USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=24 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 82 THR OG1 : rot 173:sc= 0.714 USER MOD Set 1.2: A 83 SER OG : rot 160:sc= 0 USER MOD Set 2.1: A 77 THR OG1 : rot -170:sc= -0.644 USER MOD Set 2.2: A 79 ASN : amide:sc= 0 X(o=-0.64,f=-0.72) USER MOD Set 3.1: A 28 TYR OH : rot 180:sc= 0.629 USER MOD Set 3.2: A 32 LYS NZ :NH3+ 166:sc= 0.706 (180deg=0) USER MOD Set 4.1: A 30 SER OG : rot -26:sc= 1.05 USER MOD Set 4.2: A 61 TYR OH : rot 30:sc= -0.502 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 152:sc= -0.0871 (180deg=-0.594) USER MOD Single : A 29 GLN :FLIP amide:sc= 0.0967 F(o=-3.3!,f=0.097) USER MOD Single : A 38 THR OG1 : rot -121:sc= 0.364 USER MOD Single : A 43 SER OG : rot 180:sc= -0.59 USER MOD Single : A 48 LYS NZ :NH3+ 149:sc= 0.173 (180deg=-0.103) USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 140:sc= 0.0953 (180deg=-0.044) USER MOD Single : A 52 LYS NZ :NH3+ -169:sc=-0.00321 (180deg=-0.127) USER MOD Single : A 53 MET CE :methyl -174:sc= 0 (180deg=-0.0528) USER MOD Single : A 54 ASN : amide:sc= 0.12 K(o=0.12,f=-1.7) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.005) USER MOD Single : A 73 TYR OH : rot 28:sc= 0.361 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 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 88 LYS NZ :NH3+ 169:sc= 0.0825 (180deg=-0.146) USER MOD Single : A 91 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.0025) USER MOD Single : A 92 SER OG : rot 179:sc= 0.00802 USER MOD Single : A 93 LYS NZ :NH3+ 168:sc= -0.221 (180deg=-0.617) USER MOD Single : A 96 LYS NZ :NH3+ -166:sc= -0.0229 (180deg=-0.213) USER MOD Single : A 97 GLN : amide:sc= 0.0659 X(o=0.066,f=-0.2) USER MOD Single : A 99 GLN : amide:sc= -0.587 X(o=-0.59,f=-0.31) USER MOD Single : A 102 SER OG : rot -92:sc= 0.285 USER MOD Single : A 104 ASN : amide:sc= 0.457 X(o=0.46,f=0) USER MOD ----------------------------------------------------------------- ATOM 322 N ASP A 20 -9.824 -11.815 -7.697 1.00 31.24 N ATOM 323 CA ASP A 20 -10.415 -10.471 -7.906 1.00 54.41 C ATOM 324 C ASP A 20 -11.216 -9.978 -6.672 1.00 12.41 C ATOM 325 O ASP A 20 -11.278 -8.769 -6.413 1.00 44.02 O ATOM 326 CB ASP A 20 -11.279 -10.460 -9.188 1.00 21.34 C ATOM 327 CG ASP A 20 -10.418 -10.618 -10.454 1.00 22.31 C ATOM 328 OD1 ASP A 20 -9.828 -9.610 -10.913 1.00 1.43 O ATOM 329 OD2 ASP A 20 -10.292 -11.750 -10.971 1.00 50.42 O ATOM 0 HA ASP A 20 -9.594 -9.766 -8.036 1.00 54.41 H new ATOM 0 HB2 ASP A 20 -12.010 -11.267 -9.142 1.00 21.34 H new ATOM 0 HB3 ASP A 20 -11.838 -9.526 -9.242 1.00 21.34 H new ATOM 334 N LYS A 21 -11.824 -10.912 -5.905 1.00 40.31 N ATOM 335 CA LYS A 21 -12.485 -10.565 -4.619 1.00 44.34 C ATOM 336 C LYS A 21 -11.444 -10.238 -3.516 1.00 10.13 C ATOM 337 O LYS A 21 -11.706 -9.403 -2.645 1.00 51.11 O ATOM 338 CB LYS A 21 -13.439 -11.689 -4.150 1.00 61.34 C ATOM 339 CG LYS A 21 -14.662 -11.921 -5.066 1.00 54.20 C ATOM 340 CD LYS A 21 -15.748 -12.775 -4.374 1.00 61.11 C ATOM 341 CE LYS A 21 -16.954 -13.062 -5.280 1.00 10.41 C ATOM 342 NZ LYS A 21 -18.013 -13.811 -4.563 1.00 60.04 N ATOM 0 H LYS A 21 -11.872 -11.902 -6.148 1.00 40.31 H new ATOM 0 HA LYS A 21 -13.081 -9.670 -4.797 1.00 44.34 H new ATOM 0 HB2 LYS A 21 -12.875 -12.619 -4.077 1.00 61.34 H new ATOM 0 HB3 LYS A 21 -13.793 -11.452 -3.147 1.00 61.34 H new ATOM 0 HG2 LYS A 21 -15.086 -10.960 -5.355 1.00 54.20 H new ATOM 0 HG3 LYS A 21 -14.340 -12.416 -5.982 1.00 54.20 H new ATOM 0 HD2 LYS A 21 -15.309 -13.720 -4.052 1.00 61.11 H new ATOM 0 HD3 LYS A 21 -16.090 -12.260 -3.476 1.00 61.11 H new ATOM 0 HE2 LYS A 21 -17.362 -12.122 -5.652 1.00 10.41 H new ATOM 0 HE3 LYS A 21 -16.628 -13.634 -6.149 1.00 10.41 H new ATOM 0 HZ1 LYS A 21 -18.811 -13.986 -5.207 1.00 60.04 H new ATOM 0 HZ2 LYS A 21 -17.631 -14.719 -4.230 1.00 60.04 H new ATOM 0 HZ3 LYS A 21 -18.341 -13.254 -3.748 1.00 60.04 H new ATOM 356 N LYS A 22 -10.270 -10.903 -3.568 1.00 61.24 N ATOM 357 CA LYS A 22 -9.119 -10.587 -2.686 1.00 24.04 C ATOM 358 C LYS A 22 -8.590 -9.188 -3.011 1.00 21.04 C ATOM 359 O LYS A 22 -8.361 -8.377 -2.115 1.00 1.44 O ATOM 360 CB LYS A 22 -7.961 -11.602 -2.867 1.00 5.14 C ATOM 361 CG LYS A 22 -6.733 -11.295 -1.977 1.00 65.15 C ATOM 362 CD LYS A 22 -5.536 -12.219 -2.246 1.00 34.20 C ATOM 363 CE LYS A 22 -4.407 -12.017 -1.223 1.00 42.12 C ATOM 364 NZ LYS A 22 -4.886 -12.218 0.178 1.00 1.12 N ATOM 0 H LYS A 22 -10.091 -11.669 -4.217 1.00 61.24 H new ATOM 0 HA LYS A 22 -9.472 -10.639 -1.656 1.00 24.04 H new ATOM 0 HB2 LYS A 22 -8.326 -12.603 -2.638 1.00 5.14 H new ATOM 0 HB3 LYS A 22 -7.651 -11.607 -3.912 1.00 5.14 H new ATOM 0 HG2 LYS A 22 -6.427 -10.261 -2.137 1.00 65.15 H new ATOM 0 HG3 LYS A 22 -7.022 -11.383 -0.930 1.00 65.15 H new ATOM 0 HD2 LYS A 22 -5.867 -13.257 -2.219 1.00 34.20 H new ATOM 0 HD3 LYS A 22 -5.153 -12.032 -3.249 1.00 34.20 H new ATOM 0 HE2 LYS A 22 -3.596 -12.715 -1.434 1.00 42.12 H new ATOM 0 HE3 LYS A 22 -3.998 -11.012 -1.327 1.00 42.12 H new ATOM 0 HZ1 LYS A 22 -4.096 -12.543 0.772 1.00 1.12 H new ATOM 0 HZ2 LYS A 22 -5.253 -11.320 0.552 1.00 1.12 H new ATOM 0 HZ3 LYS A 22 -5.642 -12.932 0.187 1.00 1.12 H new ATOM 378 N ARG A 23 -8.390 -8.957 -4.322 1.00 53.15 N ATOM 379 CA ARG A 23 -7.936 -7.675 -4.893 1.00 4.24 C ATOM 380 C ARG A 23 -8.784 -6.512 -4.333 1.00 10.34 C ATOM 381 O ARG A 23 -8.256 -5.555 -3.776 1.00 4.31 O ATOM 382 CB ARG A 23 -8.061 -7.760 -6.440 1.00 51.32 C ATOM 383 CG ARG A 23 -7.339 -6.658 -7.240 1.00 50.24 C ATOM 384 CD ARG A 23 -7.686 -6.695 -8.750 1.00 24.05 C ATOM 385 NE ARG A 23 -7.666 -8.064 -9.326 1.00 30.45 N ATOM 386 CZ ARG A 23 -6.650 -8.645 -9.941 1.00 14.35 C ATOM 387 NH1 ARG A 23 -5.487 -8.074 -10.041 1.00 65.24 N ATOM 388 NH2 ARG A 23 -6.814 -9.814 -10.462 1.00 25.31 N ATOM 0 H ARG A 23 -8.543 -9.674 -5.031 1.00 53.15 H new ATOM 0 HA ARG A 23 -6.898 -7.486 -4.621 1.00 4.24 H new ATOM 0 HB2 ARG A 23 -7.675 -8.727 -6.763 1.00 51.32 H new ATOM 0 HB3 ARG A 23 -9.119 -7.736 -6.701 1.00 51.32 H new ATOM 0 HG2 ARG A 23 -7.607 -5.683 -6.833 1.00 50.24 H new ATOM 0 HG3 ARG A 23 -6.262 -6.770 -7.115 1.00 50.24 H new ATOM 0 HD2 ARG A 23 -8.675 -6.260 -8.899 1.00 24.05 H new ATOM 0 HD3 ARG A 23 -6.978 -6.070 -9.294 1.00 24.05 H new ATOM 0 HE ARG A 23 -8.522 -8.611 -9.238 1.00 30.45 H new ATOM 0 HH11 ARG A 23 -5.337 -7.149 -9.638 1.00 65.24 H new ATOM 0 HH12 ARG A 23 -4.725 -8.551 -10.522 1.00 65.24 H new ATOM 0 HH21 ARG A 23 -7.719 -10.279 -10.397 1.00 25.31 H new ATOM 0 HH22 ARG A 23 -6.038 -10.273 -10.939 1.00 25.31 H new ATOM 402 N ALA A 24 -10.117 -6.675 -4.426 1.00 0.31 N ATOM 403 CA ALA A 24 -11.102 -5.707 -3.899 1.00 10.45 C ATOM 404 C ALA A 24 -11.032 -5.569 -2.351 1.00 4.53 C ATOM 405 O ALA A 24 -11.170 -4.467 -1.815 1.00 1.21 O ATOM 406 CB ALA A 24 -12.516 -6.128 -4.327 1.00 64.41 C ATOM 0 H ALA A 24 -10.545 -7.487 -4.871 1.00 0.31 H new ATOM 0 HA ALA A 24 -10.859 -4.730 -4.317 1.00 10.45 H new ATOM 0 HB1 ALA A 24 -13.242 -5.414 -3.938 1.00 64.41 H new ATOM 0 HB2 ALA A 24 -12.575 -6.150 -5.415 1.00 64.41 H new ATOM 0 HB3 ALA A 24 -12.736 -7.120 -3.932 1.00 64.41 H new ATOM 412 N ARG A 25 -10.856 -6.707 -1.648 1.00 54.34 N ATOM 413 CA ARG A 25 -10.792 -6.750 -0.157 1.00 3.32 C ATOM 414 C ARG A 25 -9.539 -6.003 0.383 1.00 74.14 C ATOM 415 O ARG A 25 -9.582 -5.399 1.462 1.00 41.11 O ATOM 416 CB ARG A 25 -10.846 -8.238 0.328 1.00 73.32 C ATOM 417 CG ARG A 25 -11.055 -8.459 1.861 1.00 52.03 C ATOM 418 CD ARG A 25 -9.743 -8.563 2.671 1.00 72.44 C ATOM 419 NE ARG A 25 -8.947 -9.748 2.293 1.00 33.05 N ATOM 420 CZ ARG A 25 -7.688 -9.951 2.614 1.00 11.42 C ATOM 421 NH1 ARG A 25 -7.001 -9.053 3.258 1.00 62.43 N ATOM 422 NH2 ARG A 25 -7.113 -11.059 2.281 1.00 2.21 N ATOM 0 H ARG A 25 -10.754 -7.622 -2.087 1.00 54.34 H new ATOM 0 HA ARG A 25 -11.657 -6.226 0.249 1.00 3.32 H new ATOM 0 HB2 ARG A 25 -11.653 -8.742 -0.204 1.00 73.32 H new ATOM 0 HB3 ARG A 25 -9.917 -8.727 0.035 1.00 73.32 H new ATOM 0 HG2 ARG A 25 -11.649 -7.636 2.258 1.00 52.03 H new ATOM 0 HG3 ARG A 25 -11.634 -9.371 2.010 1.00 52.03 H new ATOM 0 HD2 ARG A 25 -9.149 -7.663 2.514 1.00 72.44 H new ATOM 0 HD3 ARG A 25 -9.977 -8.609 3.735 1.00 72.44 H new ATOM 0 HE ARG A 25 -9.411 -10.467 1.738 1.00 33.05 H new ATOM 0 HH11 ARG A 25 -7.438 -8.171 3.524 1.00 62.43 H new ATOM 0 HH12 ARG A 25 -6.026 -9.232 3.497 1.00 62.43 H new ATOM 0 HH21 ARG A 25 -7.635 -11.772 1.771 1.00 2.21 H new ATOM 0 HH22 ARG A 25 -6.137 -11.221 2.528 1.00 2.21 H new ATOM 436 N LEU A 26 -8.435 -6.048 -0.384 1.00 11.12 N ATOM 437 CA LEU A 26 -7.195 -5.312 -0.053 1.00 71.03 C ATOM 438 C LEU A 26 -7.393 -3.784 -0.255 1.00 42.03 C ATOM 439 O LEU A 26 -6.976 -2.977 0.586 1.00 33.00 O ATOM 440 CB LEU A 26 -6.020 -5.812 -0.923 1.00 13.54 C ATOM 441 CG LEU A 26 -5.653 -7.327 -0.827 1.00 13.11 C ATOM 442 CD1 LEU A 26 -4.578 -7.703 -1.866 1.00 2.22 C ATOM 443 CD2 LEU A 26 -5.210 -7.687 0.604 1.00 32.23 C ATOM 0 H LEU A 26 -8.374 -6.591 -1.245 1.00 11.12 H new ATOM 0 HA LEU A 26 -6.960 -5.497 0.995 1.00 71.03 H new ATOM 0 HB2 LEU A 26 -6.251 -5.586 -1.964 1.00 13.54 H new ATOM 0 HB3 LEU A 26 -5.135 -5.233 -0.660 1.00 13.54 H new ATOM 0 HG LEU A 26 -6.544 -7.912 -1.057 1.00 13.11 H new ATOM 0 HD11 LEU A 26 -4.341 -8.763 -1.777 1.00 2.22 H new ATOM 0 HD12 LEU A 26 -4.953 -7.498 -2.869 1.00 2.22 H new ATOM 0 HD13 LEU A 26 -3.678 -7.114 -1.688 1.00 2.22 H new ATOM 0 HD21 LEU A 26 -4.958 -8.747 0.651 1.00 32.23 H new ATOM 0 HD22 LEU A 26 -4.336 -7.094 0.874 1.00 32.23 H new ATOM 0 HD23 LEU A 26 -6.022 -7.475 1.300 1.00 32.23 H new ATOM 455 N ILE A 27 -8.014 -3.416 -1.404 1.00 40.33 N ATOM 456 CA ILE A 27 -8.441 -2.020 -1.706 1.00 35.45 C ATOM 457 C ILE A 27 -9.348 -1.443 -0.577 1.00 23.13 C ATOM 458 O ILE A 27 -9.213 -0.288 -0.188 1.00 42.13 O ATOM 459 CB ILE A 27 -9.208 -1.939 -3.091 1.00 51.41 C ATOM 460 CG1 ILE A 27 -8.325 -2.470 -4.266 1.00 21.20 C ATOM 461 CG2 ILE A 27 -9.694 -0.496 -3.392 1.00 21.53 C ATOM 462 CD1 ILE A 27 -9.017 -2.550 -5.623 1.00 44.30 C ATOM 0 H ILE A 27 -8.234 -4.077 -2.149 1.00 40.33 H new ATOM 0 HA ILE A 27 -7.533 -1.420 -1.768 1.00 35.45 H new ATOM 0 HB ILE A 27 -10.085 -2.581 -3.005 1.00 51.41 H new ATOM 0 HG12 ILE A 27 -7.451 -1.825 -4.361 1.00 21.20 H new ATOM 0 HG13 ILE A 27 -7.961 -3.464 -4.004 1.00 21.20 H new ATOM 0 HG21 ILE A 27 -10.215 -0.480 -4.349 1.00 21.53 H new ATOM 0 HG22 ILE A 27 -10.372 -0.169 -2.604 1.00 21.53 H new ATOM 0 HG23 ILE A 27 -8.836 0.175 -3.434 1.00 21.53 H new ATOM 0 HD11 ILE A 27 -8.317 -2.930 -6.367 1.00 44.30 H new ATOM 0 HD12 ILE A 27 -9.874 -3.220 -5.555 1.00 44.30 H new ATOM 0 HD13 ILE A 27 -9.356 -1.557 -5.918 1.00 44.30 H new ATOM 474 N TYR A 28 -10.255 -2.284 -0.057 1.00 3.02 N ATOM 475 CA TYR A 28 -11.171 -1.926 1.056 1.00 43.01 C ATOM 476 C TYR A 28 -10.395 -1.500 2.336 1.00 42.22 C ATOM 477 O TYR A 28 -10.661 -0.435 2.913 1.00 22.44 O ATOM 478 CB TYR A 28 -12.118 -3.132 1.339 1.00 55.31 C ATOM 479 CG TYR A 28 -12.860 -3.098 2.689 1.00 53.42 C ATOM 480 CD1 TYR A 28 -13.872 -2.166 2.943 1.00 11.44 C ATOM 481 CD2 TYR A 28 -12.525 -3.989 3.719 1.00 13.13 C ATOM 482 CE1 TYR A 28 -14.519 -2.132 4.163 1.00 5.21 C ATOM 483 CE2 TYR A 28 -13.168 -3.950 4.939 1.00 1.23 C ATOM 484 CZ TYR A 28 -14.162 -3.021 5.158 1.00 25.42 C ATOM 485 OH TYR A 28 -14.791 -2.973 6.385 1.00 51.31 O ATOM 0 H TYR A 28 -10.381 -3.239 -0.393 1.00 3.02 H new ATOM 0 HA TYR A 28 -11.764 -1.061 0.759 1.00 43.01 H new ATOM 0 HB2 TYR A 28 -12.858 -3.184 0.540 1.00 55.31 H new ATOM 0 HB3 TYR A 28 -11.532 -4.050 1.291 1.00 55.31 H new ATOM 0 HD1 TYR A 28 -14.152 -1.462 2.173 1.00 11.44 H new ATOM 0 HD2 TYR A 28 -11.748 -4.721 3.554 1.00 13.13 H new ATOM 0 HE1 TYR A 28 -15.303 -1.411 4.339 1.00 5.21 H new ATOM 0 HE2 TYR A 28 -12.894 -4.645 5.719 1.00 1.23 H new ATOM 0 HH TYR A 28 -14.422 -3.668 6.969 1.00 51.31 H new ATOM 495 N GLN A 29 -9.431 -2.338 2.752 1.00 14.33 N ATOM 496 CA GLN A 29 -8.651 -2.120 3.994 1.00 23.21 C ATOM 497 C GLN A 29 -7.628 -0.957 3.862 1.00 42.24 C ATOM 498 O GLN A 29 -7.080 -0.489 4.863 1.00 75.14 O ATOM 499 CB GLN A 29 -7.946 -3.442 4.409 1.00 3.25 C ATOM 500 CG GLN A 29 -8.916 -4.618 4.685 1.00 31.35 C ATOM 501 CD GLN A 29 -8.244 -5.934 5.119 1.00 3.11 C ATOM 502 OE1 GLN A 29 -7.076 -6.243 4.588 1.00 11.44 O flip ATOM 503 NE2 GLN A 29 -8.808 -6.699 5.894 1.00 50.34 N flip ATOM 0 H GLN A 29 -9.167 -3.182 2.244 1.00 14.33 H new ATOM 0 HA GLN A 29 -9.350 -1.823 4.776 1.00 23.21 H new ATOM 0 HB2 GLN A 29 -7.253 -3.735 3.620 1.00 3.25 H new ATOM 0 HB3 GLN A 29 -7.351 -3.258 5.304 1.00 3.25 H new ATOM 0 HG2 GLN A 29 -9.618 -4.314 5.461 1.00 31.35 H new ATOM 0 HG3 GLN A 29 -9.499 -4.806 3.783 1.00 31.35 H new ATOM 0 HE21 GLN A 29 -9.711 -6.445 6.295 1.00 50.34 H new ATOM 0 HE22 GLN A 29 -8.375 -7.590 6.137 1.00 50.34 H new ATOM 512 N SER A 30 -7.351 -0.519 2.620 1.00 11.15 N ATOM 513 CA SER A 30 -6.497 0.669 2.350 1.00 31.11 C ATOM 514 C SER A 30 -7.314 1.974 2.287 1.00 61.35 C ATOM 515 O SER A 30 -6.798 3.051 2.612 1.00 63.15 O ATOM 516 CB SER A 30 -5.730 0.488 1.041 1.00 34.01 C ATOM 517 OG SER A 30 -6.577 0.472 -0.093 1.00 43.24 O ATOM 0 H SER A 30 -7.706 -0.969 1.777 1.00 11.15 H new ATOM 0 HA SER A 30 -5.797 0.750 3.182 1.00 31.11 H new ATOM 0 HB2 SER A 30 -5.005 1.295 0.936 1.00 34.01 H new ATOM 0 HB3 SER A 30 -5.167 -0.444 1.081 1.00 34.01 H new ATOM 0 HG SER A 30 -7.471 0.169 0.171 1.00 43.24 H new ATOM 523 N ARG A 31 -8.582 1.869 1.841 1.00 73.34 N ATOM 524 CA ARG A 31 -9.506 3.025 1.762 1.00 32.30 C ATOM 525 C ARG A 31 -10.079 3.400 3.145 1.00 30.22 C ATOM 526 O ARG A 31 -10.750 4.425 3.283 1.00 0.13 O ATOM 527 CB ARG A 31 -10.656 2.750 0.763 1.00 71.10 C ATOM 528 CG ARG A 31 -10.210 2.655 -0.711 1.00 72.01 C ATOM 529 CD ARG A 31 -11.394 2.676 -1.688 1.00 65.33 C ATOM 530 NE ARG A 31 -12.188 3.915 -1.560 1.00 53.33 N ATOM 531 CZ ARG A 31 -13.271 4.209 -2.243 1.00 63.44 C ATOM 532 NH1 ARG A 31 -13.745 3.406 -3.147 1.00 34.12 N ATOM 533 NH2 ARG A 31 -13.882 5.323 -2.014 1.00 60.51 N ATOM 0 H ARG A 31 -8.994 0.990 1.527 1.00 73.34 H new ATOM 0 HA ARG A 31 -8.924 3.873 1.401 1.00 32.30 H new ATOM 0 HB2 ARG A 31 -11.148 1.818 1.042 1.00 71.10 H new ATOM 0 HB3 ARG A 31 -11.398 3.543 0.855 1.00 71.10 H new ATOM 0 HG2 ARG A 31 -9.541 3.485 -0.939 1.00 72.01 H new ATOM 0 HG3 ARG A 31 -9.640 1.737 -0.856 1.00 72.01 H new ATOM 0 HD2 ARG A 31 -11.024 2.585 -2.709 1.00 65.33 H new ATOM 0 HD3 ARG A 31 -12.034 1.813 -1.503 1.00 65.33 H new ATOM 0 HE ARG A 31 -11.867 4.604 -0.880 1.00 53.33 H new ATOM 0 HH11 ARG A 31 -13.274 2.522 -3.341 1.00 34.12 H new ATOM 0 HH12 ARG A 31 -14.588 3.659 -3.663 1.00 34.12 H new ATOM 0 HH21 ARG A 31 -13.523 5.966 -1.308 1.00 60.51 H new ATOM 0 HH22 ARG A 31 -14.724 5.560 -2.539 1.00 60.51 H new ATOM 547 N LYS A 32 -9.853 2.536 4.148 1.00 53.52 N ATOM 548 CA LYS A 32 -10.016 2.894 5.566 1.00 31.22 C ATOM 549 C LYS A 32 -8.620 3.062 6.205 1.00 52.31 C ATOM 550 O LYS A 32 -7.879 2.082 6.360 1.00 32.53 O ATOM 551 CB LYS A 32 -10.825 1.801 6.300 1.00 0.23 C ATOM 552 CG LYS A 32 -12.303 1.697 5.852 1.00 21.24 C ATOM 553 CD LYS A 32 -13.082 0.666 6.691 1.00 31.22 C ATOM 554 CE LYS A 32 -14.602 0.702 6.451 1.00 40.45 C ATOM 555 NZ LYS A 32 -15.325 -0.216 7.371 1.00 22.35 N ATOM 0 H LYS A 32 -9.553 1.573 3.999 1.00 53.52 H new ATOM 0 HA LYS A 32 -10.564 3.833 5.649 1.00 31.22 H new ATOM 0 HB2 LYS A 32 -10.340 0.838 6.141 1.00 0.23 H new ATOM 0 HB3 LYS A 32 -10.795 2.000 7.371 1.00 0.23 H new ATOM 0 HG2 LYS A 32 -12.780 2.673 5.941 1.00 21.24 H new ATOM 0 HG3 LYS A 32 -12.345 1.416 4.800 1.00 21.24 H new ATOM 0 HD2 LYS A 32 -12.710 -0.333 6.462 1.00 31.22 H new ATOM 0 HD3 LYS A 32 -12.885 0.846 7.748 1.00 31.22 H new ATOM 0 HE2 LYS A 32 -14.968 1.719 6.589 1.00 40.45 H new ATOM 0 HE3 LYS A 32 -14.814 0.424 5.419 1.00 40.45 H new ATOM 0 HZ1 LYS A 32 -16.342 0.002 7.351 1.00 22.35 H new ATOM 0 HZ2 LYS A 32 -15.176 -1.200 7.068 1.00 22.35 H new ATOM 0 HZ3 LYS A 32 -14.964 -0.093 8.338 1.00 22.35 H new ATOM 569 N ARG A 33 -8.285 4.308 6.596 1.00 42.21 N ATOM 570 CA ARG A 33 -6.987 4.662 7.230 1.00 43.13 C ATOM 571 C ARG A 33 -7.157 5.854 8.208 1.00 61.33 C ATOM 572 O ARG A 33 -7.967 6.754 7.968 1.00 25.41 O ATOM 573 CB ARG A 33 -5.899 4.991 6.152 1.00 3.31 C ATOM 574 CG ARG A 33 -5.208 3.755 5.524 1.00 51.33 C ATOM 575 CD ARG A 33 -4.565 2.858 6.601 1.00 61.24 C ATOM 576 NE ARG A 33 -3.836 1.721 6.042 1.00 61.11 N ATOM 577 CZ ARG A 33 -2.781 1.156 6.592 1.00 33.20 C ATOM 578 NH1 ARG A 33 -2.270 1.603 7.704 1.00 70.12 N ATOM 579 NH2 ARG A 33 -2.225 0.149 6.012 1.00 42.22 N ATOM 0 H ARG A 33 -8.909 5.107 6.482 1.00 42.21 H new ATOM 0 HA ARG A 33 -6.650 3.794 7.797 1.00 43.13 H new ATOM 0 HB2 ARG A 33 -6.362 5.574 5.356 1.00 3.31 H new ATOM 0 HB3 ARG A 33 -5.137 5.623 6.608 1.00 3.31 H new ATOM 0 HG2 ARG A 33 -5.938 3.178 4.957 1.00 51.33 H new ATOM 0 HG3 ARG A 33 -4.444 4.083 4.819 1.00 51.33 H new ATOM 0 HD2 ARG A 33 -3.883 3.457 7.204 1.00 61.24 H new ATOM 0 HD3 ARG A 33 -5.343 2.490 7.270 1.00 61.24 H new ATOM 0 HE ARG A 33 -4.170 1.336 5.159 1.00 61.11 H new ATOM 0 HH11 ARG A 33 -2.688 2.409 8.169 1.00 70.12 H new ATOM 0 HH12 ARG A 33 -1.452 1.147 8.109 1.00 70.12 H new ATOM 0 HH21 ARG A 33 -2.602 -0.205 5.133 1.00 42.22 H new ATOM 0 HH22 ARG A 33 -1.408 -0.294 6.432 1.00 42.22 H new ATOM 593 N GLY A 34 -6.376 5.846 9.308 1.00 34.34 N ATOM 594 CA GLY A 34 -6.461 6.880 10.358 1.00 63.41 C ATOM 595 C GLY A 34 -5.952 8.270 9.929 1.00 4.10 C ATOM 596 O GLY A 34 -6.378 9.290 10.480 1.00 75.44 O ATOM 0 H GLY A 34 -5.675 5.129 9.492 1.00 34.34 H new ATOM 0 HA2 GLY A 34 -7.499 6.970 10.678 1.00 63.41 H new ATOM 0 HA3 GLY A 34 -5.888 6.549 11.224 1.00 63.41 H new ATOM 600 N ILE A 35 -5.015 8.306 8.960 1.00 61.10 N ATOM 601 CA ILE A 35 -4.457 9.568 8.405 1.00 71.00 C ATOM 602 C ILE A 35 -5.035 9.836 7.000 1.00 44.41 C ATOM 603 O ILE A 35 -5.076 8.926 6.180 1.00 42.14 O ATOM 604 CB ILE A 35 -2.880 9.499 8.337 1.00 30.13 C ATOM 605 CG1 ILE A 35 -2.286 9.207 9.748 1.00 22.55 C ATOM 606 CG2 ILE A 35 -2.256 10.786 7.728 1.00 0.33 C ATOM 607 CD1 ILE A 35 -2.670 10.206 10.819 1.00 70.43 C ATOM 0 H ILE A 35 -4.621 7.466 8.537 1.00 61.10 H new ATOM 0 HA ILE A 35 -4.740 10.387 9.067 1.00 71.00 H new ATOM 0 HB ILE A 35 -2.621 8.678 7.669 1.00 30.13 H new ATOM 0 HG12 ILE A 35 -2.609 8.215 10.064 1.00 22.55 H new ATOM 0 HG13 ILE A 35 -1.199 9.179 9.670 1.00 22.55 H new ATOM 0 HG21 ILE A 35 -1.171 10.688 7.704 1.00 0.33 H new ATOM 0 HG22 ILE A 35 -2.630 10.927 6.714 1.00 0.33 H new ATOM 0 HG23 ILE A 35 -2.529 11.647 8.339 1.00 0.33 H new ATOM 0 HD11 ILE A 35 -2.210 9.920 11.765 1.00 70.43 H new ATOM 0 HD12 ILE A 35 -2.323 11.199 10.532 1.00 70.43 H new ATOM 0 HD13 ILE A 35 -3.754 10.220 10.932 1.00 70.43 H new ATOM 619 N LEU A 36 -5.460 11.094 6.731 1.00 25.33 N ATOM 620 CA LEU A 36 -6.072 11.490 5.427 1.00 74.30 C ATOM 621 C LEU A 36 -5.079 11.351 4.242 1.00 71.40 C ATOM 622 O LEU A 36 -5.462 10.898 3.165 1.00 40.11 O ATOM 623 CB LEU A 36 -6.641 12.950 5.484 1.00 62.51 C ATOM 624 CG LEU A 36 -7.985 13.168 6.263 1.00 50.02 C ATOM 625 CD1 LEU A 36 -9.107 12.259 5.719 1.00 42.05 C ATOM 626 CD2 LEU A 36 -7.814 13.003 7.787 1.00 12.03 C ATOM 0 H LEU A 36 -5.392 11.860 7.401 1.00 25.33 H new ATOM 0 HA LEU A 36 -6.896 10.798 5.252 1.00 74.30 H new ATOM 0 HB2 LEU A 36 -5.882 13.590 5.934 1.00 62.51 H new ATOM 0 HB3 LEU A 36 -6.784 13.296 4.461 1.00 62.51 H new ATOM 0 HG LEU A 36 -8.283 14.202 6.091 1.00 50.02 H new ATOM 0 HD11 LEU A 36 -10.024 12.436 6.282 1.00 42.05 H new ATOM 0 HD12 LEU A 36 -9.278 12.483 4.666 1.00 42.05 H new ATOM 0 HD13 LEU A 36 -8.813 11.215 5.825 1.00 42.05 H new ATOM 0 HD21 LEU A 36 -8.773 13.164 8.280 1.00 12.03 H new ATOM 0 HD22 LEU A 36 -7.457 11.997 8.006 1.00 12.03 H new ATOM 0 HD23 LEU A 36 -7.091 13.732 8.153 1.00 12.03 H new ATOM 638 N GLU A 37 -3.813 11.750 4.451 1.00 12.52 N ATOM 639 CA GLU A 37 -2.760 11.650 3.403 1.00 34.25 C ATOM 640 C GLU A 37 -2.354 10.188 3.114 1.00 40.31 