1.00 40.11 C ATOM 1196 CG ASP A 71 5.580 4.159 11.140 1.00 73.44 C ATOM 1197 OD1 ASP A 71 4.598 4.415 11.868 1.00 32.23 O ATOM 1198 OD2 ASP A 71 6.749 4.196 11.587 1.00 30.34 O ATOM 0 H ASP A 71 3.241 5.081 9.928 1.00 33.34 H new ATOM 0 HA ASP A 71 5.821 5.813 8.987 1.00 0.12 H new ATOM 0 HB2 ASP A 71 4.522 3.113 9.571 1.00 40.11 H new ATOM 0 HB3 ASP A 71 6.232 3.329 9.253 1.00 40.11 H new ATOM 1203 N ILE A 72 3.920 4.201 6.794 1.00 10.31 N ATOM 1204 CA ILE A 72 3.691 3.968 5.336 1.00 24.22 C ATOM 1205 C ILE A 72 3.874 5.274 4.518 1.00 41.44 C ATOM 1206 O ILE A 72 4.535 5.283 3.473 1.00 10.51 O ATOM 1207 CB ILE A 72 2.242 3.393 5.087 1.00 32.41 C ATOM 1208 CG1 ILE A 72 2.075 2.004 5.776 1.00 60.04 C ATOM 1209 CG2 ILE A 72 1.887 3.303 3.577 1.00 52.01 C ATOM 1210 CD1 ILE A 72 0.653 1.473 5.782 1.00 11.14 C ATOM 0 H ILE A 72 3.149 3.882 7.381 1.00 10.31 H new ATOM 0 HA ILE A 72 4.432 3.242 5.002 1.00 24.22 H new ATOM 0 HB ILE A 72 1.541 4.097 5.535 1.00 32.41 H new ATOM 0 HG12 ILE A 72 2.717 1.282 5.271 1.00 60.04 H new ATOM 0 HG13 ILE A 72 2.426 2.078 6.805 1.00 60.04 H new ATOM 0 HG21 ILE A 72 0.880 2.901 3.463 1.00 52.01 H new ATOM 0 HG22 ILE A 72 1.933 4.297 3.132 1.00 52.01 H new ATOM 0 HG23 ILE A 72 2.598 2.647 3.075 1.00 52.01 H new ATOM 0 HD11 ILE A 72 0.629 0.504 6.280 1.00 11.14 H new ATOM 0 HD12 ILE A 72 0.006 2.171 6.314 1.00 11.14 H new ATOM 0 HD13 ILE A 72 0.302 1.363 4.756 1.00 11.14 H new ATOM 1222 N TYR A 73 3.294 6.372 5.037 1.00 32.33 N ATOM 1223 CA TYR A 73 3.365 7.703 4.402 1.00 65.12 C ATOM 1224 C TYR A 73 4.821 8.245 4.374 1.00 42.33 C ATOM 1225 O TYR A 73 5.249 8.833 3.379 1.00 52.05 O ATOM 1226 CB TYR A 73 2.420 8.687 5.145 1.00 71.42 C ATOM 1227 CG TYR A 73 2.286 10.066 4.474 1.00 74.10 C ATOM 1228 CD1 TYR A 73 1.453 10.241 3.362 1.00 30.42 C ATOM 1229 CD2 TYR A 73 3.010 11.172 4.928 1.00 23.44 C ATOM 1230 CE1 TYR A 73 1.341 11.470 2.744 1.00 0.22 C ATOM 1231 CE2 TYR A 73 2.900 12.399 4.308 1.00 31.02 C ATOM 1232 CZ TYR A 73 2.073 12.541 3.215 1.00 15.24 C ATOM 1233 OH TYR A 73 1.961 13.769 2.599 1.00 72.11 O ATOM 0 H TYR A 73 2.763 6.362 5.908 1.00 32.33 H new ATOM 0 HA TYR A 73 3.039 7.609 3.366 1.00 65.12 H new ATOM 0 HB2 TYR A 73 1.431 8.235 5.220 1.00 71.42 H new ATOM 0 HB3 TYR A 73 2.786 8.825 6.162 1.00 71.42 H new ATOM 0 HD1 TYR A 73 0.890 9.401 2.982 1.00 30.42 H new ATOM 0 HD2 TYR A 73 3.667 11.064 5.779 1.00 23.44 H new ATOM 0 HE1 TYR A 73 0.684 11.593 1.896 1.00 0.22 H new ATOM 0 HE2 TYR A 73 3.460 13.245 4.678 1.00 31.02 H new ATOM 0 HH TYR A 73 1.341 14.334 3.106 1.00 72.11 H new ATOM 1243 N TYR A 74 5.569 8.024 5.473 1.00 43.24 N ATOM 1244 CA TYR A 74 6.964 8.516 5.615 1.00 62.42 C ATOM 1245 C TYR A 74 7.970 7.697 4.772 1.00 51.00 C ATOM 1246 O TYR A 74 9.036 8.211 4.407 1.00 53.30 O ATOM 1247 CB TYR A 74 7.398 8.522 7.100 1.00 45.23 C ATOM 1248 CG TYR A 74 6.588 9.468 8.010 1.00 11.10 C ATOM 1249 CD1 TYR A 74 6.232 10.756 7.591 1.00 11.35 C ATOM 1250 CD2 TYR A 74 6.209 9.085 9.295 1.00 73.12 C ATOM 1251 CE1 TYR A 74 5.529 11.611 8.419 1.00 71.02 C ATOM 1252 CE2 TYR A 74 5.502 9.935 10.121 1.00 43.21 C ATOM 1253 CZ TYR A 74 5.169 11.196 9.684 1.00 14.13 C ATOM 1254 OH TYR A 74 4.467 12.048 10.513 1.00 42.21 O ATOM 0 H TYR A 74 5.232 7.505 6.284 1.00 43.24 H new ATOM 0 HA TYR A 74 6.974 9.537 5.234 1.00 62.42 H new ATOM 0 HB2 TYR A 74 7.317 7.508 7.491 1.00 45.23 H new ATOM 0 HB3 TYR A 74 8.450 8.802 7.155 1.00 45.23 H new ATOM 0 HD1 TYR A 74 6.512 11.088 6.602 1.00 11.35 H new ATOM 0 HD2 TYR A 74 6.474 8.101 9.653 1.00 73.12 H new ATOM 0 HE1 TYR A 74 5.263 12.600 8.077 1.00 71.02 H new ATOM 0 HE2 TYR A 74 5.211 9.611 11.109 1.00 43.21 H new ATOM 0 HH TYR A 74 3.507 11.957 10.338 1.00 42.21 H new ATOM 1264 N TRP A 75 7.634 6.424 4.487 1.00 13.23 N ATOM 1265 CA TRP A 75 8.442 5.568 3.587 1.00 33.15 C ATOM 1266 C TRP A 75 8.134 5.885 2.105 1.00 45.13 C ATOM 1267 O TRP A 75 9.011 5.773 1.251 1.00 41.43 O ATOM 1268 CB TRP A 