C ATOM 641 O GLU A 37 -2.092 9.832 1.963 1.00 20.45 O ATOM 642 CB GLU A 37 -1.523 12.528 3.772 1.00 71.25 C ATOM 643 CG GLU A 37 -1.483 13.900 3.060 1.00 60.30 C ATOM 644 CD GLU A 37 -1.180 13.792 1.547 1.00 3.52 C ATOM 645 OE1 GLU A 37 -2.102 13.494 0.747 1.00 52.54 O ATOM 646 OE2 GLU A 37 -0.011 13.981 1.146 1.00 5.42 O ATOM 0 H GLU A 37 -3.485 12.146 5.332 1.00 12.52 H new ATOM 0 HA GLU A 37 -3.187 12.039 2.479 1.00 34.25 H new ATOM 0 HB2 GLU A 37 -1.516 12.690 4.850 1.00 71.25 H new ATOM 0 HB3 GLU A 37 -0.615 11.977 3.526 1.00 71.25 H new ATOM 0 HG2 GLU A 37 -2.441 14.402 3.197 1.00 60.30 H new ATOM 0 HG3 GLU A 37 -0.725 14.525 3.532 1.00 60.30 H new ATOM 653 N THR A 38 -2.295 9.361 4.169 1.00 15.24 N ATOM 654 CA THR A 38 -2.055 7.903 4.044 1.00 74.44 C ATOM 655 C THR A 38 -3.260 7.202 3.376 1.00 31.31 C ATOM 656 O THR A 38 -3.094 6.247 2.610 1.00 63.35 O ATOM 657 CB THR A 38 -1.800 7.262 5.442 1.00 34.31 C ATOM 658 OG1 THR A 38 -0.681 7.911 6.072 1.00 73.21 O ATOM 659 CG2 THR A 38 -1.542 5.746 5.356 1.00 61.23 C ATOM 0 H THR A 38 -2.411 9.676 5.132 1.00 15.24 H new ATOM 0 HA THR A 38 -1.171 7.768 3.420 1.00 74.44 H new ATOM 0 HB THR A 38 -2.703 7.403 6.036 1.00 34.31 H new ATOM 0 HG1 THR A 38 0.016 7.249 6.264 1.00 73.21 H new ATOM 0 HG21 THR A 38 -1.370 5.349 6.356 1.00 61.23 H new ATOM 0 HG22 THR A 38 -2.408 5.254 4.914 1.00 61.23 H new ATOM 0 HG23 THR A 38 -0.664 5.561 4.737 1.00 61.23 H new ATOM 667 N ASP A 39 -4.465 7.705 3.689 1.00 42.41 N ATOM 668 CA ASP A 39 -5.740 7.199 3.149 1.00 5.45 C ATOM 669 C ASP A 39 -5.788 7.373 1.616 1.00 33.14 C ATOM 670 O ASP A 39 -5.936 6.401 0.897 1.00 4.03 O ATOM 671 CB ASP A 39 -6.920 7.935 3.838 1.00 33.12 C ATOM 672 CG ASP A 39 -8.302 7.463 3.365 1.00 64.02 C ATOM 673 OD1 ASP A 39 -8.834 8.040 2.387 1.00 41.31 O ATOM 674 OD2 ASP A 39 -8.864 6.523 3.967 1.00 73.13 O ATOM 0 H ASP A 39 -4.584 8.486 4.334 1.00 42.41 H new ATOM 0 HA ASP A 39 -5.824 6.133 3.359 1.00 5.45 H new ATOM 0 HB2 ASP A 39 -6.846 7.792 4.916 1.00 33.12 H new ATOM 0 HB3 ASP A 39 -6.828 9.005 3.652 1.00 33.12 H new ATOM 679 N LEU A 40 -5.615 8.622 1.146 1.00 53.45 N ATOM 680 CA LEU A 40 -5.632 8.965 -0.300 1.00 73.10 C ATOM 681 C LEU A 40 -4.425 8.345 -1.062 1.00 43.14 C ATOM 682 O LEU A 40 -4.518 8.064 -2.265 1.00 52.12 O ATOM 683 CB LEU A 40 -5.667 10.511 -0.465 1.00 3.03 C ATOM 684 CG LEU A 40 -6.917 11.227 0.150 1.00 54.21 C ATOM 685 CD1 LEU A 40 -6.818 12.765 0.013 1.00 34.14 C ATOM 686 CD2 LEU A 40 -8.230 10.684 -0.467 1.00 13.01 C ATOM 0 H LEU A 40 -5.459 9.427 1.753 1.00 53.45 H new ATOM 0 HA LEU A 40 -6.531 8.536 -0.743 1.00 73.10 H new ATOM 0 HB2 LEU A 40 -4.770 10.928 -0.008 1.00 3.03 H new ATOM 0 HB3 LEU A 40 -5.622 10.746 -1.528 1.00 3.03 H new ATOM 0 HG LEU A 40 -6.934 11.001 1.216 1.00 54.21 H new ATOM 0 HD11 LEU A 40 -7.703 13.227 0.451 1.00 34.14 H new ATOM 0 HD12 LEU A 40 -5.928 13.120 0.533 1.00 34.14 H new ATOM 0 HD13 LEU A 40 -6.753 13.033 -1.042 1.00 34.14 H new ATOM 0 HD21 LEU A 40 -9.081 11.199 -0.022 1.00 13.01 H new ATOM 0 HD22 LEU A 40 -8.225 10.856 -1.543 1.00 13.01 H new ATOM 0 HD23 LEU A 40 -8.309 9.615 -0.271 1.00 13.01 H new ATOM 698 N LEU A 41 -3.303 8.139 -0.341 1.00 11.13 N ATOM 699 CA LEU A 41 -2.107 7.441 -0.877 1.00 43.13 C ATOM 700 C LEU A 41 -2.436 5.965 -1.210 1.00 34.44 C ATOM 701 O LEU A 41 -2.333 5.547 -2.359 1.00 42.03 O ATOM 702 CB LEU A 41 -0.933 7.535 0.145 1.00 15.14 C ATOM 703 CG LEU A 41 0.390 6.763 -0.191 1.00 23.40 C ATOM 704 CD1 LEU A 41 0.980 7.197 -1.547 1.00 12.34 C ATOM 705 CD2 LEU A 41 1.425 6.931 0.947 1.00 12.42 C ATOM 0 H LEU A 41 -3.197 8.449 0.625 1.00 11.13 H new ATOM 0 HA LEU A 41 -1.801 7.929 -1.802 1.00 43.13 H new ATOM 0 HB2 LEU A 41 -0.683 8.588 0.273 1.00 15.14 H new ATOM 0 HB3 LEU A 41 -1.296 7.174 1.107 1.00 15.14 H new ATOM 0 HG LEU A 41 0.141 5.705 -0.275 1.00 23.40 H new ATOM 0 HD11 LEU A 41 1.895 6.638 -1.741 1.00 12.34 H new ATOM 0 HD12 LEU A 41 0.258 6.997 -2.339 1.00 12.34 H new ATOM 0 HD13 LEU A 41 1.204 8.263 -1.522 1.00 12.34 H new ATOM 0 HD21 LEU A 41 2.335 6.388 0.694 1.00 12.42 H new ATOM 0 HD22 LEU A 41 1.657 7.988 1.075 1.00 12.42 H new ATOM 0 HD23 LEU A 41 1.013 6.535 1.875 1.00 12.42 H new ATOM 717 N LEU A 42 -2.881 5.205 -0.200 1.00 14.21 N ATOM 718 CA LEU A 42 -3.156 3.753 -0.334 1.00 42.12 C ATOM 719 C LEU A 42 -4.459 3.456 -1.113 1.00 54.32 C ATOM 720 O LEU A 42 -4.568 2.418 -1.756 1.00 40.02 O ATOM 721 CB LEU A 42 -3.184 3.097 1.068 1.00 72.51 C ATOM 722 CG LEU A 42 -1.838 3.133 1.853 1.00 63.31 C ATOM 723 CD1 LEU A 42 -1.971 2.457 3.230 1.00 50.10 C ATOM 724 CD2 LEU A 42 -0.701 2.504 1.020 1.00 62.43 C ATOM 0 H LEU A 42 -3.063 5.571 0.735 1.00 14.21 H new ATOM 0 HA LEU A 42 -2.348 3.319 -0.923 1.00 42.12 H new ATOM 0 HB2 LEU A 42 -3.947 3.594 1.667 1.00 72.51 H new ATOM 0 HB3 LEU A 42 -3.492 2.057 0.957 1.00 72.51 H new ATOM 0 HG LEU A 42 -1.582 4.177 2.032 1.00 63.31 H new ATOM 0 HD11 LEU A 42 -1.014 2.500 3.750 1.00 50.10 H new ATOM 0 HD12 LEU A 42 -2.728 2.976 3.818 1.00 50.10 H new ATOM 0 HD13 LEU A 42 -2.265 1.416 3.097 1.00 50.10 H new ATOM 0 HD21 LEU A 42 0.229 2.540 1.588 1.00 62.43 H new ATOM 0 HD22 LEU A 42 -0.947 1.467 0.793 1.00 62.43 H new ATOM 0 HD23 LEU A 42 -0.580 3.060 0.090 1.00 62.43 H new ATOM 736 N SER A 43 -5.442 4.365 -1.027 1.00 40.43 N ATOM 737 CA SER A 43 -6.726 4.262 -1.784 1.00 62.12 C ATOM 738 C SER A 43 -6.495 4.306 -3.311 1.00 52.33 C ATOM 739 O SER A 43 -6.888 3.385 -4.039 1.00 32.43 O ATOM 740 CB SER A 43 -7.688 5.406 -1.380 1.00 30.12 C ATOM 741 OG SER A 43 -8.906 5.369 -2.113 1.00 74.25 O ATOM 0 H SER A 43 -5.382 5.194 -0.436 1.00 40.43 H new ATOM 0 HA SER A 43 -7.172 3.300 -1.530 1.00 62.12 H new ATOM 0 HB2 SER A 43 -7.905 5.336 -0.314 1.00 30.12 H new ATOM 0 HB3 SER A 43 -7.197 6.365 -1.543 1.00 30.12 H new ATOM 0 HG SER A 43 -9.483 6.107 -1.825 1.00 74.25 H new ATOM 747 N GLY A 44 -5.845 5.394 -3.773 1.00 0.22 N ATOM 748 CA GLY A 44 -5.533 5.577 -5.196 1.00 42.45 C ATOM 749 C GLY A 44 -4.505 4.568 -5.724 1.00 61.52 C ATOM 750 O GLY A 44 -4.553 4.171 -6.898 1.00 52.54 O ATOM 0 H GLY A 44 -5.528 6.158 -3.176 1.00 0.22 H new ATOM 0 HA2 GLY A 44 -6.451 5.488 -5.777 1.00 42.45 H new ATOM 0 HA3 GLY A 44 -5.154 6.587 -5.351 1.00 42.45 H new ATOM 754 N PHE A 45 -3.556 4.186 -4.843 1.00 60.44 N ATOM 755 CA PHE A 45 -2.569 3.116 -5.111 1.00 24.43 C ATOM 756 C PHE A 45 -3.285 1.781 -5.380 1.00 63.33 C ATOM 757 O PHE A 45 -2.910 1.027 -6.271 1.00 51.32 O ATOM 758 CB PHE A 45 -1.609 2.960 -3.898 1.00 2.12 C ATOM 759 CG PHE A 45 -0.515 1.911 -4.086 1.00 2.34 C ATOM 760 CD1 PHE A 45 0.651 2.227 -4.763 1.00 52.14 C ATOM 761 CD2 PHE A 45 -0.660 0.610 -3.607 1.00 43.24 C ATOM 762 CE1 PHE A 45 1.634 1.278 -4.959 1.00 50.34 C ATOM 763 CE2 PHE A 45 0.329 -0.335 -3.801 1.00 0.50 C ATOM 764 CZ PHE A 45 1.476 0.001 -4.478 1.00 14.12 C ATOM 0 H PHE A 45 -3.452 4.612 -3.922 1.00 60.44 H new ATOM 0 HA PHE A 45 -1.991 3.391 -5.993 1.00 24.43 H new ATOM 0 HB2 PHE A 45 -1.140 3.923 -3.696 1.00 2.12 H new ATOM 0 HB3 PHE A 45 -2.196 2.700 -3.017 1.00 2.12 H new ATOM 0 HD1 PHE A 45 0.793 3.228 -5.142 1.00 52.14 H new ATOM 0 HD2 PHE A 45 -1.560 0.336 -3.076 1.00 43.24 H new ATOM 0 HE1 PHE A 45 2.534 1.541 -5.495 1.00 50.34 H new ATOM 0 HE2 PHE A 45 0.200 -1.338 -3.421 1.00 0.50 H new ATOM 0 HZ PHE A 45 2.251 -0.736 -4.632 1.00 14.12 H new ATOM 774 N ALA A 46 -4.314 1.512 -4.577 1.00 62.44 N ATOM 775 CA ALA A 46 -5.067 0.257 -4.641 1.00 50.04 C ATOM 776 C ALA A 46 -5.926 0.144 -5.921 1.00 35.03 C ATOM 777 O ALA A 46 -6.006 -0.926 -6.532 1.00 4.13 O ATOM 778 CB ALA A 46 -5.912 0.112 -3.380 1.00 72.05 C ATOM 0 H ALA A 46 -4.650 2.158 -3.863 1.00 62.44 H new ATOM 0 HA ALA A 46 -4.354 -0.566 -4.692 1.00 50.04 H new ATOM 0 HB1 ALA A 46 -6.474 -0.821 -3.424 1.00 72.05 H new ATOM 0 HB2 ALA A 46 -5.262 0.103 -2.505 1.00 72.05 H new ATOM 0 HB3 ALA A 46 -6.605 0.950 -3.308 1.00 72.05 H new ATOM 784 N ALA A 47 -6.553 1.256 -6.323 1.00 43.23 N ATOM 785 CA ALA A 47 -7.377 1.312 -7.553 1.00 10.12 C ATOM 786 C ALA A 47 -6.526 1.126 -8.841 1.00 14.12 C ATOM 787 O ALA A 47 -6.957 0.475 -9.804 1.00 74.51 O ATOM 788 CB ALA A 47 -8.135 2.646 -7.596 1.00 13.32 C ATOM 0 H ALA A 47 -6.509 2.139 -5.815 1.00 43.23 H new ATOM 0 HA ALA A 47 -8.086 0.485 -7.523 1.00 10.12 H new ATOM 0 HB1 ALA A 47 -8.742 2.690 -8.500 1.00 13.32 H new ATOM 0 HB2 ALA A 47 -8.780 2.726 -6.721 1.00 13.32 H new ATOM 0 HB3 ALA A 47 -7.421 3.470 -7.597 1.00 13.32 H new ATOM 794 N LYS A 48 -5.305 1.688 -8.818 1.00 65.20 N ATOM 795 CA LYS A 48 -4.396 1.707 -9.988 1.00 43.14 C ATOM 796 C LYS A 48 -3.507 0.435 -10.079 1.00 42.32 C ATOM 797 O LYS A 48 -3.498 -0.264 -11.098 1.00 70.42 O ATOM 798 CB LYS A 48 -3.490 2.966 -9.905 1.00 51.21 C ATOM 799 CG LYS A 48 -2.481 3.110 -11.071 1.00 61.01 C ATOM 800 CD LYS A 48 -1.474 4.262 -10.870 1.00 33.51 C ATOM 801 CE LYS A 48 -2.134 5.640 -10.776 1.00 4.03 C ATOM 802 NZ LYS A 48 -1.128 6.723 -10.746 1.00 35.43 N ATOM 0 H LYS A 48 -4.917 2.142 -7.991 1.00 65.20 H new ATOM 0 HA LYS A 48 -5.015 1.730 -10.885 1.00 43.14 H new ATOM 0 HB2 LYS A 48 -4.123 3.853 -9.878 1.00 51.21 H new ATOM 0 HB3 LYS A 48 -2.938 2.940 -8.965 1.00 51.21 H new ATOM 0 HG2 LYS A 48 -1.934 2.174 -11.186 1.00 61.01 H new ATOM 0 HG3 LYS A 48 -3.030 3.274 -11.998 1.00 61.01 H new ATOM 0 HD2 LYS A 48 -0.902 4.079 -9.961 1.00 33.51 H new ATOM 0 HD3 LYS A 48 -0.765 4.263 -11.698 1.00 33.51 H new ATOM 0 HE2 LYS A 48 -2.800 5.784 -11.627 1.00 4.03 H new ATOM 0 HE3 LYS A 48 -2.750 5.689 -9.878 1.00 4.03 H new ATOM 0 HZ1 LYS A 48 -1.522 7.575 -11.194 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 -0.876 6.936 -9.760 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 -0.278 6.421 -11.263 1.00 35.43 H new ATOM 816 N TYR A 49 -2.758 0.155 -9.000 1.00 54.20 N ATOM 817 CA TYR A 49 -1.700 -0.885 -8.994 1.00 22.41 C ATOM 818 C TYR A 49 -2.266 -2.305 -8.824 1.00 5.40 C ATOM 819 O TYR A 49 -1.893 -3.187 -9.585 1.00 43.23 O ATOM 820 CB TYR A 49 -0.638 -0.589 -7.911 1.00 3.42 C ATOM 821 CG TYR A 49 0.314 0.559 -8.280 1.00 23.10 C ATOM 822 CD1 TYR A 49 -0.073 1.892 -8.150 1.00 23.14 C ATOM 823 CD2 TYR A 49 1.605 0.305 -8.759 1.00 14.23 C ATOM 824 CE1 TYR A 49 0.792 2.921 -8.474 1.00 64.45 C ATOM 825 CE2 TYR A 49 2.466 1.339 -9.085 1.00 13.04 C ATOM 826 CZ TYR A 49 2.057 2.639 -8.940 1.00 3.30 C ATOM 827 OH TYR A 49 2.913 3.667 -9.263 1.00 31.32 O ATOM 0 H TYR A 49 -2.863 0.637 -8.108 1.00 54.20 H new ATOM 0 HA TYR A 49 -1.222 -0.848 -9.973 1.00 22.41 H new ATOM 0 HB2 TYR A 49 -1.143 -0.345 -6.976 1.00 3.42 H new ATOM 0 HB3 TYR A 49 -0.053 -1.491 -7.731 1.00 3.42 H new ATOM 0 HD1 TYR A 49 -1.064 2.125 -7.790 1.00 23.14 H new ATOM 0 HD2 TYR A 49 1.935 -0.717 -8.876 1.00 14.23 H new ATOM 0 HE1 TYR A 49 0.475 3.947 -8.361 1.00 64.45 H new ATOM 0 HE2 TYR A 49 3.458 1.122 -9.453 1.00 13.04 H new ATOM 0 HH TYR A 49 2.714 4.446 -8.703 1.00 31.32 H new ATOM 837 N LEU A 50 -3.163 -2.525 -7.831 1.00 13.22 N ATOM 838 CA LEU A 50 -3.784 -3.870 -7.606 1.00 61.10 C ATOM 839 C LEU A 50 -4.493 -4.406 -8.865 1.00 73.41 C ATOM 840 O LEU A 50 -4.573 -5.618 -9.063 1.00 0.14 O ATOM 841 CB LEU A 50 -4.777 -3.875 -6.413 1.00 33.12 C ATOM 842 CG LEU A 50 -4.150 -4.092 -5.006 1.00 61.53 C ATOM 843 CD1 LEU A 50 -3.373 -2.877 -4.510 1.00 3.44 C ATOM 844 CD2 LEU A 50 -5.217 -4.496 -3.993 1.00 64.44 C ATOM 0 H LEU A 50 -3.474 -1.806 -7.178 1.00 13.22 H new ATOM 0 HA LEU A 50 -2.953 -4.533 -7.365 1.00 61.10 H new ATOM 0 HB2 LEU A 50 -5.313 -2.926 -6.408 1.00 33.12 H new ATOM 0 HB3 LEU A 50 -5.516 -4.657 -6.584 1.00 33.12 H new ATOM 0 HG LEU A 50 -3.432 -4.905 -5.109 1.00 61.53 H new ATOM 0 HD11 LEU A 50 -2.959 -3.088 -3.524 1.00 3.44 H new ATOM 0 HD12 LEU A 50 -2.562 -2.655 -5.204 1.00 3.44 H new ATOM 0 HD13 LEU A 50 -4.042 -2.018 -4.447 1.00 3.44 H new ATOM 0 HD21 LEU A 50 -4.755 -4.642 -3.017 1.00 64.44 H new ATOM 0 HD22 LEU A 50 -5.970 -3.710 -3.924 1.00 64.44 H new ATOM 0 HD23 LEU A 50 -5.690 -5.424 -4.313 1.00 64.44 H new ATOM 856 N LYS A 51 -4.988 -3.480 -9.696 1.00 12.31 N ATOM 857 CA LYS A 51 -5.637 -3.783 -10.985 1.00 3.53 C ATOM 858 C LYS A 51 -4.720 -4.639 -11.903 1.00 61.21 C ATOM 859 O LYS A 51 -5.167 -5.602 -12.536 1.00 33.42 O ATOM 860 CB LYS A 51 -5.977 -2.435 -11.677 1.00 64.45 C ATOM 861 CG LYS A 51 -6.851 -2.541 -12.942 1.00 73.52 C ATOM 862 CD LYS A 51 -8.299 -3.001 -12.650 1.00 44.03 C ATOM 863 CE LYS A 51 -9.041 -2.079 -11.660 1.00 72.45 C ATOM 864 NZ LYS A 51 -8.980 -0.641 -12.057 1.00 4.11 N ATOM 0 H LYS A 51 -4.950 -2.482 -9.491 1.00 12.31 H new ATOM 0 HA LYS A 51 -6.540 -4.365 -10.804 1.00 3.53 H new ATOM 0 HB2 LYS A 51 -6.487 -1.795 -10.957 1.00 64.45 H new ATOM 0 HB3 LYS A 51 -5.044 -1.937 -11.942 1.00 64.45 H new ATOM 0 HG2 LYS A 51 -6.879 -1.571 -13.438 1.00 73.52 H new ATOM 0 HG3 LYS A 51 -6.388 -3.241 -13.637 1.00 73.52 H new ATOM 0 HD2 LYS A 51 -8.856 -3.042 -13.586 1.00 44.03 H new ATOM 0 HD3 LYS A 51 -8.278 -4.014 -12.247 1.00 44.03 H new ATOM 0 HE2 LYS A 51 -10.084 -2.389 -11.592 1.00 72.45 H new ATOM 0 HE3 LYS A 51 -8.608 -2.196 -10.666 1.00 72.45 H new ATOM 0 HZ1 LYS A 51 -9.900 -0.192 -11.877 1.00 4.11 H new ATOM 0 HZ2 LYS A 51 -8.245 -0.159 -11.502 1.00 4.11 H new ATOM 0 HZ3 LYS A 51 -8.752 -0.570 -13.069 1.00 4.11 H new ATOM 878 N LYS A 52 -3.424 -4.271 -11.933 1.00 35.34 N ATOM 879 CA LYS A 52 -2.399 -4.895 -12.809 1.00 75.33 C ATOM 880 C LYS A 52 -1.410 -5.813 -12.031 1.00 41.30 C ATOM 881 O LYS A 52 -0.674 -6.592 -12.644 1.00 61.14 O ATOM 882 CB LYS A 52 -1.635 -3.769 -13.554 1.00 2.15 C ATOM 883 CG LYS A 52 -0.974 -2.718 -12.630 1.00 72.24 C ATOM 884 CD LYS A 52 -0.422 -1.503 -13.402 1.00 32.11 C ATOM 885 CE LYS A 52 0.802 -1.846 -14.272 1.00 71.11 C ATOM 886 NZ LYS A 52 1.961 -2.297 -13.452 1.00 30.55 N ATOM 0 H LYS A 52 -3.050 -3.525 -11.346 1.00 35.34 H new ATOM 0 HA LYS A 52 -2.910 -5.545 -13.520 1.00 75.33 H new ATOM 0 HB2 LYS A 52 -0.864 -4.222 -14.177 1.00 2.15 H new ATOM 0 HB3 LYS A 52 -2.328 -3.260 -14.224 1.00 2.15 H new ATOM 0 HG2 LYS A 52 -1.705 -2.375 -11.897 1.00 72.24 H new ATOM 0 HG3 LYS A 52 -0.163 -3.189 -12.075 1.00 72.24 H new ATOM 0 HD2 LYS A 52 -1.209 -1.095 -14.037 1.00 32.11 H new ATOM 0 HD3 LYS A 52 -0.149 -0.722 -12.692 1.00 32.11 H new ATOM 0 HE2 LYS A 52 0.534 -2.628 -14.982 1.00 71.11 H new ATOM 0 HE3 LYS A 52 1.089 -0.971 -14.855 1.00 71.11 H new ATOM 0 HZ1 LYS A 52 2.813 -2.338 -14.048 1.00 30.55 H new ATOM 0 HZ2 LYS A 52 2.116 -1.627 -12.672 1.00 30.55 H new ATOM 0 HZ3 LYS A 52 1.764 -3.241 -13.063 1.00 30.55 H new ATOM 900 N MET A 53 -1.411 -5.710 -10.685 1.00 52.24 N ATOM 901 CA MET A 53 -0.434 -6.366 -9.792 1.00 10.31 C ATOM 902 C MET A 53 -0.589 -7.914 -9.740 1.00 44.03 C ATOM 903 O MET A 53 -1.705 -8.441 -9.823 1.00 33.42 O ATOM 904 CB MET A 53 -0.598 -5.764 -8.368 1.00 4.21 C ATOM 905 CG MET A 53 0.487 -6.158 -7.379 1.00 23.21 C ATOM 906 SD MET A 53 0.146 -5.653 -5.672 1.00 11.43 S ATOM 907 CE MET A 53 0.098 -3.865 -5.789 1.00 44.32 C ATOM 0 H MET A 53 -2.104 -5.158 -10.180 1.00 52.24 H new ATOM 0 HA MET A 53 0.564 -6.178 -10.189 1.00 10.31 H new ATOM 0 HB2 MET A 53 -0.619 -4.677 -8.449 1.00 4.21 H new ATOM 0 HB3 MET A 53 -1.564 -6.072 -7.968 1.00 4.21 H new ATOM 0 HG2 MET A 53 0.616 -7.240 -7.408 1.00 23.21 H new ATOM 0 HG3 MET A 53 1.432 -5.716 -7.696 1.00 23.21 H new ATOM 0 HE1 MET A 53 0.003 -3.437 -4.791 1.00 44.32 H new ATOM 0 HE2 MET A 53 1.017 -3.506 -6.252 1.00 44.32 H new ATOM 0 HE3 MET A 53 -0.756 -3.563 -6.396 1.00 44.32 H new ATOM 917 N ASN A 54 0.555 -8.616 -9.582 1.00 73.23 N ATOM 918 CA ASN A 54 0.606 -10.097 -9.480 1.00 55.35 C ATOM 919 C ASN A 54 0.084 -10.607 -8.106 1.00 44.31 C ATOM 920 O ASN A 54 0.154 -9.899 -7.097 1.00 41.53 O ATOM 921 CB ASN A 54 2.067 -10.574 -9.715 1.00 23.02 C ATOM 922 CG ASN A 54 2.281 -12.092 -9.673 1.00 22.43 C ATOM 923 OD1 ASN A 54 1.425 -12.874 -10.067 1.00 12.20 O ATOM 924 ND2 ASN A 54 3.437 -12.517 -9.194 1.00 4.20 N ATOM 0 H ASN A 54 1.472 -8.174 -9.521 1.00 73.23 H new ATOM 0 HA ASN A 54 -0.050 -10.514 -10.244 1.00 55.35 H new ATOM 0 HB2 ASN A 54 2.400 -10.204 -10.685 1.00 23.02 H new ATOM 0 HB3 ASN A 54 2.707 -10.114 -8.962 1.00 23.02 H new ATOM 0 HD21 ASN A 54 3.633 -13.517 -9.146 1.00 4.20 H new ATOM 0 HD22 ASN A 54 4.134 -11.845 -8.872 1.00 4.20 H new ATOM 931 N GLU A 55 -0.379 -11.871 -8.109 1.00 64.23 N ATOM 932 CA GLU A 55 -0.945 -12.598 -6.929 1.00 64.33 C ATOM 933 C GLU A 55 -0.012 -12.532 -5.694 1.00 51.15 C ATOM 934 O GLU A 55 -0.456 -12.310 -4.561 1.00 60.12 O ATOM 935 CB GLU A 55 -1.190 -14.104 -7.282 1.00 20.20 C ATOM 936 CG GLU A 55 -2.214 -14.392 -8.407 1.00 51.45 C ATOM 937 CD GLU A 55 -1.777 -13.982 -9.828 1.00 42.32 C ATOM 938 OE1 GLU A 55 -1.003 -14.726 -10.460 1.00 61.55 O ATOM 939 OE2 GLU A 55 -2.205 -12.913 -10.316 1.00 45.34 O ATOM 0 H GLU A 55 -0.375 -12.443 -8.953 1.00 64.23 H new ATOM 0 HA GLU A 55 -1.885 -12.104 -6.682 1.00 64.33 H new ATOM 0 HB2 GLU A 55 -0.236 -14.547 -7.567 1.00 20.20 H new ATOM 0 HB3 GLU A 55 -1.522 -14.616 -6.379 1.00 20.20 H new ATOM 0 HG2 GLU A 55 -2.435 -15.459 -8.408 1.00 51.45 H new ATOM 0 HG3 GLU A 55 -3.143 -13.875 -8.169 1.00 51.45 H new ATOM 946 N GLU A 56 1.290 -12.732 -5.957 1.00 14.31 N ATOM 947 CA GLU A 56 2.356 -12.742 -4.930 1.00 4.11 C ATOM 948 C GLU A 56 2.518 -11.361 -4.254 1.00 22.33 C ATOM 949 O GLU A 56 2.597 -11.250 -3.024 1.00 54.10 O ATOM 950 CB GLU A 56 3.686 -13.172 -5.593 1.00 21.11 C ATOM 951 CG GLU A 56 3.653 -14.570 -6.243 1.00 5.03 C ATOM 952 CD GLU A 56 4.963 -14.938 -6.960 1.00 33.44 C ATOM 953 OE1 GLU A 56 5.964 -15.222 -6.275 1.00 62.22 O ATOM 954 OE2 GLU A 56 4.994 -14.948 -8.209 1.00 30.13 O ATOM 0 H GLU A 56 1.641 -12.894 -6.901 1.00 14.31 H new ATOM 0 HA GLU A 56 2.078 -13.450 -4.150 1.00 4.11 H new ATOM 0 HB2 GLU A 56 3.952 -12.438 -6.353 1.00 21.11 H new ATOM 0 HB3 GLU A 56 4.475 -13.153 -4.841 1.00 21.11 H new ATOM 0 HG2 GLU A 56 3.445 -15.315 -5.475 1.00 5.03 H new ATOM 0 HG3 GLU A 56 2.831 -14.611 -6.958 1.00 5.03 H new ATOM 961 N GLU A 57 2.564 -10.320 -5.095 1.00 43.44 N ATOM 962 CA GLU A 57 2.710 -8.913 -4.660 1.00 21.34 C ATOM 963 C GLU A 57 1.432 -8.395 -3.940 1.00 0.22 C ATOM 964 O GLU A 57 1.514 -7.484 -3.114 1.00 11.22 O ATOM 965 CB GLU A 57 3.082 -8.034 -5.880 1.00 41.13 C ATOM 966 CG GLU A 57 4.391 -8.446 -6.585 1.00 70.52 C ATOM 967 CD GLU A 57 4.661 -7.645 -7.873 1.00 12.35 C ATOM 968 OE1 GLU A 57 3.927 -7.853 -8.865 1.00 11.15 O ATOM 969 OE2 GLU A 57 5.602 -6.816 -7.904 1.00 12.42 O ATOM 0 H GLU A 57 2.501 -10.425 -6.108 1.00 43.44 H new ATOM 0 HA GLU A 57 3.515 -8.853 -3.928 1.00 21.34 H new ATOM 0 HB2 GLU A 57 2.267 -8.072 -6.602 1.00 41.13 H new ATOM 0 HB3 GLU A 57 3.170 -6.998 -5.553 1.00 41.13 H new ATOM 0 HG2 GLU A 57 5.226 -8.309 -5.897 1.00 70.52 H new ATOM 0 HG3 GLU A 57 4.348 -9.508 -6.827 1.00 70.52 H new ATOM 976 N LEU A 58 0.249 -8.957 -4.296 1.00 2.24 N ATOM 977 CA LEU A 58 -1.021 -8.704 -3.560 1.00 22.34 C ATOM 978 C LEU A 58 -0.927 -9.156 -2.077 1.00 15.13 C ATOM 979 O LEU A 58 -1.494 -8.516 -1.190 1.00 54.54 O ATOM 980 CB LEU A 58 -2.226 -9.426 -4.236 1.00 53.31 C ATOM 981 CG LEU A 58 -2.643 -8.931 -5.657 1.00 35.14 C ATOM 982 CD1 LEU A 58 -3.883 -9.693 -6.161 1.00 1.22 C ATOM 983 CD2 LEU A 58 -2.895 -7.413 -5.677 1.00 14.20 C ATOM 0 H LEU A 58 0.146 -9.590 -5.089 1.00 2.24 H new ATOM 0 HA LEU A 58 -1.184 -7.627 -3.592 1.00 22.34 H new ATOM 0 HB2 LEU A 58 -1.990 -10.488 -4.303 1.00 53.31 H new ATOM 0 HB3 LEU A 58 -3.090 -9.332 -3.578 1.00 53.31 H new ATOM 0 HG LEU A 58 -1.812 -9.138 -6.332 1.00 35.14 H new ATOM 0 HD11 LEU A 58 -4.154 -9.331 -7.153 1.00 1.22 H new ATOM 0 HD12 LEU A 58 -3.659 -10.759 -6.213 1.00 1.22 H new ATOM 0 HD13 LEU A 58 -4.714 -9.530 -5.475 1.00 1.22 H new ATOM 0 HD21 LEU A 58 -3.183 -7.105 -6.682 1.00 14.20 H new ATOM 0 HD22 LEU A 58 -3.696 -7.168 -4.979 1.00 14.20 H new ATOM 0 HD23 LEU A 58 -1.985 -6.889 -5.384 1.00 14.20 H new ATOM 995 N GLU A 59 -0.227 -10.278 -1.824 1.00 55.44 N ATOM 996 CA GLU A 59 0.013 -10.781 -0.450 1.00 75.00 C ATOM 997 C GLU A 59 1.051 -9.904 0.295 1.00 51.51 C ATOM 998 O GLU A 59 1.000 -9.768 1.523 1.00 15.22 O ATOM 999 CB GLU A 59 0.462 -12.261 -0.488 1.00 33.34 C ATOM 1000 CG GLU A 59 -0.534 -13.218 -1.182 1.00 31.12 C ATOM 1001 CD GLU A 59 -0.189 -14.714 -1.016 1.00 21.34 C ATOM 1002 OE1 GLU A 59 1.001 -15.082 -1.130 1.00 44.43 O ATOM 1003 OE2 GLU A 59 -1.104 -15.528 -0.764 1.00 32.15 O ATOM 0 H GLU A 59 0.186 -10.859 -2.554 1.00 55.44 H new ATOM 0 HA GLU A 59 -0.925 -10.721 0.103 1.00 75.00 H new ATOM 0 HB2 GLU A 59 1.422 -12.323 -1.001 1.00 33.34 H new ATOM 0 HB3 GLU A 59 0.624 -12.604 0.534 1.00 33.34 H new ATOM 0 HG2 GLU A 59 -1.532 -13.040 -0.782 1.00 31.12 H new ATOM 0 HG3 GLU A 59 -0.570 -12.980 -2.245 1.00 31.12 H new ATOM 1010 N GLU A 60 1.991 -9.317 -0.464 1.00 64.40 N ATOM 1011 CA GLU A 60 2.927 -8.300 0.063 1.00 41.43 C ATOM 1012 C GLU A 60 2.156 -7.005 0.442 1.00 12.23 C ATOM 1013 O GLU A 60 2.503 -6.314 1.405 1.00 62.20 O ATOM 1014 CB GLU A 60 4.035 -8.006 -0.993 1.00 41.02 C ATOM 1015 CG GLU A 60 5.114 -6.975 -0.574 1.00 30.41 C ATOM 1016 CD GLU A 60 6.047 -7.440 0.565 1.00 15.01 C ATOM 1017 OE1 GLU A 60 5.666 -7.330 1.748 1.00 2.21 O ATOM 1018 OE2 GLU A 60 7.172 -7.906 0.280 1.00 54.14 O ATOM 0 H GLU A 60 2.126 -9.529 -1.453 1.00 64.40 H new ATOM 0 HA GLU A 60 3.404 -8.682 0.965 1.00 41.43 H new ATOM 0 HB2 GLU A 60 4.533 -8.944 -1.239 1.00 41.02 H new ATOM 0 HB3 GLU A 60 3.555 -7.650 -1.905 1.00 41.02 H new ATOM 0 HG2 GLU A 60 5.722 -6.732 -1.446 1.00 30.41 H new ATOM 0 HG3 GLU A 60 4.617 -6.055 -0.265 1.00 30.41 H new ATOM 1025 N TYR A 61 1.099 -6.686 -0.340 1.00 21.51 N ATOM 1026 CA TYR A 61 0.179 -5.564 -0.048 1.00 51.12 C ATOM 1027 C TYR A 61 -0.694 -5.839 1.199 1.00 40.21 C ATOM 1028 O TYR A 61 -1.002 -4.919 1.965 1.00 40.34 O ATOM 1029 CB TYR A 61 -0.704 -5.270 -1.277 1.00 63.25 C ATOM 1030 CG TYR A 61 -1.502 -3.970 -1.155 1.00 65.53 C ATOM 1031 CD1 TYR A 61 -0.853 -2.738 -1.172 1.00 51.52 C ATOM 1032 CD2 TYR A 61 -2.889 -3.969 -1.030 1.00 21.02 C ATOM 1033 CE1 TYR A 61 -1.550 -1.563 -1.077 1.00 54.03 C ATOM 1034 CE2 TYR A 61 -3.595 -2.787 -0.948 1.00 74.22 C ATOM 1035 CZ TYR A 61 -2.915 -1.587 -0.976 1.00 41.25 C ATOM 1036 OH TYR A 61 -3.597 -0.404 -0.931 1.00 74.15 O ATOM 0 H TYR A 61 0.861 -7.198 -1.189 1.00 21.51 H new ATOM 0 HA TYR A 61 0.786 -4.686 0.174 1.00 51.12 H new ATOM 0 HB2 TYR A 61 -0.073 -5.218 -2.164 1.00 63.25 H new ATOM 0 HB3 TYR A 61 -1.395 -6.100 -1.425 1.00 63.25 H new ATOM 0 HD1 TYR A 61 0.223 -2.709 -1.262 1.00 51.52 H new ATOM 0 HD2 TYR A 61 -3.420 -4.909 -0.997 1.00 21.02 H new ATOM 0 HE1 TYR A 61 -1.024 -0.620 -1.082 1.00 54.03 H new ATOM 0 HE2 TYR A 61 -4.672 -2.801 -0.863 1.00 74.22 H new ATOM 0 HH TYR A 61 -3.103 0.278 -1.433 1.00 74.15 H new ATOM 1046 N ASP A 62 -1.094 -7.111 1.374 1.00 11.32 N ATOM 1047 CA ASP A 62 -1.831 -7.586 2.570 1.00 53.00 C ATOM 1048 C ASP A 62 -1.017 -7.253 3.856 1.00 10.02 C ATOM 1049 O ASP A 62 -1.567 -6.801 4.862 1.00 41.41 O ATOM 1050 CB ASP A 62 -2.088 -9.117 2.429 1.00 61.11 C ATOM 1051 CG ASP A 62 -3.208 -9.667 3.338 1.00 24.13 C ATOM 1052 OD1 ASP A 62 -3.014 -9.744 4.570 1.00 21.32 O ATOM 1053 OD2 ASP A 62 -4.288 -10.039 2.820 1.00 62.44 O ATOM 0 H ASP A 62 -0.917 -7.846 0.689 1.00 11.32 H new ATOM 0 HA ASP A 62 -2.794 -7.081 2.651 1.00 53.00 H new ATOM 0 HB2 ASP A 62 -2.340 -9.336 1.391 1.00 61.11 H new ATOM 0 HB3 ASP A 62 -1.163 -9.649 2.651 1.00 61.11 H new ATOM 1058 N SER A 63 0.312 -7.444 3.755 1.00 24.23 N ATOM 1059 CA SER A 63 1.289 -7.071 4.806 1.00 11.34 C ATOM 1060 C SER A 63 1.273 -5.545 5.108 1.00 41.25 C ATOM 1061 O SER A 63 1.294 -5.137 6.270 1.00 61.24 O ATOM 1062 CB SER A 63 2.710 -7.493 4.369 1.00 3.01 C ATOM 1063 OG SER A 63 2.774 -8.865 4.009 1.00 45.44 O ATOM 0 H SER A 63 0.746 -7.866 2.934 1.00 24.23 H new ATOM 0 HA SER A 63 1.003 -7.593 5.719 1.00 11.34 H new ATOM 0 HB2 SER A 63 3.025 -6.882 3.523 1.00 3.01 H new ATOM 0 HB3 SER A 63 3.411 -7.299 5.181 1.00 3.01 H new ATOM 0 HG SER A 63 3.688 -9.090 3.738 1.00 45.44 H new ATOM 1069 N LEU A 64 1.219 -4.714 4.035 1.00 53.44 N ATOM 1070 CA LEU A 64 1.232 -3.227 4.130 1.00 21.22 C ATOM 1071 C LEU A 64 -0.012 -2.675 4.882 1.00 32.43 C ATOM 1072 O LEU A 64 0.038 -1.618 5.520 1.00 73.42 O ATOM 1073 CB LEU A 64 1.311 -2.612 2.704 1.00 35.33 C ATOM 1074 CG LEU A 64 1.545 -1.065 2.620 1.00 14.41 C ATOM 1075 CD1 LEU A 64 2.919 -0.668 3.209 1.00 61.14 C ATOM 1076 CD2 LEU A 64 1.378 -0.540 1.173 1.00 1.35 C ATOM 0 H LEU A 64 1.165 -5.056 3.075 1.00 53.44 H new ATOM 0 HA LEU A 64 2.111 -2.940 4.707 1.00 21.22 H new ATOM 0 HB2 LEU A 64 2.117 -3.108 2.163 1.00 35.33 H new ATOM 0 HB3 LEU A 64 0.384 -2.845 2.180 1.00 35.33 H new ATOM 0 HG LEU A 64 0.777 -0.588 3.229 1.00 14.41 H new ATOM 0 HD11 LEU A 64 3.048 0.412 3.135 1.00 61.14 H new ATOM 0 HD12 LEU A 64 2.966 -0.968 4.256 1.00 61.14 H new ATOM 0 HD13 LEU A 64 3.712 -1.168 2.652 1.00 61.14 H new ATOM 0 HD21 LEU A 64 1.548 0.537 1.155 1.00 1.35 H new ATOM 0 HD22 LEU A 64 2.100 -1.032 0.522 1.00 1.35 H new ATOM 0 HD23 LEU A 64 0.368 -0.754 0.823 1.00 1.35 H new ATOM 1088 N LEU A 65 -1.125 -3.415 4.793 1.00 51.51 N ATOM 1089 CA LEU A 65 -2.401 -3.057 5.455 1.00 45.31 C ATOM 1090 C LEU A 65 -2.341 -3.215 6.999 1.00 34.33 C ATOM 1091 O LEU A 65 -3.139 -2.606 7.720 1.00 50.24 O ATOM 1092 CB LEU A 65 -3.538 -3.892 4.829 1.00 1.51 C ATOM 1093 CG LEU A 65 -3.712 -3.678 3.292 1.00 24.33 C ATOM 1094 CD1 LEU A 65 -4.724 -4.657 2.685 1.00 23.12 C ATOM 1095 CD2 LEU A 65 -4.079 -2.210 2.980 1.00 54.54 C ATOM 0 H LEU A 65 -1.173 -4.283 4.260 1.00 51.51 H new ATOM 0 HA LEU A 65 -2.596 -1.998 5.286 1.00 45.31 H new ATOM 0 HB2 LEU A 65 -3.346 -4.948 5.019 1.00 1.51 H new ATOM 0 HB3 LEU A 65 -4.475 -3.643 5.328 1.00 1.51 H new ATOM 0 HG LEU A 65 -2.753 -3.891 2.820 1.00 24.33 H new ATOM 0 HD11 LEU A 65 -4.813 -4.471 1.615 1.00 23.12 H new ATOM 0 HD12 LEU A 65 -4.384 -5.680 2.849 1.00 23.12 H new ATOM 0 HD13 LEU A 65 -5.695 -4.517 3.159 1.00 23.12 H new ATOM 0 HD21 LEU A 65 -4.195 -2.085 1.903 1.00 54.54 H new ATOM 0 HD22 LEU A 65 -5.015 -1.955 3.478 1.00 54.54 H new ATOM 0 HD23 LEU A 65 -3.287 -1.553 3.338 1.00 54.54 H new ATOM 1107 N ASN A 66 -1.373 -4.016 7.488 1.00 12.02 N ATOM 1108 CA ASN A 66 -1.099 -4.178 8.939 1.00 64.31 C ATOM 1109 C ASN A 66 -0.112 -3.096 9.464 1.00 11.44 C ATOM 1110 O ASN A 66 0.038 -2.929 10.682 1.00 53.04 O ATOM 1111 CB ASN A 66 -0.528 -5.594 9.227 1.00 64.22 C ATOM 1112 CG ASN A 66 -1.481 -6.719 8.815 1.00 53.12 C ATOM 1113 OD1 ASN A 66 -2.335 -7.139 9.582 1.00 44.35 O ATOM 1114 ND2 ASN A 66 -1.339 -7.212 7.602 1.00 40.53 N ATOM 0 H ASN A 66 -0.757 -4.570 6.893 1.00 12.02 H new ATOM 0 HA ASN A 66 -2.046 -4.054 9.465 1.00 64.31 H new ATOM 0 HB2 ASN A 66 0.417 -5.713 8.697 1.00 64.22 H new ATOM 0 HB3 ASN A 66 -0.310 -5.682 10.291 1.00 64.22 H new ATOM 0 HD21 ASN A 66 -1.950 -7.963 7.282 1.00 40.53 H new ATOM 0 HD22 ASN A 66 -0.618 -6.843 6.983 1.00 40.53 H new ATOM 1121 N GLU A 67 0.556 -2.369 8.541 1.00 0.34 N ATOM 1122 CA GLU A 67 1.596 -1.369 8.895 1.00 41.54 C ATOM 1123 C GLU A 67 0.994 -0.028 9.381 1.00 54.41 C ATOM 1124 O GLU A 67 -0.187 0.266 9.154 1.00 53.10 O ATOM 1125 CB GLU A 67 2.548 -1.126 7.688 1.00 73.42 C ATOM 1126 CG GLU A 67 3.208 -2.397 7.116 1.00 43.12 C ATOM 1127 CD GLU A 67 4.016 -3.214 8.139 1.00 72.11 C ATOM 1128 OE1 GLU A 67 5.178 -2.848 8.425 1.00 42.30 O ATOM 1129 OE2 GLU A 67 3.504 -4.235 8.648 1.00 5.41 O ATOM 0 H GLU A 67 0.394 -2.455 7.538 1.00 0.34 H new ATOM 0 HA GLU A 67 2.164 -1.784 9.728 1.00 41.54 H new ATOM 0 HB2 GLU A 67 1.985 -0.637 6.893 1.00 73.42 H new ATOM 0 HB3 GLU A 67 3.332 -0.434 7.996 1.00 73.42 H new ATOM 0 HG2 GLU A 67 2.432 -3.035 6.693 1.00 43.12 H new ATOM 0 HG3 GLU A 67 3.867 -2.111 6.297 1.00 43.12 H new ATOM 1136 N LEU A 68 1.848 0.779 10.033 1.00 52.13 N ATOM 1137 CA LEU A 68 1.464 2.065 10.650 1.00 62.44 C ATOM 1138 C LEU A 68 1.313 3.193 9.600 1.00 0.33 C ATOM 1139 O LEU A 68 2.189 3.373 8.757 1.00 2.24 O ATOM 1140 CB LEU A 68 2.518 2.453 11.714 1.00 73.52 C ATOM 1141 CG LEU A 68 2.774 1.402 12.839 1.00 64.22 C ATOM 1142 CD1 LEU A 68 3.887 1.870 13.802 1.00 1.24 C ATOM 1143 CD2 LEU A 68 1.463 1.078 13.593 1.00 1.10 C ATOM 0 H LEU A 68 2.837 0.556 10.149 1.00 52.13 H new ATOM 0 HA LEU A 68 0.489 1.939 11.121 1.00 62.44 H new ATOM 0 HB2 LEU A 68 3.462 2.650 11.206 1.00 73.52 H new ATOM 0 HB3 LEU A 68 2.207 3.387 12.181 1.00 73.52 H new ATOM 0 HG LEU A 68 3.123 0.482 12.371 1.00 64.22 H new ATOM 0 HD11 LEU A 68 4.041 1.116 14.574 1.00 1.24 H new ATOM 0 HD12 LEU A 68 4.813 2.014 13.245 1.00 1.24 H new ATOM 0 HD13 LEU A 68 3.594 2.811 14.267 1.00 1.24 H new ATOM 0 HD21 LEU A 68 1.664 0.343 14.373 1.00 1.10 H new ATOM 0 HD22 LEU A 68 1.069 1.988 14.045 1.00 1.10 H new ATOM 0 HD23 LEU A 68 0.731 0.674 12.893 1.00 1.10 H new ATOM 1155 N ASP A 69 0.204 3.944 9.704 1.00 1.14 N ATOM 1156 CA ASP A 69 -0.210 4.996 8.736 1.00 52.34 C ATOM 1157 C ASP A 69 0.904 5.997 8.317 1.00 31.50 C ATOM 1158 O ASP A 69 1.324 5.990 7.147 1.00 75.45 O ATOM 1159 CB ASP A 69 -1.425 5.759 9.306 1.00 43.12 C ATOM 1160 CG ASP A 69 -2.737 4.982 9.181 1.00 71.12 C ATOM 1161 OD1 ASP A 69 -2.825 3.842 9.691 1.00 62.12 O ATOM 1162 OD2 ASP A 69 -3.671 5.491 8.543 1.00 11.14 O ATOM 0 H ASP A 69 -0.451 3.841 10.479 1.00 1.14 H new ATOM 0 HA ASP A 69 -0.464 4.468 7.817 1.00 52.34 H new ATOM 0 HB2 ASP A 69 -1.243 5.986 10.357 1.00 43.12 H new ATOM 0 HB3 ASP A 69 -1.524 6.712 8.786 1.00 43.12 H new ATOM 1167 N TRP A 70 1.355 6.868 9.251 1.00 13.33 N ATOM 1168 CA TRP A 70 2.423 7.863 8.955 1.00 41.21 C ATOM 1169 C TRP A 70 3.709 7.179 8.442 1.00 34.44 C ATOM 1170 O TRP A 70 4.338 7.679 7.516 1.00 54.44 O ATOM 1171 CB TRP A 70 2.758 8.767 10.178 1.00 1.02 C ATOM 1172 CG TRP A 70 1.815 9.936 10.400 1.00 34.24 C ATOM 1173 CD1 TRP A 70 1.034 10.176 11.498 1.00 62.14 C ATOM 1174 CD2 TRP A 70 1.575 11.039 9.497 1.00 54.43 C ATOM 1175 NE1 TRP A 70 0.350 11.352 11.344 