75 8.181 4.064 3.834 1.00 41.40 C ATOM 1269 CG TRP A 75 8.342 3.569 5.250 1.00 45.41 C ATOM 1270 CD1 TRP A 75 9.204 4.015 6.219 1.00 75.11 C ATOM 1271 CD2 TRP A 75 7.614 2.482 5.829 1.00 52.24 C ATOM 1272 NE1 TRP A 75 9.023 3.286 7.370 1.00 15.42 N ATOM 1273 CE2 TRP A 75 8.048 2.344 7.151 1.00 55.21 C ATOM 1274 CE3 TRP A 75 6.610 1.631 5.346 1.00 43.35 C ATOM 1275 CZ2 TRP A 75 7.524 1.377 8.000 1.00 73.41 C ATOM 1276 CZ3 TRP A 75 6.091 0.672 6.190 1.00 35.42 C ATOM 1277 CH2 TRP A 75 6.547 0.555 7.506 1.00 11.32 C ATOM 0 H TRP A 75 6.807 5.962 4.866 1.00 13.23 H new ATOM 0 HA TRP A 75 9.487 5.785 3.806 1.00 33.15 H new ATOM 0 HB2 TRP A 75 7.166 3.838 3.508 1.00 41.40 H new ATOM 0 HB3 TRP A 75 8.855 3.493 3.196 1.00 41.40 H new ATOM 0 HD1 TRP A 75 9.917 4.817 6.096 1.00 75.11 H new ATOM 0 HE1 TRP A 75 9.530 3.422 8.244 1.00 15.42 H new ATOM 0 HE3 TRP A 75 6.250 1.725 4.332 1.00 43.35 H new ATOM 0 HZ2 TRP A 75 7.876 1.277 9.016 1.00 73.41 H new ATOM 0 HZ3 TRP A 75 5.323 0.003 5.830 1.00 35.42 H new ATOM 0 HH2 TRP A 75 6.119 -0.201 8.148 1.00 11.32 H new ATOM 1288 N ALA A 76 6.857 6.227 1.816 1.00 52.03 N ATOM 1289 CA ALA A 76 6.412 6.669 0.467 1.00 64.22 C ATOM 1290 C ALA A 76 7.084 8.002 0.067 1.00 42.05 C ATOM 1291 O ALA A 76 7.418 8.232 -1.101 1.00 12.11 O ATOM 1292 CB ALA A 76 4.884 6.812 0.441 1.00 63.42 C ATOM 0 H ALA A 76 6.106 6.206 2.506 1.00 52.03 H new ATOM 0 HA ALA A 76 6.712 5.912 -0.258 1.00 64.22 H new ATOM 0 HB1 ALA A 76 4.566 7.136 -0.550 1.00 63.42 H new ATOM 0 HB2 ALA A 76 4.425 5.851 0.674 1.00 63.42 H new ATOM 0 HB3 ALA A 76 4.575 7.551 1.181 1.00 63.42 H new ATOM 1298 N THR A 77 7.240 8.880 1.062 1.00 31.33 N ATOM 1299 CA THR A 77 8.038 10.118 0.948 1.00 70.32 C ATOM 1300 C THR A 77 9.505 9.840 1.372 1.00 5.33 C ATOM 1301 O THR A 77 9.893 8.686 1.589 1.00 75.01 O ATOM 1302 CB THR A 77 7.428 11.260 1.833 1.00 63.21 C ATOM 1303 OG1 THR A 77 7.444 10.875 3.219 1.00 34.13 O ATOM 1304 CG2 THR A 77 5.983 11.605 1.417 1.00 10.50 C ATOM 0 H THR A 77 6.814 8.756 1.981 1.00 31.33 H new ATOM 0 HA THR A 77 8.020 10.446 -0.091 1.00 70.32 H new ATOM 0 HB THR A 77 8.044 12.147 1.684 1.00 63.21 H new ATOM 0 HG1 THR A 77 6.673 10.300 3.408 1.00 34.13 H new ATOM 0 HG21 THR A 77 5.600 12.400 2.056 1.00 10.50 H new ATOM 0 HG22 THR A 77 5.973 11.937 0.379 1.00 10.50 H new ATOM 0 HG23 THR A 77 5.354 10.721 1.521 1.00 10.50 H new ATOM 1312 N LYS A 78 10.331 10.892 1.481 1.00 33.23 N ATOM 1313 CA LYS A 78 11.744 10.759 1.919 1.00 52.50 C ATOM 1314 C LYS A 78 11.917 11.185 3.398 1.00 41.13 C ATOM 1315 O LYS A 78 12.993 11.626 3.819 1.00 42.43 O ATOM 1316 CB LYS A 78 12.654 11.569 0.961 1.00 11.12 C ATOM 1317 CG LYS A 78 12.596 11.061 -0.499 1.00 53.34 C ATOM 1318 CD LYS A 78 13.528 11.836 -1.457 1.00 73.43 C ATOM 1319 CE LYS A 78 13.197 13.340 -1.537 1.00 2.41 C ATOM 1320 NZ LYS A 78 14.019 14.042 -2.556 1.00 45.31 N ATOM 0 H LYS A 78 10.051 11.850 1.273 1.00 33.23 H new ATOM 0 HA LYS A 78 12.042 9.712 1.870 1.00 52.50 H new ATOM 0 HB2 LYS A 78 12.358 12.618 0.987 1.00 11.12 H new ATOM 0 HB3 LYS A 78 13.683 11.519 1.317 1.00 11.12 H new ATOM 0 HG2 LYS A 78 12.864 10.005 -0.519 1.00 53.34 H new ATOM 0 HG3 LYS A 78 11.571 11.137 -0.861 1.00 53.34 H new ATOM 0 HD2 LYS A 78 14.560 11.714 -1.128 1.00 73.43 H new ATOM 0 HD3 LYS A 78 13.458 11.401 -2.454 1.00 73.43 H new ATOM 0 HE2 LYS A 78 12.141 13.466 -1.775 1.00 2.41 H new ATOM 0 HE3 LYS A 78 13.361 13.799 -0.562 1.00 2.41 H new ATOM 0 HZ1 LYS A 78 13.763 15.050 -2.575 1.00 45.31 H new ATOM 0 HZ2 LYS A 78 15.026 13.945 -2.316 1.00 45.31 H new ATOM 0 HZ3 LYS A 78 13.844 13.623 -3.492 1.00 45.31 H new ATOM 1334 N ASN A 79 10.860 10.955 4.197 1.00 23.13 N ATOM 1335 CA ASN A 79 10.811 11.316 5.636 1.00 72.15 C ATOM 1336 C ASN A 79 11.325 10.151 6.528 1.00 14.03 C ATOM 1337 O ASN A 79 10.791 9.894 7.618 1.00 0.24 O ATOM 1338 CB ASN A 79 9.351 11.701 6.010 1.00 61.41 C ATOM 1339 CG ASN A 79 8.816 12.937 5.273 1.00 32.23 C