1.00 65.01 N ATOM 1176 CE2 TRP A 70 0.652 11.894 10.125 1.00 71.35 C ATOM 1177 CE3 TRP A 70 2.049 11.385 8.221 1.00 45.10 C ATOM 1178 CZ2 TRP A 70 0.197 13.070 9.532 1.00 30.40 C ATOM 1179 CZ3 TRP A 70 1.594 12.551 7.628 1.00 41.24 C ATOM 1180 CH2 TRP A 70 0.675 13.381 8.285 1.00 61.30 C ATOM 0 H TRP A 70 1.003 6.905 10.207 1.00 13.33 H new ATOM 0 HA TRP A 70 2.024 8.503 8.168 1.00 41.21 H new ATOM 0 HB2 TRP A 70 2.761 8.149 11.076 1.00 1.02 H new ATOM 0 HB3 TRP A 70 3.769 9.156 10.055 1.00 1.02 H new ATOM 0 HD1 TRP A 70 0.967 9.531 12.361 1.00 62.14 H new ATOM 0 HE1 TRP A 70 -0.285 11.760 12.030 1.00 65.01 H new ATOM 0 HE3 TRP A 70 2.758 10.751 7.710 1.00 45.10 H new ATOM 0 HZ2 TRP A 70 -0.508 13.714 10.037 1.00 30.40 H new ATOM 0 HZ3 TRP A 70 1.952 12.824 6.646 1.00 41.24 H new ATOM 0 HH2 TRP A 70 0.336 14.284 7.799 1.00 61.30 H new ATOM 1191 N ASP A 71 4.054 6.007 9.014 1.00 61.31 N ATOM 1192 CA ASP A 71 5.277 5.265 8.632 1.00 0.23 C ATOM 1193 C ASP A 71 5.257 4.883 7.130 1.00 53.45 C ATOM 1194 O ASP A 71 6.224 5.140 6.422 1.00 35.13 O ATOM 1195 CB ASP A 71 5.447 4.023 9.538 1.00 21.44 C ATOM 1196 CG ASP A 71 5.771 4.410 10.992 1.00 12.12 C ATOM 1197 OD1 ASP A 71 4.849 4.793 11.739 1.00 40.33 O ATOM 1198 OD2 ASP A 71 6.955 4.377 11.380 1.00 11.02 O ATOM 0 H ASP A 71 3.504 5.553 9.743 1.00 61.31 H new ATOM 0 HA ASP A 71 6.140 5.914 8.780 1.00 0.23 H new ATOM 0 HB2 ASP A 71 4.533 3.430 9.516 1.00 21.44 H new ATOM 0 HB3 ASP A 71 6.245 3.393 9.144 1.00 21.44 H new ATOM 1203 N ILE A 72 4.120 4.328 6.664 1.00 71.23 N ATOM 1204 CA ILE A 72 3.872 4.017 5.226 1.00 51.40 C ATOM 1205 C ILE A 72 4.094 5.260 4.330 1.00 22.12 C ATOM 1206 O ILE A 72 4.747 5.184 3.283 1.00 65.22 O ATOM 1207 CB ILE A 72 2.401 3.483 5.024 1.00 51.04 C ATOM 1208 CG1 ILE A 72 2.184 2.152 5.808 1.00 33.05 C ATOM 1209 CG2 ILE A 72 2.043 3.304 3.524 1.00 72.54 C ATOM 1210 CD1 ILE A 72 0.754 1.636 5.801 1.00 23.21 C ATOM 0 H ILE A 72 3.339 4.079 7.271 1.00 71.23 H new ATOM 0 HA ILE A 72 4.585 3.247 4.932 1.00 51.40 H new ATOM 0 HB ILE A 72 1.726 4.239 5.426 1.00 51.04 H new ATOM 0 HG12 ILE A 72 2.834 1.387 5.384 1.00 33.05 H new ATOM 0 HG13 ILE A 72 2.497 2.300 6.841 1.00 33.05 H new ATOM 0 HG21 ILE A 72 1.021 2.935 3.435 1.00 72.54 H new ATOM 0 HG22 ILE A 72 2.128 4.263 3.013 1.00 72.54 H new ATOM 0 HG23 ILE A 72 2.728 2.588 3.069 1.00 72.54 H new ATOM 0 HD11 ILE A 72 0.699 0.708 6.370 1.00 23.21 H new ATOM 0 HD12 ILE A 72 0.097 2.379 6.254 1.00 23.21 H new ATOM 0 HD13 ILE A 72 0.439 1.451 4.774 1.00 23.21 H new ATOM 1222 N TYR A 73 3.550 6.399 4.788 1.00 64.13 N ATOM 1223 CA TYR A 73 3.628 7.687 4.077 1.00 34.53 C ATOM 1224 C TYR A 73 5.097 8.162 3.903 1.00 2.12 C ATOM 1225 O TYR A 73 5.486 8.608 2.826 1.00 1.24 O ATOM 1226 CB TYR A 73 2.786 8.745 4.841 1.00 31.22 C ATOM 1227 CG TYR A 73 2.773 10.131 4.188 1.00 12.41 C ATOM 1228 CD1 TYR A 73 1.979 10.382 3.067 1.00 52.22 C ATOM 1229 CD2 TYR A 73 3.573 11.177 4.670 1.00 25.14 C ATOM 1230 CE1 TYR A 73 1.979 11.619 2.455 1.00 72.43 C ATOM 1231 CE2 TYR A 73 3.577 12.414 4.055 1.00 61.12 C ATOM 1232 CZ TYR A 73 2.776 12.630 2.951 1.00 61.22 C ATOM 1233 OH TYR A 73 2.784 13.862 2.330 1.00 44.31 O ATOM 0 H TYR A 73 3.039 6.453 5.669 1.00 64.13 H new ATOM 0 HA TYR A 73 3.221 7.556 3.074 1.00 34.53 H new ATOM 0 HB2 TYR A 73 1.760 8.385 4.924 1.00 31.22 H new ATOM 0 HB3 TYR A 73 3.174 8.838 5.855 1.00 31.22 H new ATOM 0 HD1 TYR A 73 1.354 9.595 2.672 1.00 52.22 H new ATOM 0 HD2 TYR A 73 4.196 11.013 5.536 1.00 25.14 H new ATOM 0 HE1 TYR A 73 1.357 11.795 1.590 1.00 72.43 H new ATOM 0 HE2 TYR A 73 4.203 13.208 4.435 1.00 61.12 H new ATOM 0 HH TYR A 73 1.921 14.012 1.890 1.00 44.31 H new ATOM 1243 N TYR A 74 5.901 8.044 4.973 1.00 40.52 N ATOM 1244 CA TYR A 74 7.305 8.521 4.981 1.00 43.33 C ATOM 1245 C TYR A 74 8.271 7.553 4.266 1.00 42.24 C ATOM 1246 O TYR A 74 9.318 7.980 3.779 1.00 2.13 O ATOM 1247 CB TYR A 74 7.773 8.795 6.420 1.00 13.44 C ATOM 1248 CG TYR A 74 7.097 10.013 7.069 1.00 14.20 C ATOM 1249 CD1 TYR A 74 7.384 11.310 6.641 1.00 12.54 C ATOM 1250 CD2 TYR A 74 6.180 9.870 8.103 1.00 51.32 C ATOM 1251 CE1 TYR A 74 6.781 12.410 7.223 1.00 32.11 C ATOM 1252 CE2 TYR A 74 5.574 10.962 8.683 1.00 33.51 C ATOM 1253 CZ TYR A 74 5.876 12.227 8.242 1.00 33.13 C ATOM 1254 OH TYR A 74 5.272 13.314 8.834 1.00 33.12 O ATOM 0 H TYR A 74 5.605 7.620 5.852 1.00 40.52 H new ATOM 0 HA TYR A 74 7.325 9.453 4.416 1.00 43.33 H new ATOM 0 HB2 TYR A 74 7.576 7.914 7.030 1.00 13.44 H new ATOM 0 HB3 TYR A 74 8.852 8.948 6.419 1.00 13.44 H new ATOM 0 HD1 TYR A 74 8.092 11.458 5.839 1.00 12.54 H new ATOM 0 HD2 TYR A 74 5.937 8.880 8.460 1.00 51.32 H new ATOM 0 HE1 TYR A 74 7.019 13.406 6.880 1.00 32.11 H new ATOM 0 HE2 TYR A 74 4.862 10.824 9.483 1.00 33.51 H new ATOM 0 HH TYR A 74 4.660 13.007 9.535 1.00 33.12 H new ATOM 1264 N TRP A 75 7.931 6.252 4.220 1.00 13.42 N ATOM 1265 CA TRP A 75 8.672 5.272 3.392 1.00 1.43 C ATOM 1266 C TRP A 75 8.442 5.558 1.890 1.00 61.50 C ATOM 1267 O TRP A 75 9.362 5.469 1.071 1.00 24.31 O ATOM 1268 CB TRP A 75 8.234 3.822 3.712 1.00 51.14 C ATOM 1269 CG TRP A 75 8.397 3.391 5.150 1.00 33.10 C ATOM 1270 CD1 TRP A 75 9.301 3.851 6.075 1.00 70.25 C ATOM 1271 CD2 TRP A 75 7.626 2.382 5.817 1.00 14.13 C ATOM 1272 NE1 TRP A 75 9.123 3.200 7.268 1.00 11.35 N ATOM 1273 CE2 TRP A 75 8.104 2.293 7.133 1.00 50.11 C ATOM 1274 CE3 TRP A 75 6.574 1.549 5.422 1.00 42.23 C ATOM 1275 CZ2 TRP A 75 7.564 1.410 8.062 1.00 24.30 C ATOM 1276 CZ3 TRP A 75 6.037 0.674 6.343 1.00 65.01 C ATOM 1277 CH2 TRP A 75 6.536 0.605 7.650 1.00 62.03 C ATOM 0 H TRP A 75 7.152 5.852 4.743 1.00 13.42 H new ATOM 0 HA TRP A 75 9.732 5.375 3.626 1.00 1.43 H new ATOM 0 HB2 TRP A 75 7.186 3.709 3.435 1.00 51.14 H new ATOM 0 HB3 TRP A 75 8.806 3.142 3.081 1.00 51.14 H new ATOM 0 HD1 TRP A 75 10.043 4.614 5.890 1.00 70.25 H new ATOM 0 HE1 TRP A 75 9.662 3.364 8.119 1.00 11.35 H new ATOM 0 HE3 TRP A 75 6.189 1.590 4.414 1.00 42.23 H new ATOM 0 HZ2 TRP A 75 7.942 1.361 9.072 1.00 24.30 H new ATOM 0 HZ3 TRP A 75 5.219 0.032 6.052 1.00 65.01 H new ATOM 0 HH2 TRP A 75 6.101 -0.097 8.346 1.00 62.03 H new ATOM 1288 N ALA A 76 7.184 5.897 1.566 1.00 62.51 N ATOM 1289 CA ALA A 76 6.751 6.237 0.200 1.00 25.10 C ATOM 1290 C ALA A 76 7.371 7.571 -0.300 1.00 32.30 C ATOM 1291 O ALA A 76 7.740 7.696 -1.470 1.00 44.22 O ATOM 1292 CB ALA A 76 5.220 6.296 0.169 1.00 3.55 C ATOM 0 H ALA A 76 6.431 5.943 2.252 1.00 62.51 H new ATOM 0 HA ALA A 76 7.106 5.463 -0.480 1.00 25.10 H new ATOM 0 HB1 ALA A 76 4.886 6.547 -0.838 1.00 3.55 H new ATOM 0 HB2 ALA A 76 4.813 5.326 0.455 1.00 3.55 H new ATOM 0 HB3 ALA A 76 4.871 7.057 0.867 1.00 3.55 H new ATOM 1298 N THR A 77 7.473 8.564 0.604 1.00 42.35 N ATOM 1299 CA THR A 77 8.088 9.887 0.295 1.00 72.01 C ATOM 1300 C THR A 77 9.623 9.889 0.513 1.00 55.42 C ATOM 1301 O THR A 77 10.293 10.888 0.213 1.00 54.01 O ATOM 1302 CB THR A 77 7.451 11.034 1.152 1.00 3.14 C ATOM 1303 OG1 THR A 77 7.635 10.764 2.554 1.00 13.23 O ATOM 1304 CG2 THR A 77 5.951 11.217 0.857 1.00 51.03 C ATOM 0 H THR A 77 7.137 8.482 1.564 1.00 42.35 H new ATOM 0 HA THR A 77 7.886 10.069 -0.761 1.00 72.01 H new ATOM 0 HB THR A 77 7.959 11.959 0.880 1.00 3.14 H new ATOM 0 HG1 THR A 77 7.103 11.395 3.081 1.00 13.23 H new ATOM 0 HG21 THR A 77 5.554 12.023 1.475 1.00 51.03 H new ATOM 0 HG22 THR A 77 5.815 11.466 -0.195 1.00 51.03 H new ATOM 0 HG23 THR A 77 5.420 10.292 1.083 1.00 51.03 H new ATOM 1312 N LYS A 78 10.153 8.768 1.063 1.00 74.41 N ATOM 1313 CA LYS A 78 11.597 8.564 1.365 1.00 23.11 C ATOM 1314 C LYS A 78 12.116 9.567 2.460 1.00 74.45 C ATOM 1315 O LYS A 78 13.323 9.809 2.607 1.00 64.14 O ATOM 1316 CB LYS A 78 12.440 8.603 0.042 1.00 24.24 C ATOM 1317 CG LYS A 78 13.850 7.980 0.146 1.00 32.25 C ATOM 1318 CD LYS A 78 14.599 7.950 -1.209 1.00 3.04 C ATOM 1319 CE LYS A 78 16.008 7.340 -1.087 1.00 5.03 C ATOM 1320 NZ LYS A 78 16.714 7.269 -2.395 1.00 21.10 N ATOM 0 H LYS A 78 9.579 7.963 1.315 1.00 74.41 H new ATOM 0 HA LYS A 78 11.724 7.572 1.799 1.00 23.11 H new ATOM 0 HB2 LYS A 78 11.886 8.082 -0.739 1.00 24.24 H new ATOM 0 HB3 LYS A 78 12.541 9.641 -0.276 1.00 24.24 H new ATOM 0 HG2 LYS A 78 14.439 8.546 0.868 1.00 32.25 H new ATOM 0 HG3 LYS A 78 13.765 6.964 0.530 1.00 32.25 H new ATOM 0 HD2 LYS A 78 14.018 7.375 -1.930 1.00 3.04 H new ATOM 0 HD3 LYS A 78 14.678 8.964 -1.600 1.00 3.04 H new ATOM 0 HE2 LYS A 78 16.599 7.935 -0.391 1.00 5.03 H new ATOM 0 HE3 LYS A 78 15.931 6.338 -0.664 1.00 5.03 H new ATOM 0 HZ1 LYS A 78 17.657 6.851 -2.258 1.00 21.10 H new ATOM 0 HZ2 LYS A 78 16.166 6.679 -3.054 1.00 21.10 H new ATOM 0 HZ3 LYS A 78 16.813 8.227 -2.788 1.00 21.10 H new ATOM 1334 N ASN A 79 11.168 10.101 3.262 1.00 72.12 N ATOM 1335 CA ASN A 79 11.452 11.029 4.383 1.00 53.14 C ATOM 1336 C ASN A 79 11.611 10.244 5.706 1.00 41.21 C ATOM 1337 O ASN A 79 10.700 10.201 6.542 1.00 31.22 O ATOM 1338 CB ASN A 79 10.326 12.092 4.507 1.00 21.33 C ATOM 1339 CG ASN A 79 10.227 13.024 3.303 1.00 63.00 C ATOM 1340 OD1 ASN A 79 11.223 13.371 2.688 1.00 72.55 O ATOM 1341 ND2 ASN A 79 9.027 13.437 2.959 1.00 43.14 N ATOM 0 H ASN A 79 10.175 9.899 3.149 1.00 72.12 H new ATOM 0 HA ASN A 79 12.389 11.546 4.177 1.00 53.14 H new ATOM 0 HB2 ASN A 79 9.371 11.583 4.641 1.00 21.33 H new ATOM 0 HB3 ASN A 79 10.498 12.688 5.403 1.00 21.33 H new ATOM 0 HD21 ASN A 79 8.912 14.062 2.161 1.00 43.14 H new ATOM 0 HD22 ASN A 79 8.211 13.132 3.490 1.00 43.14 H new ATOM 1348 N PHE A 80 12.790 9.634 5.900 1.00 12.44 N ATOM 1349 CA PHE A 80 13.049 8.724 7.046 1.00 63.50 C ATOM 1350 C PHE A 80 13.432 9.477 8.356 1.00 72.14 C ATOM 1351 O PHE A 80 13.821 8.848 9.347 1.00 4.05 O ATOM 1352 CB PHE A 80 14.142 7.694 6.654 1.00 65.44 C ATOM 1353 CG PHE A 80 13.814 6.894 5.384 1.00 2.42 C ATOM 1354 CD1 PHE A 80 12.565 6.290 5.215 1.00 50.23 C ATOM 1355 CD2 PHE A 80 14.758 6.736 4.369 1.00 73.42 C ATOM 1356 CE1 PHE A 80 12.271 5.578 4.067 1.00 2.13 C ATOM 1357 CE2 PHE A 80 14.460 6.020 