ATOM 1340 OD1 ASN A 79 9.276 13.293 4.190 1.00 42.34 O ATOM 1341 ND2 ASN A 79 7.810 13.583 5.835 1.00 51.41 N ATOM 0 H ASN A 79 10.005 10.509 3.864 1.00 23.13 H new ATOM 0 HA ASN A 79 11.468 12.167 5.813 1.00 72.15 H new ATOM 0 HB2 ASN A 79 8.698 10.854 5.797 1.00 61.41 H new ATOM 0 HB3 ASN A 79 9.299 11.882 7.084 1.00 61.41 H new ATOM 0 HD21 ASN A 79 7.401 14.393 5.370 1.00 51.41 H new ATOM 0 HD22 ASN A 79 7.443 13.272 6.734 1.00 51.41 H new ATOM 1348 N PHE A 80 12.414 9.492 6.074 1.00 53.32 N ATOM 1349 CA PHE A 80 13.061 8.370 6.798 1.00 34.24 C ATOM 1350 C PHE A 80 13.769 8.850 8.092 1.00 54.20 C ATOM 1351 O PHE A 80 14.106 8.040 8.963 1.00 30.41 O ATOM 1352 CB PHE A 80 14.059 7.643 5.863 1.00 50.13 C ATOM 1353 CG PHE A 80 13.409 7.064 4.605 1.00 5.35 C ATOM 1354 CD1 PHE A 80 12.742 5.842 4.646 1.00 31.23 C ATOM 1355 CD2 PHE A 80 13.460 7.743 3.389 1.00 62.20 C ATOM 1356 CE1 PHE A 80 12.141 5.323 3.515 1.00 43.42 C ATOM 1357 CE2 PHE A 80 12.862 7.224 2.257 1.00 44.34 C ATOM 1358 CZ PHE A 80 12.204 6.013 2.317 1.00 63.40 C ATOM 0 H PHE A 80 12.872 9.722 5.192 1.00 53.32 H new ATOM 0 HA PHE A 80 12.281 7.671 7.100 1.00 34.24 H new ATOM 0 HB2 PHE A 80 14.843 8.341 5.569 1.00 50.13 H new ATOM 0 HB3 PHE A 80 14.541 6.837 6.416 1.00 50.13 H new ATOM 0 HD1 PHE A 80 12.694 5.292 5.574 1.00 31.23 H new ATOM 0 HD2 PHE A 80 13.975 8.690 3.331 1.00 62.20 H new ATOM 0 HE1 PHE A 80 11.621 4.378 3.566 1.00 43.42 H new ATOM 0 HE2 PHE A 80 12.910 7.767 1.324 1.00 44.34 H new ATOM 0 HZ PHE A 80 11.739 5.605 1.432 1.00 63.40 H new ATOM 1368 N LYS A 81 14.009 10.174 8.187 1.00 33.40 N ATOM 1369 CA LYS A 81 14.423 10.842 9.434 1.00 1.33 C ATOM 1370 C LYS A 81 13.345 10.668 10.534 1.00 72.40 C ATOM 1371 O LYS A 81 13.658 10.300 11.670 1.00 42.23 O ATOM 1372 CB LYS A 81 14.676 12.355 9.165 1.00 60.42 C ATOM 1373 CG LYS A 81 14.890 13.213 10.436 1.00 53.14 C ATOM 1374 CD LYS A 81 15.133 14.709 10.123 1.00 4.13 C ATOM 1375 CE LYS A 81 15.308 15.563 11.397 1.00 11.15 C ATOM 1376 NZ LYS A 81 15.493 17.007 11.086 1.00 73.53 N ATOM 0 H LYS A 81 13.920 10.811 7.396 1.00 33.40 H new ATOM 0 HA LYS A 81 15.347 10.381 9.785 1.00 1.33 H new ATOM 0 HB2 LYS A 81 15.553 12.454 8.525 1.00 60.42 H new ATOM 0 HB3 LYS A 81 13.829 12.758 8.610 1.00 60.42 H new ATOM 0 HG2 LYS A 81 14.017 13.120 11.082 1.00 53.14 H new ATOM 0 HG3 LYS A 81 15.741 12.821 10.993 1.00 53.14 H new ATOM 0 HD2 LYS A 81 16.022 14.806 9.500 1.00 4.13 H new ATOM 0 HD3 LYS A 81 14.295 15.096 9.544 1.00 4.13 H new ATOM 0 HE2 LYS A 81 14.434 15.440 12.037 1.00 11.15 H new ATOM 0 HE3 LYS A 81 16.169 15.201 11.959 1.00 11.15 H new ATOM 0 HZ1 LYS A 81 15.606 17.541 11.971 1.00 73.53 H new ATOM 0 HZ2 LYS A 81 16.341 17.129 10.497 1.00 73.53 H new ATOM 0 HZ3 LYS A 81 14.661 17.361 10.572 1.00 73.53 H new ATOM 1390 N THR A 82 12.080 10.921 10.158 1.00 23.45 N ATOM 1391 CA THR A 82 10.931 10.898 11.089 1.00 55.24 C ATOM 1392 C THR A 82 10.572 9.447 11.506 1.00 33.32 C ATOM 1393 O THR A 82 10.406 9.156 12.698 1.00 21.43 O ATOM 1394 CB THR A 82 9.691 11.604 10.443 1.00 11.01 C ATOM 1395 OG1 THR A 82 10.079 12.895 9.930 1.00 12.01 O ATOM 1396 CG2 THR A 82 8.542 11.798 11.446 1.00 52.44 C ATOM 0 H THR A 82 11.821 11.148 9.198 1.00 23.45 H new ATOM 0 HA THR A 82 11.217 11.443 11.988 1.00 55.24 H new ATOM 0 HB THR A 82 9.336 10.958 9.640 1.00 11.01 H new ATOM 0 HG1 THR A 82 9.302 13.333 9.525 1.00 12.01 H new ATOM 0 HG21 THR A 82 7.706 12.291 10.950 1.00 52.44 H new ATOM 0 HG22 THR A 82 8.219 10.827 11.822 1.00 52.44 H new ATOM 0 HG23 THR A 82 8.885 12.413 12.278 1.00 52.44 H new ATOM 1404 N SER A 83 10.460 8.542 10.515 1.00 2.23 N ATOM 1405 CA SER A 83 10.247 7.089 10.754 1.00 52.20 C ATOM 1406 C SER A 83 11.283 6.262 9.960 1.00 0.45 C ATOM 1407 O SER A 83 11.278 6.308 8.726 1.00 75.25 O ATOM 1408 CB SER A 83 8.812 6.654 10.361 1.00 33.11 C ATOM 1409 OG SER A 83 7.845 7.202 11.245 1.00 51.42 O ATOM 0 H SER A 83 10.513 8.790 9.527 1.00 2.23 H new ATOM 0 HA SER A 83 10.376 6.904 11.820 1.00 52.20 H new ATOM 0 HB2 SER A 83 8.599 6.975 9.341 1.00 33.11 H new ATOM 0 HB3 SER A 83 8.744 5.566 10.373 1.00 33.11 H new ATOM 0 HG SER A 83 7.267 6.486 11.582 1.00 51.42 H new ATOM 1415 N PRO A 84 12.189 5.488 10.647 1.00 74.04 N ATOM 1416 CA PRO A 84 13.239 4.689 9.961 1.00 34.14 C ATOM 1417 C PRO A 84 12.653 3.485 9.174 1.00 35.32 C ATOM 1418 O PRO A 84 11.655 2.884 9.591 1.00 72.12 O ATOM 1419 CB PRO A 84 14.153 4.230 11.128 1.00 4.12 C ATOM 1420 CG PRO A 84 13.244 4.191 12.324 1.00 25.24 C ATOM 1421 CD PRO A 84 12.259 5.328 12.131 1.00 11.54 C ATOM 0 HA PRO A 84 13.770 5.263 9.202 1.00 34.14 H new ATOM 0 HB2 PRO A 84 14.590 3.251 10.929 1.00 4.12 H new ATOM 0 HB3 PRO A 84 14.980 4.923 11.281 1.00 4.12 H new ATOM 0 HG2 PRO A 84 12.728 3.233 12.392 1.00 25.24 H new ATOM 0 HG3 PRO A 84 13.808 4.315 13.248 1.00 25.24 H new ATOM 0 HD2 PRO A 84 11.283 5.089 12.554 1.00 11.54 H new ATOM 0 HD3 PRO A 84 12.602 6.242 12.617 1.00 11.54 H new ATOM 1429 N LEU A 85 13.276 3.156 8.035 1.00 24.25 N ATOM 1430 CA LEU A 85 12.807 2.081 7.145 1.00 2.11 C ATOM 1431 C LEU A 85 13.218 0.674 7.674 1.00 32.50 C ATOM 1432 O LEU A 85 14.414 0.428 7.889 1.00 72.44 O ATOM 1433 CB LEU A 85 13.390 2.306 5.730 1.00 53.53 C ATOM 1434 CG LEU A 85 12.881 1.342 4.620 1.00 31.23 C ATOM 1435 CD1 LEU A 85 11.353 1.466 4.426 1.00 24.20 C ATOM 1436 CD2 LEU A 85 13.637 1.586 3.298 1.00 14.50 C ATOM 0 H LEU A 85 14.118 3.626 7.703 1.00 24.25 H new ATOM 0 HA LEU A 85 11.718 2.112 7.112 1.00 2.11 H new ATOM 0 HB2 LEU A 85 13.167 3.329 5.425 1.00 53.53 H new ATOM 0 HB3 LEU A 85 14.475 2.220 5.788 1.00 53.53 H new ATOM 0 HG LEU A 85 13.085 0.320 4.941 1.00 31.23 H new ATOM 0 HD11 LEU A 85 11.029 0.780 3.644 1.00 24.20 H new ATOM 0 HD12 LEU A 85 10.847 1.218 5.359 1.00 24.20 H new ATOM 0 HD13 LEU A 85 11.104 2.488 4.138 1.00 24.20 H new ATOM 0 HD21 LEU A 85 13.266 0.902 2.535 1.00 14.50 H new ATOM 0 HD22 LEU A 85 13.478 2.614 2.972 1.00 14.50 H new ATOM 0 HD23 LEU A 85 14.703 1.415 3.451 1.00 14.50 H new ATOM 1448 N PRO A 86 12.234 -0.267 7.901 1.00 10.32 N ATOM 1449 CA PRO A 86 12.531 -1.683 8.240 1.00 63.40 C ATOM 1450 C PRO A 86 13.170 -2.451 7.057 1.00 24.10 C ATOM 1451 O PRO A 86 12.872 -2.171 5.889 1.00 50.54 O ATOM 1452 CB PRO A 86 11.137 -2.277 8.619 1.00 51.01 C ATOM 1453 CG PRO A 86 10.260 -1.077 8.837 1.00 21.25 C ATOM 1454 CD PRO A 86 10.774 -0.033 7.875 1.00 63.12 C ATOM 0 HA PRO A 86 13.261 -1.765 9.045 1.00 63.40 H new ATOM 0 HB2 PRO A 86 10.748 -2.913 7.824 1.00 51.01 H new ATOM 0 HB3 PRO A 86 11.199 -2.891 9.517 1.00 51.01 H new ATOM 0 HG2 PRO A 86 9.214 -1.313 8.641 1.00 21.25 H new ATOM 0 HG3 PRO A 86 10.320 -0.727 9.868 1.00 21.25 H new ATOM 0 HD2 PRO A 86 10.360 -0.163 6.875 1.00 63.12 H new ATOM 0 HD3 PRO A 86 10.519 0.977 8.197 1.00 63.12 H new ATOM 1462 N ASP A 87 14.026 -3.439 7.382 1.00 42.33 N ATOM 1463 CA ASP A 87 14.795 -4.229 6.388 1.00 61.34 C ATOM 1464 C ASP A 87 13.883 -5.027 5.421 1.00 74.04 C ATOM 1465 O ASP A 87 14.224 -5.202 4.251 1.00 70.50 O ATOM 1466 CB ASP A 87 15.779 -5.168 7.121 1.00 61.14 C ATOM 1467 CG ASP A 87 16.812 -4.385 7.953 1.00 65.33 C ATOM 1468 OD1 ASP A 87 16.452 -3.864 9.030 1.00 24.41 O ATOM 1469 OD2 ASP A 87 17.978 -4.266 7.526 1.00 4.22 O ATOM 0 H ASP A 87 14.208 -3.717 8.346 1.00 42.33 H new ATOM 0 HA ASP A 87 15.353 -3.527 5.769 1.00 61.34 H new ATOM 0 HB2 ASP A 87 15.221 -5.839 7.774 1.00 61.14 H new ATOM 0 HB3 ASP A 87 16.298 -5.791 6.392 1.00 61.14 H new ATOM 1474 N LYS A 88 12.724 -5.486 5.935 1.00 1.32 N ATOM 1475 CA LYS A 88 11.678 -6.177 5.131 1.00 50.04 C ATOM 1476 C LYS A 88 11.153 -5.314 3.948 1.00 3.00 C ATOM 1477 O LYS A 88 10.729 -5.852 2.920 1.00 12.32 O ATOM 1478 CB LYS A 88 10.498 -6.591 6.057 1.00 64.34 C ATOM 1479 CG LYS A 88 9.844 -5.421 6.830 1.00 12.11 C ATOM 1480 CD LYS A 88 8.751 -5.851 7.851 1.00 60.44 C ATOM 1481 CE LYS A 88 7.426 -6.332 7.212 1.00 44.51 C ATOM 1482 NZ LYS A 88 7.544 -7.640 6.519 1.00 44.43 N ATOM 0 H LYS A 88 12.480 -5.391 6.921 1.00 1.32 H new ATOM 0 HA LYS A 88 12.140 -7.061 4.691 1.00 50.04 H new ATOM 0 HB2 LYS A 88 9.735 -7.082 5.453 1.00 64.34 H new ATOM 0 HB3 LYS A 88 10.858 -7.327 6.775 1.00 64.34 H new ATOM 0 HG2 LYS A 88 10.623 -4.873 7.360 1.00 12.11 H new ATOM 0 HG3 LYS A 88 9.401 -4.731 6.112 1.00 12.11 H new ATOM 0 HD2 LYS A 88 9.150 -6.651 8.475 1.00 60.44 H new ATOM 0 HD3 LYS A 88 8.537 -5.010 8.510 1.00 60.44 H new ATOM 0 HE2 LYS A 88 6.664 -6.408 7.988 1.00 44.51 H new ATOM 0 HE3 LYS A 88 7.082 -5.582 6.500 1.00 44.51 H new ATOM 0 HZ1 LYS A 88 6.680 -8.196 6.678 1.00 44.43 H new ATOM 0 HZ2 LYS A 88 7.671 -7.482 5.499 1.00 44.43 H new ATOM 0 HZ3 LYS A 88 8.364 -8.159 6.894 1.00 44.43 H new ATOM 1496 N TRP A 89 11.176 -3.974 4.109 1.00 0.20 N ATOM 1497 CA TRP A 89 10.761 -3.025 3.046 1.00 21.42 C ATOM 1498 C TRP A 89 11.981 -2.457 2.289 1.00 14.52 C ATOM 1499 O TRP A 89 11.867 -2.077 1.119 1.00 41.32 O ATOM 1500 CB TRP A 89 9.879 -1.893 3.637 1.00 32.23 C ATOM 1501 CG TRP A 89 8.631 -2.422 4.319 1.00 31.13 C ATOM 1502 CD1 TRP A 89 8.308 -2.332 5.647 1.00 72.53 C ATOM 1503 CD2 TRP A 89 7.558 -3.158 3.699 1.00 71.11 C ATOM 1504 NE1 TRP A 89 7.122 -2.973 5.886 1.00 1.35 N ATOM 1505 CE2 TRP A 89 6.640 -3.483 4.707 1.00 42.42 C ATOM 1506 CE3 TRP A 89 7.289 -3.575 2.387 1.00 61.44 C ATOM 1507 CZ2 TRP A 89 5.478 -4.205 4.449 1.00 33.24 C ATOM 1508 CZ3 TRP A 89 6.136 -4.288 2.130 1.00 41.41 C ATOM 1509 CH2 TRP A 89 5.244 -4.600 3.159 1.00 20.42 C ATOM 0 H TRP A 89 11.479 -3.519 4.970 1.00 0.20 H new ATOM 0 HA TRP A 89 10.161 -3.573 2.320 1.00 21.42 H new ATOM 0 HB2 TRP A 89 10.465 -1.318 4.354 1.00 32.23 H new ATOM 0 HB3 TRP A 89 9.590 -1.208 2.839 1.00 32.23 H new ATOM 0 HD1 TRP A 89 8.902 -1.829 6.396 1.00 72.53 H new ATOM 0 HE1 TRP A 89 6.669 -3.058 6.796 1.00 1.35 H new ATOM 0 HE3 TRP A 89 7.976 -3.341 1.587 1.00 61.44 H new ATOM 0 HZ2 TRP A 89 4.784 -4.446 5.241 1.00 33.24 H new ATOM 0 HZ3 TRP A 89 5.921 -4.609 1.121 1.00 41.41 H new ATOM 0 HH2 TRP A 89 4.352 -5.164 2.932 1.00 20.42 H new ATOM 1520 N ALA A 90 13.155 -2.449 2.948 1.00 42.54 N ATOM 1521 CA ALA A 90 14.437 -1.998 2.344 1.00 34.41 C ATOM 1522 C ALA A 90 14.828 -2.822 1.088 1.00 12.02 C ATOM 1523 O ALA A 90 15.567 -2.342 0.220 1.00 1.24 O ATOM 1524 CB ALA A 90 15.553 -2.073 3.395 1.00 42.12 C ATOM 0 H ALA A 90 13.248 -2.755 3.917 1.00 42.54 H new ATOM 0 HA ALA A 90 14.300 -0.968 2.015 1.00 34.41 H new ATOM 0 HB1 ALA A 90 16.493 -1.742 2.952 1.00 42.12 H new ATOM 0 HB2 ALA A 90 15.303 -1.429 4.238 1.00 42.12 H new ATOM 0 HB3 ALA A 90 15.657 -3.101 3.742 1.00 42.12 H new ATOM 1530 N ASN A 91 14.327 -4.066 1.012 1.00 4.53 N ATOM 1531 CA ASN A 91 14.570 -4.987 -0.126 1.00 44.51 C ATOM 1532 C ASN A 91 13.264 -5.323 -0.914 1.00 52.42 C ATOM 1533 O ASN A 91 13.284 -6.168 -1.816 1.00 13.51 O ATOM 1534 CB ASN A 91 15.267 -6.274 0.404 1.00 65.21 C ATOM 1535 CG ASN A 91 14.551 -6.916 1.601 1.00 35.04 C ATOM 1536 OD1 ASN A 91 13.327 -6.900 1.704 1.00 12.11 O ATOM 1537 ND2 ASN A 91 15.311 -7.461 2.532 1.00 11.12 N ATOM 0 H ASN A 91 13.737 -4.470 1.740 1.00 4.53 H new ATOM 0 HA ASN A 91 15.224 -4.488 -0.840 1.00 44.51 H new ATOM 0 HB2 ASN A 91 15.328 -7.002 -0.405 1.00 65.21 H new ATOM 0 HB3 ASN A 91 16.290 -6.030 0.692 1.00 65.21 H new ATOM 0 HD21 ASN A 91 14.884 -7.880 3.358 1.00 11.12 H new ATOM 0 HD22 ASN A 91 16.325 -7.463 2.426 1.00 11.12 H new ATOM 1544 N SER A 92 12.143 -4.649 -0.582 1.00 12.31 N ATOM 1545 CA SER A 92 10.825 -4.900 -1.236 1.00 22.34 C ATOM 1546 C SER A 92 10.624 -3.987 -2.466 1.00 61.03 C ATOM 1547 O SER A 92 10.899 -2.778 -2.400 1.00 41.12 O ATOM 1548 CB SER A 92 9.660 -4.666 -0.248 1.00 70.32 C ATOM 1549 OG SER A 92 9.458 -3.288 0.015 1.00 34.24 O ATOM 0 H SER A 92 12.116 -3.924 0.135 1.00 12.31 H new ATOM 0 HA SER A 92 10.826 -5.941 -1.558 1.00 22.34 H new ATOM 0 HB2 SER A 92 8.745 -5.095 -0.657 1.00 70.32 H new ATOM 0 