3.223 1.00 15.21 C ATOM 1358 CZ PHE A 80 13.220 5.435 3.076 1.00 3.23 C ATOM 0 H PHE A 80 13.590 9.750 5.278 1.00 12.44 H new ATOM 0 HA PHE A 80 12.116 8.205 7.266 1.00 63.50 H new ATOM 0 HB2 PHE A 80 15.086 8.218 6.508 1.00 65.44 H new ATOM 0 HB3 PHE A 80 14.287 7.000 7.482 1.00 65.44 H new ATOM 0 HD1 PHE A 80 11.820 6.381 5.991 1.00 50.23 H new ATOM 0 HD2 PHE A 80 15.737 7.179 4.479 1.00 73.42 H new ATOM 0 HE1 PHE A 80 11.295 5.132 3.946 1.00 2.13 H new ATOM 0 HE2 PHE A 80 15.200 5.919 2.443 1.00 15.21 H new ATOM 0 HZ PHE A 80 12.992 4.866 2.187 1.00 3.23 H new ATOM 1368 N LYS A 81 13.277 10.817 8.357 1.00 30.31 N ATOM 1369 CA LYS A 81 13.564 11.683 9.530 1.00 52.55 C ATOM 1370 C LYS A 81 12.679 11.332 10.757 1.00 75.11 C ATOM 1371 O LYS A 81 13.161 11.290 11.893 1.00 14.14 O ATOM 1372 CB LYS A 81 13.348 13.173 9.161 1.00 63.22 C ATOM 1373 CG LYS A 81 14.218 13.698 7.996 1.00 31.40 C ATOM 1374 CD LYS A 81 14.072 15.227 7.789 1.00 54.11 C ATOM 1375 CE LYS A 81 14.593 16.042 8.990 1.00 35.20 C ATOM 1376 NZ LYS A 81 14.367 17.496 8.820 1.00 73.20 N ATOM 0 H LYS A 81 12.948 11.336 7.543 1.00 30.31 H new ATOM 0 HA LYS A 81 14.604 11.507 9.804 1.00 52.55 H new ATOM 0 HB2 LYS A 81 12.299 13.318 8.903 1.00 63.22 H new ATOM 0 HB3 LYS A 81 13.546 13.781 10.044 1.00 63.22 H new ATOM 0 HG2 LYS A 81 15.263 13.459 8.191 1.00 31.40 H new ATOM 0 HG3 LYS A 81 13.939 13.182 7.077 1.00 31.40 H new ATOM 0 HD2 LYS A 81 14.616 15.522 6.892 1.00 54.11 H new ATOM 0 HD3 LYS A 81 13.023 15.468 7.619 1.00 54.11 H new ATOM 0 HE2 LYS A 81 14.097 15.703 9.900 1.00 35.20 H new ATOM 0 HE3 LYS A 81 15.659 15.854 9.119 1.00 35.20 H new ATOM 0 HZ1 LYS A 81 14.733 18.004 9.651 1.00 73.20 H new ATOM 0 HZ2 LYS A 81 14.861 17.827 7.967 1.00 73.20 H new ATOM 0 HZ3 LYS A 81 13.348 17.680 8.723 1.00 73.20 H new ATOM 1390 N THR A 82 11.378 11.110 10.502 1.00 43.25 N ATOM 1391 CA THR A 82 10.387 10.741 11.548 1.00 32.21 C ATOM 1392 C THR A 82 10.204 9.210 11.617 1.00 0.13 C ATOM 1393 O THR A 82 10.024 8.631 12.693 1.00 23.12 O ATOM 1394 CB THR A 82 8.991 11.375 11.237 1.00 12.12 C ATOM 1395 OG1 THR A 82 8.448 10.773 10.051 1.00 50.20 O ATOM 1396 CG2 THR A 82 9.070 12.890 11.016 1.00 23.35 C ATOM 0 H THR A 82 10.976 11.179 9.567 1.00 43.25 H new ATOM 0 HA THR A 82 10.769 11.116 12.498 1.00 32.21 H new ATOM 0 HB THR A 82 8.355 11.191 12.103 1.00 12.12 H new ATOM 0 HG1 THR A 82 7.528 11.083 9.919 1.00 50.20 H new ATOM 0 HG21 THR A 82 8.074 13.279 10.804 1.00 23.35 H new ATOM 0 HG22 THR A 82 9.463 13.369 11.913 1.00 23.35 H new ATOM 0 HG23 THR A 82 9.729 13.101 10.174 1.00 23.35 H new ATOM 1404 N SER A 83 10.253 8.575 10.434 1.00 62.21 N ATOM 1405 CA SER A 83 9.904 7.154 10.242 1.00 22.44 C ATOM 1406 C SER A 83 10.952 6.445 9.355 1.00 50.12 C ATOM 1407 O SER A 83 10.817 6.432 8.125 1.00 21.12 O ATOM 1408 CB SER A 83 8.488 7.060 9.621 1.00 1.13 C ATOM 1409 OG SER A 83 7.483 7.407 10.558 1.00 12.05 O ATOM 0 H SER A 83 10.540 9.039 9.572 1.00 62.21 H new ATOM 0 HA SER A 83 9.903 6.647 11.207 1.00 22.44 H new ATOM 0 HB2 SER A 83 8.424 7.721 8.757 1.00 1.13 H new ATOM 0 HB3 SER A 83 8.315 6.046 9.260 1.00 1.13 H new ATOM 0 HG SER A 83 6.662 7.650 10.082 1.00 12.05 H new ATOM 1415 N PRO A 84 12.058 5.899 9.967 1.00 30.34 N ATOM 1416 CA PRO A 84 13.081 5.107 9.228 1.00 50.53 C ATOM 1417 C PRO A 84 12.509 3.825 8.570 1.00 44.23 C ATOM 1418 O PRO A 84 11.529 3.245 9.055 1.00 73.23 O ATOM 1419 CB PRO A 84 14.134 4.756 10.319 1.00 32.21 C ATOM 1420 CG PRO A 84 13.919 5.781 11.391 1.00 64.31 C ATOM 1421 CD PRO A 84 12.429 6.040 11.401 1.00 45.20 C ATOM 0 HA PRO A 84 13.492 5.671 8.391 1.00 50.53 H new ATOM 0 HB2 PRO A 84 13.988 3.746 10.701 1.00 32.21 H new ATOM 0 HB3 PRO A 84 15.148 4.803 9.922 1.00 32.21 H new ATOM 0 HG2 PRO A 84 14.261 5.416 12.359 1.00 64.31 H new ATOM 0 HG3 PRO A 84 14.476 6.694 11.180 1.00 64.31 H new ATOM 0 HD2 PRO A 84 11.898 5.323 12.028 1.00 45.20 H new ATOM 0 HD3 PRO A 84 12.194 7.033 11.783 1.00 45.20 H new ATOM 1429 N LEU A 85 13.145 3.392 7.472 1.00 30.54 N ATOM 1430 CA LEU A 85 12.739 2.194 6.721 1.00 60.12 C ATOM 1431 C LEU A 85 13.267 0.905 7.398 1.00 3.51 C ATOM 1432 O LEU A 85 14.482 0.776 7.596 1.00 44.30 O ATOM 1433 CB LEU A 85 13.275 2.279 5.270 1.00 11.40 C ATOM 1434 CG LEU A 85 12.735 1.200 4.290 1.00 33.51 C ATOM 1435 CD1 LEU A 85 11.204 1.321 4.127 1.00 22.12 C ATOM 1436 CD2 LEU A 85 13.460 1.272 2.931 1.00 31.55 C ATOM 0 H LEU A 85 13.959 3.864 7.078 1.00 30.54 H new ATOM 0 HA LEU A 85 11.650 2.152 6.709 1.00 60.12 H new ATOM 0 HB2 LEU A 85 13.031 3.263 4.869 1.00 11.40 H new ATOM 0 HB3 LEU A 85 14.362 2.207 5.299 1.00 11.40 H new ATOM 0 HG LEU A 85 12.943 0.219 4.717 1.00 33.51 H new ATOM 0 HD11 LEU A 85 10.850 0.555 3.437 1.00 22.12 H new ATOM 0 HD12 LEU A 85 10.723 1.186 5.096 1.00 22.12 H new ATOM 0 HD13 LEU A 85 10.957 2.307 3.733 1.00 22.12 H new ATOM 0 HD21 LEU A 85 13.062 0.506 2.265 1.00 31.55 H new ATOM 0 HD22 LEU A 85 13.304 2.255 2.487 1.00 31.55 H new ATOM 0 HD23 LEU A 85 14.527 1.106 3.079 1.00 31.55 H new ATOM 1448 N PRO A 86 12.369 -0.068 7.772 1.00 53.12 N ATOM 1449 CA PRO A 86 12.788 -1.400 8.261 1.00 33.42 C ATOM 1450 C PRO A 86 13.311 -2.302 7.110 1.00 51.15 C ATOM 1451 O PRO A 86 12.914 -2.141 5.945 1.00 22.13 O ATOM 1452 CB PRO A 86 11.493 -1.983 8.917 1.00 32.51 C ATOM 1453 CG PRO A 86 10.512 -0.842 8.944 1.00 52.24 C ATOM 1454 CD PRO A 86 10.893 0.043 7.782 1.00 75.11 C ATOM 0 HA PRO A 86 13.620 -1.343 8.962 1.00 33.42 H new ATOM 0 HB2 PRO A 86 11.104 -2.822 8.341 1.00 32.51 H new ATOM 0 HB3 PRO A 86 11.694 -2.353 9.923 1.00 32.51 H new ATOM 0 HG2 PRO A 86 9.488 -1.202 8.844 1.00 52.24 H new ATOM 0 HG3 PRO A 86 10.568 -0.298 9.887 1.00 52.24 H new ATOM 0 HD2 PRO A 86 10.453 -0.302 6.846 1.00 75.11 H new ATOM 0 HD3 PRO A 86 10.563 1.072 7.929 1.00 75.11 H new ATOM 1462 N ASP A 87 14.183 -3.260 7.470 1.00 11.02 N ATOM 1463 CA ASP A 87 14.865 -4.169 6.514 1.00 1.21 C ATOM 1464 C ASP A 87 13.871 -4.992 5.647 1.00 53.45 C ATOM 1465 O ASP A 87 14.175 -5.322 4.499 1.00 23.40 O ATOM 1466 CB ASP A 87 15.816 -5.119 7.283 1.00 61.03 C ATOM 1467 CG ASP A 87 16.878 -4.361 8.100 1.00 50.13 C ATOM 1468 OD1 ASP A 87 16.568 -3.922 9.230 1.00 3.21 O ATOM 1469 OD2 ASP A 87 18.017 -4.192 7.616 1.00 11.53 O ATOM 0 H ASP A 87 14.441 -3.432 8.442 1.00 11.02 H new ATOM 0 HA ASP A 87 15.436 -3.544 5.828 1.00 1.21 H new ATOM 0 HB2 ASP A 87 15.230 -5.750 7.952 1.00 61.03 H new ATOM 0 HB3 ASP A 87 16.313 -5.781 6.574 1.00 61.03 H new ATOM 1474 N LYS A 88 12.684 -5.298 6.215 1.00 4.30 N ATOM 1475 CA LYS A 88 11.587 -5.995 5.499 1.00 44.42 C ATOM 1476 C LYS A 88 11.169 -5.264 4.185 1.00 3.45 C ATOM 1477 O LYS A 88 11.108 -5.885 3.116 1.00 63.41 O ATOM 1478 CB LYS A 88 10.361 -6.193 6.445 1.00 13.04 C ATOM 1479 CG LYS A 88 9.827 -4.901 7.118 1.00 72.01 C ATOM 1480 CD LYS A 88 8.554 -5.125 7.974 1.00 10.11 C ATOM 1481 CE LYS A 88 7.351 -5.596 7.146 1.00 12.00 C ATOM 1482 NZ LYS A 88 6.120 -5.740 7.960 1.00 3.14 N ATOM 0 H LYS A 88 12.457 -5.070 7.183 1.00 4.30 H new ATOM 0 HA LYS A 88 11.965 -6.973 5.202 1.00 44.42 H new ATOM 0 HB2 LYS A 88 9.551 -6.646 5.873 1.00 13.04 H new ATOM 0 HB3 LYS A 88 10.636 -6.902 7.225 1.00 13.04 H new ATOM 0 HG2 LYS A 88 10.610 -4.481 7.750 1.00 72.01 H new ATOM 0 HG3 LYS A 88 9.610 -4.163 6.346 1.00 72.01 H new ATOM 0 HD2 LYS A 88 8.768 -5.863 8.747 1.00 10.11 H new ATOM 0 HD3 LYS A 88 8.297 -4.196 8.483 1.00 10.11 H new ATOM 0 HE2 LYS A 88 7.168 -4.885 6.340 1.00 12.00 H new ATOM 0 HE3 LYS A 88 7.588 -6.552 6.680 1.00 12.00 H new ATOM 0 HZ1 LYS A 88 5.302 -5.877 7.332 1.00 3.14 H new ATOM 0 HZ2 LYS A 88 6.214 -6.562 8.590 1.00 3.14 H new ATOM 0 HZ3 LYS A 88 5.979 -4.882 8.530 1.00 3.14 H new ATOM 1496 N TRP A 89 10.933 -3.939 4.265 1.00 62.51 N ATOM 1497 CA TRP A 89 10.462 -3.134 3.105 1.00 20.14 C ATOM 1498 C TRP A 89 11.622 -2.688 2.195 1.00 14.33 C ATOM 1499 O TRP A 89 11.395 -2.358 1.028 1.00 60.31 O ATOM 1500 CB TRP A 89 9.644 -1.906 3.578 1.00 24.05 C ATOM 1501 CG TRP A 89 8.337 -2.276 4.236 1.00 61.22 C ATOM 1502 CD1 TRP A 89 7.989 -2.119 5.550 1.00 61.01 C ATOM 1503 CD2 TRP A 89 7.208 -2.894 3.596 1.00 13.01 C ATOM 1504 NE1 TRP A 89 6.721 -2.598 5.757 1.00 45.34 N ATOM 1505 CE2 TRP A 89 6.224 -3.082 4.574 1.00 34.11 C ATOM 1506 CE3 TRP A 89 6.941 -3.302 2.285 1.00 52.41 C ATOM 1507 CZ2 TRP A 89 4.993 -3.666 4.283 1.00 52.42 C ATOM 1508 CZ3 TRP A 89 5.725 -3.880 1.999 1.00 2.52 C ATOM 1509 CH2 TRP A 89 4.763 -4.061 2.994 1.00 32.52 C ATOM 0 H TRP A 89 11.059 -3.397 5.120 1.00 62.51 H new ATOM 0 HA TRP A 89 9.814 -3.782 2.514 1.00 20.14 H new ATOM 0 HB2 TRP A 89 10.244 -1.327 4.279 1.00 24.05 H new ATOM 0 HB3 TRP A 89 9.442 -1.261 2.723 1.00 24.05 H new ATOM 0 HD1 TRP A 89 8.619 -1.683 6.311 1.00 61.01 H new ATOM 0 HE1 TRP A 89 6.226 -2.595 6.649 1.00 45.34 H new ATOM 0 HE3 TRP A 89 7.679 -3.165 1.508 1.00 52.41 H new ATOM 0 HZ2 TRP A 89 4.245 -3.802 5.050 1.00 52.42 H new ATOM 0 HZ3 TRP A 89 5.512 -4.198 0.989 1.00 2.52 H new ATOM 0 HH2 TRP A 89 3.819 -4.522 2.741 1.00 32.52 H new ATOM 1520 N ALA A 90 12.855 -2.718 2.731 1.00 21.54 N ATOM 1521 CA ALA A 90 14.085 -2.315 2.000 1.00 23.51 C ATOM 1522 C ALA A 90 14.288 -3.085 0.663 1.00 63.51 C ATOM 1523 O ALA A 90 14.909 -2.566 -0.271 1.00 51.30 O ATOM 1524 CB ALA A 90 15.302 -2.503 2.915 1.00 72.24 C ATOM 0 H ALA A 90 13.035 -3.023 3.688 1.00 21.54 H new ATOM 0 HA ALA A 90 13.971 -1.265 1.729 1.00 23.51 H new ATOM 0 HB1 ALA A 90 16.206 -2.209 2.383 1.00 72.24 H new ATOM 0 HB2 ALA A 90 15.187 -1.884 3.805 1.00 72.24 H new ATOM 0 HB3 ALA A 90 15.378 -3.550 3.208 1.00 72.24 H new ATOM 1530 N ASN A 91 13.760 -4.323 0.587 1.00 50.32 N ATOM 1531 CA ASN A 91 13.904 -5.204 -0.603 1.00 21.45 C ATOM 1532 C ASN A 91 12.538 -5.498 -1.292 1.00 75.24 C ATOM 1533 O ASN A 91 12.491 -6.226 -2.289 1.00 11.53 O ATOM 1534 CB ASN A 91 14.600 -6.522 -0.171 1.00 73.13 C ATOM 1535 CG ASN A 91 13.797 -7.304 0.874 1.00 21.23 C ATOM 1536 OD1 ASN A 91 13.030 -8.198 0.540 