HB3 SER A 92 9.867 -5.187 0.687 1.00 70.32 H new ATOM 0 HG SER A 92 10.297 -2.888 0.326 1.00 34.24 H new ATOM 1555 N LYS A 93 10.140 -4.567 -3.575 1.00 22.12 N ATOM 1556 CA LYS A 93 9.799 -3.806 -4.796 1.00 62.32 C ATOM 1557 C LYS A 93 8.539 -2.927 -4.576 1.00 54.22 C ATOM 1558 O LYS A 93 8.456 -1.808 -5.094 1.00 33.23 O ATOM 1559 CB LYS A 93 9.567 -4.774 -5.978 1.00 20.13 C ATOM 1560 CG LYS A 93 9.300 -4.076 -7.339 1.00 44.44 C ATOM 1561 CD LYS A 93 8.681 -5.022 -8.390 1.00 54.41 C ATOM 1562 CE LYS A 93 7.301 -5.557 -7.957 1.00 64.55 C ATOM 1563 NZ LYS A 93 6.661 -6.367 -9.017 1.00 74.13 N ATOM 0 H LYS A 93 9.973 -5.570 -3.655 1.00 22.12 H new ATOM 0 HA LYS A 93 10.636 -3.148 -5.028 1.00 62.32 H new ATOM 0 HB2 LYS A 93 10.440 -5.419 -6.080 1.00 20.13 H new ATOM 0 HB3 LYS A 93 8.720 -5.419 -5.742 1.00 20.13 H new ATOM 0 HG2 LYS A 93 8.632 -3.229 -7.182 1.00 44.44 H new ATOM 0 HG3 LYS A 93 10.237 -3.675 -7.726 1.00 44.44 H new ATOM 0 HD2 LYS A 93 8.582 -4.493 -9.338 1.00 54.41 H new ATOM 0 HD3 LYS A 93 9.355 -5.861 -8.562 1.00 54.41 H new ATOM 0 HE2 LYS A 93 7.413 -6.162 -7.057 1.00 64.55 H new ATOM 0 HE3 LYS A 93 6.652 -4.720 -7.700 1.00 64.55 H new ATOM 0 HZ1 LYS A 93 5.629 -6.351 -8.890 1.00 74.13 H new ATOM 0 HZ2 LYS A 93 6.902 -5.972 -9.949 1.00 74.13 H new ATOM 0 HZ3 LYS A 93 7.002 -7.348 -8.958 1.00 74.13 H new ATOM 1577 N LEU A 94 7.563 -3.464 -3.803 1.00 22.00 N ATOM 1578 CA LEU A 94 6.282 -2.775 -3.482 1.00 65.04 C ATOM 1579 C LEU A 94 6.504 -1.364 -2.891 1.00 44.31 C ATOM 1580 O LEU A 94 5.810 -0.409 -3.259 1.00 21.53 O ATOM 1581 CB LEU A 94 5.477 -3.608 -2.463 1.00 55.33 C ATOM 1582 CG LEU A 94 4.113 -2.998 -2.005 1.00 53.34 C ATOM 1583 CD1 LEU A 94 3.029 -3.116 -3.099 1.00 43.31 C ATOM 1584 CD2 LEU A 94 3.657 -3.607 -0.673 1.00 0.21 C ATOM 0 H LEU A 94 7.640 -4.390 -3.382 1.00 22.00 H new ATOM 0 HA LEU A 94 5.736 -2.673 -4.420 1.00 65.04 H new ATOM 0 HB2 LEU A 94 5.286 -4.590 -2.896 1.00 55.33 H new ATOM 0 HB3 LEU A 94 6.097 -3.764 -1.580 1.00 55.33 H new ATOM 0 HG LEU A 94 4.269 -1.932 -1.841 1.00 53.34 H new ATOM 0 HD11 LEU A 94 2.098 -2.679 -2.737 1.00 43.31 H new ATOM 0 HD12 LEU A 94 3.355 -2.585 -3.993 1.00 43.31 H new ATOM 0 HD13 LEU A 94 2.868 -4.167 -3.339 1.00 43.31 H new ATOM 0 HD21 LEU A 94 2.706 -3.165 -0.378 1.00 0.21 H new ATOM 0 HD22 LEU A 94 3.537 -4.684 -0.788 1.00 0.21 H new ATOM 0 HD23 LEU A 94 4.405 -3.405 0.094 1.00 0.21 H new ATOM 1596 N LEU A 95 7.461 -1.268 -1.951 1.00 41.21 N ATOM 1597 CA LEU A 95 7.856 0.016 -1.335 1.00 73.13 C ATOM 1598 C LEU A 95 8.275 1.054 -2.405 1.00 62.32 C ATOM 1599 O LEU A 95 7.864 2.219 -2.352 1.00 64.50 O ATOM 1600 CB LEU A 95 9.029 -0.191 -0.349 1.00 61.10 C ATOM 1601 CG LEU A 95 9.627 1.123 0.242 1.00 63.42 C ATOM 1602 CD1 LEU A 95 8.650 1.792 1.223 1.00 43.41 C ATOM 1603 CD2 LEU A 95 11.004 0.893 0.872 1.00 24.10 C ATOM 0 H LEU A 95 7.981 -2.071 -1.597 1.00 41.21 H new ATOM 0 HA LEU A 95 6.986 0.395 -0.798 1.00 73.13 H new ATOM 0 HB2 LEU A 95 8.687 -0.820 0.473 1.00 61.10 H new ATOM 0 HB3 LEU A 95 9.822 -0.737 -0.860 1.00 61.10 H new ATOM 0 HG LEU A 95 9.775 1.813 -0.588 1.00 63.42 H new ATOM 0 HD11 LEU A 95 9.097 2.705 1.617 1.00 43.41 H new ATOM 0 HD12 LEU A 95 7.723 2.037 0.704 1.00 43.41 H new ATOM 0 HD13 LEU A 95 8.436 1.109 2.045 1.00 43.41 H new ATOM 0 HD21 LEU A 95 11.383 1.834 1.271 1.00 24.10 H new ATOM 0 HD22 LEU A 95 10.918 0.165 1.679 1.00 24.10 H new ATOM 0 HD23 LEU A 95 11.692 0.516 0.115 1.00 24.10 H new ATOM 1615 N LYS A 96 9.094 0.605 -3.366 1.00 25.42 N ATOM 1616 CA LYS A 96 9.604 1.472 -4.445 1.00 75.43 C ATOM 1617 C LYS A 96 8.463 1.918 -5.387 1.00 32.41 C ATOM 1618 O LYS A 96 8.469 3.040 -5.873 1.00 14.51 O ATOM 1619 CB LYS A 96 10.728 0.765 -5.228 1.00 1.15 C ATOM 1620 CG LYS A 96 11.906 0.314 -4.337 1.00 22.11 C ATOM 1621 CD LYS A 96 13.152 -0.104 -5.143 1.00 2.31 C ATOM 1622 CE LYS A 96 13.786 1.075 -5.908 1.00 24.01 C ATOM 1623 NZ LYS A 96 15.060 0.696 -6.569 1.00 71.24 N ATOM 0 H LYS A 96 9.421 -0.360 -3.421 1.00 25.42 H new ATOM 0 HA LYS A 96 10.024 2.368 -3.988 1.00 75.43 H new ATOM 0 HB2 LYS A 96 10.314 -0.105 -5.738 1.00 1.15 H new ATOM 0 HB3 LYS A 96 11.102 1.438 -5.999 1.00 1.15 H new ATOM 0 HG2 LYS A 96 12.174 1.126 -3.662 1.00 22.11 H new ATOM 0 HG3 LYS A 96 11.585 -0.523 -3.717 1.00 22.11 H new ATOM 0 HD2 LYS A 96 13.891 -0.533 -4.466 1.00 2.31 H new ATOM 0 HD3 LYS A 96 12.877 -0.886 -5.851 1.00 2.31 H new ATOM 0 HE2 LYS A 96 13.084 1.438 -6.658 1.00 24.01 H new ATOM 0 HE3 LYS A 96 13.968 1.898 -5.217 1.00 24.01 H new ATOM 0 HZ1 LYS A 96 15.449 1.520 -7.071 1.00 71.24 H new ATOM 0 HZ2 LYS A 96 15.741 0.374 -5.852 1.00 71.24 H new ATOM 0 HZ3 LYS A 96 14.884 -0.071 -7.248 1.00 71.24 H new ATOM 1637 N GLN A 97 7.472 1.031 -5.591 1.00 1.04 N ATOM 1638 CA GLN A 97 6.237 1.342 -6.352 1.00 3.41 C ATOM 1639 C GLN A 97 5.375 2.398 -5.619 1.00 2.24 C ATOM 1640 O GLN A 97 4.753 3.248 -6.251 1.00 64.23 O ATOM 1641 CB GLN A 97 5.405 0.049 -6.573 1.00 40.52 C ATOM 1642 CG GLN A 97 6.102 -1.042 -7.408 1.00 14.00 C ATOM 1643 CD GLN A 97 6.421 -0.599 -8.840 1.00 22.41 C ATOM 1644 OE1 GLN A 97 5.609 -0.749 -9.748 1.00 25.11 O ATOM 1645 NE2 GLN A 97 7.598 -0.054 -9.053 1.00 30.13 N ATOM 0 H GLN A 97 7.500 0.076 -5.234 1.00 1.04 H new ATOM 0 HA GLN A 97 6.534 1.753 -7.317 1.00 3.41 H new ATOM 0 HB2 GLN A 97 5.147 -0.369 -5.600 1.00 40.52 H new ATOM 0 HB3 GLN A 97 4.469 0.317 -7.063 1.00 40.52 H new ATOM 0 HG2 GLN A 97 7.027 -1.334 -6.911 1.00 14.00 H new ATOM 0 HG3 GLN A 97 5.465 -1.926 -7.442 1.00 14.00 H new ATOM 0 HE21 GLN A 97 8.255 0.059 -8.281 1.00 30.13 H new ATOM 0 HE22 GLN A 97 7.855 0.256 -9.990 1.00 30.13 H new ATOM 1654 N LEU A 98 5.339 2.307 -4.276 1.00 33.45 N ATOM 1655 CA LEU A 98 4.597 3.249 -3.401 1.00 74.10 C ATOM 1656 C LEU A 98 5.241 4.659 -3.443 1.00 3.23 C ATOM 1657 O LEU A 98 4.543 5.677 -3.464 1.00 63.10 O ATOM 1658 CB LEU A 98 4.570 2.693 -1.948 1.00 32.23 C ATOM 1659 CG LEU A 98 3.725 3.491 -0.905 1.00 72.44 C ATOM 1660 CD1 LEU A 98 2.220 3.476 -1.259 1.00 44.43 C ATOM 1661 CD2 LEU A 98 3.980 2.965 0.529 1.00 12.12 C ATOM 0 H LEU A 98 5.826 1.574 -3.759 1.00 33.45 H new ATOM 0 HA LEU A 98 3.573 3.343 -3.763 1.00 74.10 H new ATOM 0 HB2 LEU A 98 4.191 1.671 -1.982 1.00 32.23 H new ATOM 0 HB3 LEU A 98 5.596 2.641 -1.585 1.00 32.23 H new ATOM 0 HG LEU A 98 4.049 4.531 -0.940 1.00 72.44 H new ATOM 0 HD11 LEU A 98 1.665 4.041 -0.511 1.00 44.43 H new ATOM 0 HD12 LEU A 98 2.072 3.929 -2.239 1.00 44.43 H new ATOM 0 HD13 LEU A 98 1.861 2.447 -1.277 1.00 44.43 H new ATOM 0 HD21 LEU A 98 3.381 3.536 1.238 1.00 12.12 H new ATOM 0 HD22 LEU A 98 3.703 1.912 0.585 1.00 12.12 H new ATOM 0 HD23 LEU A 98 5.036 3.076 0.775 1.00 12.12 H new ATOM 1673 N GLN A 99 6.585 4.681 -3.458 1.00 31.41 N ATOM 1674 CA GLN A 99 7.396 5.908 -3.627 1.00 64.12 C ATOM 1675 C GLN A 99 7.199 6.534 -5.028 1.00 32.10 C ATOM 1676 O GLN A 99 7.058 7.757 -5.154 1.00 53.31 O ATOM 1677 CB GLN A 99 8.895 5.586 -3.378 1.00 24.42 C ATOM 1678 CG GLN A 99 9.243 5.304 -1.902 1.00 24.12 C ATOM 1679 CD GLN A 99 10.677 4.822 -1.663 1.00 35.43 C ATOM 1680 OE1 GLN A 99 11.586 5.091 -2.443 1.00 63.21 O ATOM 1681 NE2 GLN A 99 10.898 4.158 -0.550 1.00 22.42 N ATOM 0 H GLN A 99 7.150 3.838 -3.352 1.00 31.41 H new ATOM 0 HA GLN A 99 7.059 6.641 -2.894 1.00 64.12 H new ATOM 0 HB2 GLN A 99 9.174 4.719 -3.978 1.00 24.42 H new ATOM 0 HB3 GLN A 99 9.498 6.423 -3.729 1.00 24.42 H new ATOM 0 HG2 GLN A 99 9.079 6.214 -1.324 1.00 24.12 H new ATOM 0 HG3 GLN A 99 8.553 4.553 -1.517 1.00 24.12 H new ATOM 0 HE21 GLN A 99 10.124 3.948 0.081 1.00 22.42 H new ATOM 0 HE22 GLN A 99 11.843 3.853 -0.317 1.00 22.42 H new ATOM 1690 N GLU A 100 7.189 5.684 -6.069 1.00 22.31 N ATOM 1691 CA GLU A 100 6.941 6.118 -7.458 1.00 54.42 C ATOM 1692 C GLU A 100 5.537 6.742 -7.587 1.00 50.32 C ATOM 1693 O GLU A 100 5.405 7.850 -8.075 1.00 72.22 O ATOM 1694 CB GLU A 100 7.130 4.938 -8.450 1.00 3.45 C ATOM 1695 CG GLU A 100 8.607 4.504 -8.631 1.00 62.42 C ATOM 1696 CD GLU A 100 8.799 3.224 -9.470 1.00 43.53 C ATOM 1697 OE1 GLU A 100 8.454 3.231 -10.675 1.00 32.43 O ATOM 1698 OE2 GLU A 100 9.299 2.210 -8.930 1.00 32.42 O ATOM 0 H GLU A 100 7.352 4.681 -5.974 1.00 22.31 H new ATOM 0 HA GLU A 100 7.673 6.883 -7.716 1.00 54.42 H new ATOM 0 HB2 GLU A 100 6.550 4.084 -8.099 1.00 3.45 H new ATOM 0 HB3 GLU A 100 6.723 5.222 -9.420 1.00 3.45 H new ATOM 0 HG2 GLU A 100 9.157 5.318 -9.103 1.00 62.42 H new ATOM 0 HG3 GLU A 100 9.050 4.348 -7.647 1.00 62.42 H new ATOM 1705 N PHE A 101 4.506 6.049 -7.087 1.00 63.33 N ATOM 1706 CA PHE A 101 3.123 6.573 -7.092 1.00 0.45 C ATOM 1707 C PHE A 101 3.005 7.877 -6.259 1.00 50.20 C ATOM 1708 O PHE A 101 2.253 8.780 -6.630 1.00 70.03 O ATOM 1709 CB PHE A 101 2.113 5.520 -6.574 1.00 15.12 C ATOM 1710 CG PHE A 101 0.662 6.006 -6.644 1.00 33.33 C ATOM 1711 CD1 PHE A 101 0.049 6.202 -7.881 1.00 40.52 C ATOM 1712 CD2 PHE A 101 -0.063 6.326 -5.491 1.00 41.35 C ATOM 1713 CE1 PHE A 101 -1.236 6.689 -7.966 1.00 63.54 C ATOM 1714 CE2 PHE A 101 -1.351 6.824 -5.583 1.00 50.42 C ATOM 1715 CZ PHE A 101 -1.935 7.003 -6.825 1.00 25.33 C ATOM 0 H PHE A 101 4.598 5.122 -6.672 1.00 63.33 H new ATOM 0 HA PHE A 101 2.878 6.803 -8.129 1.00 0.45 H new ATOM 0 HB2 PHE A 101 2.214 4.607 -7.160 1.00 15.12 H new ATOM 0 HB3 PHE A 101 2.357 5.266 -5.543 1.00 15.12 H new ATOM 0 HD1 PHE A 101 0.590 5.968 -8.786 1.00 40.52 H new ATOM 0 HD2 PHE A 101 0.387 6.183 -4.520 1.00 41.35 H new ATOM 0 HE1 PHE A 101 -1.697 6.825 -8.933 1.00 63.54 H new ATOM 0 HE2 PHE A 101 -1.900 7.073 -4.687 1.00 50.42 H new ATOM 0 HZ PHE A 101 -2.941 7.390 -6.898 1.00 25.33 H new ATOM 1725 N SER A 102 3.757 7.959 -5.145 1.00 60.33 N ATOM 1726 CA SER A 102 3.756 9.146 -4.253 1.00 64.24 C ATOM 1727 C SER A 102 4.113 10.451 -5.017 1.00 21.44 C ATOM 1728 O SER A 102 3.469 11.485 -4.816 1.00 2.10 O ATOM 1729 CB SER A 102 4.718 8.930 -3.066 1.00 22.14 C ATOM 1730 OG SER A 102 4.710 10.025 -2.160 1.00 24.55 O ATOM 0 H SER A 102 4.380 7.213 -4.835 1.00 60.33 H new ATOM 0 HA SER A 102 2.743 9.264 -3.869 1.00 64.24 H new ATOM 0 HB2 SER A 102 4.438 8.020 -2.535 1.00 22.14 H new ATOM 0 HB3 SER A 102 5.730 8.781 -3.443 1.00 22.14 H new ATOM 0 HG SER A 102 5.331 9.845 -1.424 1.00 24.55 H new ATOM 1736 N GLU A 103 5.122 10.391 -5.915 1.00 54.34 N ATOM 1737 CA GLU A 103 5.454 11.530 -6.812 1.00 2.11 C ATOM 1738 C GLU A 103 4.510 11.583 -8.049 1.00 24.43 C ATOM 1739 O GLU A 103 4.253 12.662 -8.589 1.00 62.45 O ATOM 1740 CB GLU A 103 6.940 11.490 -7.269 1.00 23.00 C ATOM 1741 CG GLU A 103 7.343 10.251 -8.089 1.00 53.12 C ATOM 1742 CD GLU A 103 8.759 10.338 -8.683 1.00 2.13 C ATOM 1743 OE1 GLU A 103 9.738 10.361 -7.898 1.00 12.32 O ATOM 1744 OE2 GLU A 103 8.905 10.355 -9.929 1.00 63.23 O ATOM 0 H GLU A 103 5.719 9.574 -6.040 1.00 54.34 H new ATOM 0 HA GLU A 103 5.303 12.439 -6.230 1.00 2.11 H new ATOM 0 HB2 GLU A 103 7.144 12.381 -7.863 1.00 23.00 H new ATOM 0 HB3 GLU A 103 7.576 11.543 -6.386 1.00 23.00 H new ATOM 0 HG2 GLU A 103 7.279 9.368 -7.453 1.00 53.12 H new ATOM 0 HG3 GLU A 103 6.626 10.113 -8.899 1.00 53.12 H new ATOM 1751 N ASN A 104 3.993 10.413 -8.494 1.00 72.32 N ATOM 1752 CA ASN A 104 3.083 10.321 -9.676 1.00 42.13 C ATOM 1753 C ASN A 104 1.586 10.559 -9.302 1.00 31.15 C ATOM 1754 O ASN A 104 0.688 10.282 -10.113 1.00 62.11 O ATOM 1755 CB ASN A 104 3.245 8.947 -10.397 1.00 5.43 C ATOM 1756 CG ASN A 104 4.684 8.588 -10.831 1.00 71.21 C ATOM 1757 OD1 ASN A 104 5.560 9.561 -11.008 1.00 25.23 O flip ATOM 1758 ND2 ASN A 104 5.018 7.416 -10.973 1.00 64.13 N flip ATOM 0 H ASN A 104 4.188 9.513 -8.055 1.00 72.32 H new ATOM 0 HA ASN A 104 3.378 11.120 -10.357 1.00 42.13 H new ATOM 0 HB2 ASN A 104 2.878 8.163 -9.734 1.00 5.43 H new ATOM 0 HB3 ASN A 104 2.606 8.942 -11.280 1.00 5.43 H new ATOM 0 HD21 ASN A 104 4.335 6.671 -10.834 1.00 64.13 H new ATOM 0 HD22 ASN A 104 5.978 7.187 -11.230 1.00 64.13 H new