1.00 2.04 O ATOM 1537 ND2 ASN A 91 13.950 -6.957 2.142 1.00 61.42 N ATOM 0 H ASN A 91 13.222 -4.745 1.344 1.00 50.32 H new ATOM 0 HA ASN A 91 14.514 -4.686 -1.342 1.00 21.45 H new ATOM 0 HB2 ASN A 91 14.754 -7.150 -1.048 1.00 73.13 H new ATOM 0 HB3 ASN A 91 15.586 -6.291 0.233 1.00 73.13 H new ATOM 0 HD21 ASN A 91 13.422 -7.438 2.870 1.00 61.42 H new ATOM 0 HD22 ASN A 91 14.596 -6.208 2.391 1.00 61.42 H new ATOM 1544 N SER A 92 11.435 -4.925 -0.766 1.00 22.52 N ATOM 1545 CA SER A 92 10.062 -5.208 -1.269 1.00 70.13 C ATOM 1546 C SER A 92 9.774 -4.546 -2.638 1.00 4.33 C ATOM 1547 O SER A 92 10.034 -3.352 -2.832 1.00 12.41 O ATOM 1548 CB SER A 92 8.996 -4.744 -0.251 1.00 1.33 C ATOM 1549 OG SER A 92 9.106 -5.448 0.976 1.00 34.43 O ATOM 0 H SER A 92 11.462 -4.262 0.008 1.00 22.52 H new ATOM 0 HA SER A 92 10.008 -6.289 -1.401 1.00 70.13 H new ATOM 0 HB2 SER A 92 9.106 -3.675 -0.069 1.00 1.33 H new ATOM 0 HB3 SER A 92 8.001 -4.895 -0.670 1.00 1.33 H new ATOM 0 HG SER A 92 8.430 -5.118 1.604 1.00 34.43 H new ATOM 1555 N LYS A 93 9.223 -5.352 -3.568 1.00 31.12 N ATOM 1556 CA LYS A 93 8.704 -4.887 -4.881 1.00 50.40 C ATOM 1557 C LYS A 93 7.605 -3.814 -4.701 1.00 14.30 C ATOM 1558 O LYS A 93 7.595 -2.787 -5.387 1.00 14.23 O ATOM 1559 CB LYS A 93 8.123 -6.106 -5.656 1.00 12.23 C ATOM 1560 CG LYS A 93 9.151 -7.219 -5.973 1.00 52.41 C ATOM 1561 CD LYS A 93 10.175 -6.832 -7.083 1.00 30.10 C ATOM 1562 CE LYS A 93 9.669 -7.123 -8.514 1.00 53.15 C ATOM 1563 NZ LYS A 93 8.393 -6.448 -8.851 1.00 13.12 N ATOM 0 H LYS A 93 9.122 -6.358 -3.432 1.00 31.12 H new ATOM 0 HA LYS A 93 9.524 -4.438 -5.441 1.00 50.40 H new ATOM 0 HB2 LYS A 93 7.310 -6.537 -5.072 1.00 12.23 H new ATOM 0 HB3 LYS A 93 7.691 -5.752 -6.592 1.00 12.23 H new ATOM 0 HG2 LYS A 93 9.694 -7.469 -5.062 1.00 52.41 H new ATOM 0 HG3 LYS A 93 8.616 -8.117 -6.282 1.00 52.41 H new ATOM 0 HD2 LYS A 93 10.409 -5.771 -6.997 1.00 30.10 H new ATOM 0 HD3 LYS A 93 11.104 -7.378 -6.916 1.00 30.10 H new ATOM 0 HE2 LYS A 93 10.432 -6.813 -9.228 1.00 53.15 H new ATOM 0 HE3 LYS A 93 9.541 -8.199 -8.631 1.00 53.15 H new ATOM 0 HZ1 LYS A 93 8.221 -6.521 -9.874 1.00 13.12 H new ATOM 0 HZ2 LYS A 93 7.613 -6.903 -8.336 1.00 13.12 H new ATOM 0 HZ3 LYS A 93 8.448 -5.446 -8.580 1.00 13.12 H new ATOM 1577 N LEU A 94 6.702 -4.083 -3.745 1.00 11.51 N ATOM 1578 CA LEU A 94 5.557 -3.210 -3.418 1.00 74.14 C ATOM 1579 C LEU A 94 5.984 -1.770 -3.038 1.00 61.31 C ATOM 1580 O LEU A 94 5.388 -0.806 -3.513 1.00 65.43 O ATOM 1581 CB LEU A 94 4.774 -3.817 -2.241 1.00 3.43 C ATOM 1582 CG LEU A 94 3.460 -3.078 -1.850 1.00 42.34 C ATOM 1583 CD1 LEU A 94 2.358 -3.304 -2.901 1.00 15.34 C ATOM 1584 CD2 LEU A 94 3.003 -3.474 -0.442 1.00 45.03 C ATOM 0 H LEU A 94 6.745 -4.923 -3.168 1.00 11.51 H new ATOM 0 HA LEU A 94 4.941 -3.146 -4.315 1.00 74.14 H new ATOM 0 HB2 LEU A 94 4.529 -4.850 -2.486 1.00 3.43 H new ATOM 0 HB3 LEU A 94 5.427 -3.843 -1.369 1.00 3.43 H new ATOM 0 HG LEU A 94 3.667 -2.008 -1.832 1.00 42.34 H new ATOM 0 HD11 LEU A 94 1.454 -2.775 -2.599 1.00 15.34 H new ATOM 0 HD12 LEU A 94 2.694 -2.927 -3.867 1.00 15.34 H new ATOM 0 HD13 LEU A 94 2.145 -4.370 -2.982 1.00 15.34 H new ATOM 0 HD21 LEU A 94 2.084 -2.943 -0.195 1.00 45.03 H new ATOM 0 HD22 LEU A 94 2.822 -4.548 -0.407 1.00 45.03 H new ATOM 0 HD23 LEU A 94 3.778 -3.213 0.279 1.00 45.03 H new ATOM 1596 N LEU A 95 7.004 -1.650 -2.158 1.00 11.31 N ATOM 1597 CA LEU A 95 7.502 -0.336 -1.678 1.00 41.23 C ATOM 1598 C LEU A 95 8.008 0.547 -2.844 1.00 73.33 C ATOM 1599 O LEU A 95 7.792 1.756 -2.853 1.00 53.01 O ATOM 1600 CB LEU A 95 8.642 -0.507 -0.644 1.00 41.20 C ATOM 1601 CG LEU A 95 9.178 0.836 -0.036 1.00 42.03 C ATOM 1602 CD1 LEU A 95 8.143 1.483 0.907 1.00 74.54 C ATOM 1603 CD2 LEU A 95 10.546 0.659 0.641 1.00 22.33 C ATOM 0 H LEU A 95 7.501 -2.449 -1.764 1.00 11.31 H new ATOM 0 HA LEU A 95 6.655 0.158 -1.202 1.00 41.23 H new ATOM 0 HB2 LEU A 95 8.287 -1.142 0.168 1.00 41.20 H new ATOM 0 HB3 LEU A 95 9.471 -1.032 -1.120 1.00 41.20 H new ATOM 0 HG LEU A 95 9.331 1.526 -0.866 1.00 42.03 H new ATOM 0 HD11 LEU A 95 8.548 2.411 1.310 1.00 74.54 H new ATOM 0 HD12 LEU A 95 7.229 1.696 0.353 1.00 74.54 H new ATOM 0 HD13 LEU A 95 7.919 0.799 1.726 1.00 74.54 H new ATOM 0 HD21 LEU A 95 10.877 1.615 1.047 1.00 22.33 H new ATOM 0 HD22 LEU A 95 10.461 -0.069 1.448 1.00 22.33 H new ATOM 0 HD23 LEU A 95 11.271 0.305 -0.092 1.00 22.33 H new ATOM 1615 N LYS A 96 8.685 -0.087 -3.813 1.00 21.45 N ATOM 1616 CA LYS A 96 9.203 0.593 -5.023 1.00 33.43 C ATOM 1617 C LYS A 96 8.050 1.196 -5.860 1.00 32.13 C ATOM 1618 O LYS A 96 8.145 2.325 -6.345 1.00 55.25 O ATOM 1619 CB LYS A 96 10.030 -0.416 -5.859 1.00 43.44 C ATOM 1620 CG LYS A 96 11.238 -0.999 -5.093 1.00 2.25 C ATOM 1621 CD LYS A 96 11.994 -2.085 -5.887 1.00 52.25 C ATOM 1622 CE LYS A 96 13.268 -2.553 -5.159 1.00 64.01 C ATOM 1623 NZ LYS A 96 14.259 -1.449 -4.986 1.00 54.14 N ATOM 0 H LYS A 96 8.892 -1.085 -3.786 1.00 21.45 H new ATOM 0 HA LYS A 96 9.847 1.419 -4.721 1.00 33.43 H new ATOM 0 HB2 LYS A 96 9.381 -1.233 -6.176 1.00 43.44 H new ATOM 0 HB3 LYS A 96 10.386 0.078 -6.763 1.00 43.44 H new ATOM 0 HG2 LYS A 96 11.928 -0.192 -4.847 1.00 2.25 H new ATOM 0 HG3 LYS A 96 10.892 -1.422 -4.150 1.00 2.25 H new ATOM 0 HD2 LYS A 96 11.336 -2.938 -6.050 1.00 52.25 H new ATOM 0 HD3 LYS A 96 12.261 -1.696 -6.870 1.00 52.25 H new ATOM 0 HE2 LYS A 96 12.999 -2.954 -4.182 1.00 64.01 H new ATOM 0 HE3 LYS A 96 13.727 -3.366 -5.721 1.00 64.01 H new ATOM 0 HZ1 LYS A 96 15.180 -1.849 -4.714 1.00 54.14 H new ATOM 0 HZ2 LYS A 96 14.359 -0.929 -5.881 1.00 54.14 H new ATOM 0 HZ3 LYS A 96 13.930 -0.800 -4.243 1.00 54.14 H new ATOM 1637 N GLN A 97 6.956 0.425 -5.976 1.00 41.20 N ATOM 1638 CA GLN A 97 5.700 0.857 -6.637 1.00 55.22 C ATOM 1639 C GLN A 97 4.985 1.970 -5.819 1.00 44.01 C ATOM 1640 O GLN A 97 4.374 2.884 -6.385 1.00 23.53 O ATOM 1641 CB GLN A 97 4.765 -0.373 -6.798 1.00 13.22 C ATOM 1642 CG GLN A 97 5.368 -1.531 -7.621 1.00 41.04 C ATOM 1643 CD GLN A 97 4.488 -2.787 -7.668 1.00 70.10 C ATOM 1644 OE1 GLN A 97 3.261 -2.718 -7.619 1.00 14.14 O ATOM 1645 NE2 GLN A 97 5.115 -3.944 -7.766 1.00 3.21 N ATOM 0 H GLN A 97 6.912 -0.527 -5.612 1.00 41.20 H new ATOM 0 HA GLN A 97 5.942 1.271 -7.616 1.00 55.22 H new ATOM 0 HB2 GLN A 97 4.502 -0.746 -5.808 1.00 13.22 H new ATOM 0 HB3 GLN A 97 3.839 -0.050 -7.273 1.00 13.22 H new ATOM 0 HG2 GLN A 97 5.545 -1.186 -8.640 1.00 41.04 H new ATOM 0 HG3 GLN A 97 6.338 -1.795 -7.201 1.00 41.04 H new ATOM 0 HE21 GLN A 97 6.134 -3.970 -7.805 1.00 3.21 H new ATOM 0 HE22 GLN A 97 4.581 -4.812 -7.803 1.00 3.21 H new ATOM 1654 N LEU A 98 5.076 1.861 -4.479 1.00 30.52 N ATOM 1655 CA LEU A 98 4.439 2.802 -3.525 1.00 74.21 C ATOM 1656 C LEU A 98 5.097 4.200 -3.599 1.00 74.14 C ATOM 1657 O LEU A 98 4.415 5.218 -3.516 1.00 52.42 O ATOM 1658 CB LEU A 98 4.517 2.216 -2.084 1.00 52.42 C ATOM 1659 CG LEU A 98 3.792 3.018 -0.955 1.00 64.22 C ATOM 1660 CD1 LEU A 98 2.276 3.145 -1.230 1.00 5.24 C ATOM 1661 CD2 LEU A 98 4.068 2.394 0.434 1.00 62.21 C ATOM 0 H LEU A 98 5.597 1.113 -4.021 1.00 30.52 H new ATOM 0 HA LEU A 98 3.391 2.926 -3.797 1.00 74.21 H new ATOM 0 HB2 LEU A 98 4.102 1.208 -2.105 1.00 52.42 H new ATOM 0 HB3 LEU A 98 5.568 2.122 -1.812 1.00 52.42 H new ATOM 0 HG LEU A 98 4.202 4.028 -0.952 1.00 64.22 H new ATOM 0 HD11 LEU A 98 1.806 3.708 -0.424 1.00 5.24 H new ATOM 0 HD12 LEU A 98 2.120 3.665 -2.175 1.00 5.24 H new ATOM 0 HD13 LEU A 98 1.832 2.151 -1.285 1.00 5.24 H new ATOM 0 HD21 LEU A 98 3.552 2.971 1.201 1.00 62.21 H new ATOM 0 HD22 LEU A 98 3.707 1.366 0.449 1.00 62.21 H new ATOM 0 HD23 LEU A 98 5.140 2.405 0.631 1.00 62.21 H new ATOM 1673 N GLN A 99 6.433 4.214 -3.758 1.00 51.14 N ATOM 1674 CA GLN A 99 7.220 5.446 -4.008 1.00 1.42 C ATOM 1675 C GLN A 99 6.860 6.090 -5.372 1.00 70.52 C ATOM 1676 O GLN A 99 6.787 7.322 -5.483 1.00 70.30 O ATOM 1677 CB GLN A 99 8.739 5.130 -3.928 1.00 12.12 C ATOM 1678 CG GLN A 99 9.217 4.710 -2.517 1.00 22.32 C ATOM 1679 CD GLN A 99 10.713 4.382 -2.428 1.00 71.22 C ATOM 1680 OE1 GLN A 99 11.531 4.911 -3.175 1.00 71.42 O ATOM 1681 NE2 GLN A 99 11.085 3.525 -1.494 1.00 50.32 N ATOM 0 H GLN A 99 7.004 3.370 -3.717 1.00 51.14 H new ATOM 0 HA GLN A 99 6.968 6.172 -3.235 1.00 1.42 H new ATOM 0 HB2 GLN A 99 8.972 4.332 -4.633 1.00 12.12 H new ATOM 0 HB3 GLN A 99 9.300 6.009 -4.245 1.00 12.12 H new ATOM 0 HG2 GLN A 99 8.991 5.513 -1.816 1.00 22.32 H new ATOM 0 HG3 GLN A 99 8.646 3.838 -2.198 1.00 22.32 H new ATOM 0 HE21 GLN A 99 10.386 3.099 -0.886 1.00 50.32 H new ATOM 0 HE22 GLN A 99 12.071 3.290 -1.381 1.00 50.32 H new ATOM 1690 N GLU A 100 6.618 5.246 -6.398 1.00 20.42 N ATOM 1691 CA GLU A 100 6.187 5.714 -7.741 1.00 50.32 C ATOM 1692 C GLU A 100 4.825 6.427 -7.690 1.00 24.01 C ATOM 1693 O GLU A 100 4.621 7.430 -8.373 1.00 21.13 O ATOM 1694 CB GLU A 100 6.136 4.539 -8.754 1.00 4.43 C ATOM 1695 CG GLU A 100 7.501 3.894 -9.053 1.00 13.54 C ATOM 1696 CD GLU A 100 8.497 4.845 -9.740 1.00 43.44 C ATOM 1697 OE1 GLU A 100 9.200 5.610 -9.041 1.00 54.14 O ATOM 1698 OE2 GLU A 100 8.594 4.829 -10.986 1.00 5.35 O ATOM 0 H GLU A 100 6.713 4.233 -6.325 1.00 20.42 H new ATOM 0 HA GLU A 100 6.932 6.435 -8.078 1.00 50.32 H new ATOM 0 HB2 GLU A 100 5.463 3.773 -8.369 1.00 4.43 H new ATOM 0 HB3 GLU A 100 5.707 4.900 -9.688 1.00 4.43 H new ATOM 0 HG2 GLU A 100 7.937 3.538 -8.120 1.00 13.54 H new ATOM 0 HG3 GLU A 100 7.349 3.021 -9.687 1.00 13.54 H new ATOM 1705 N PHE A 101 3.894 5.899 -6.879 1.00 62.13 N ATOM 1706 CA PHE A 101 2.572 6.525 -6.706 1.00 12.32 C ATOM 1707 C PHE A 101 2.664 7.797 -5.837 1.00 11.30 C ATOM 1708 O PHE A 101 2.086 8.824 -6.178 1.00 61.41 O ATOM 1709 CB PHE A 101 1.548 5.542 -6.102 1.00 73.32 C ATOM 1710 CG PHE A 101 0.131 6.114 -6.096 1.00 62.33 C ATOM 1711 CD1 PHE A 101 -0.558 6.287 -7.294 1.00 53.32 C ATOM 1712 CD2 PHE A 101 -0.479 6.542 -4.922 1.00 14.32 C ATOM 1713 CE1 PHE A 101 -1.813 6.850 -7.314 1.00 70.30 C ATOM 1714 CE2 PHE A 101 -1.733 7.116 -4.947 1.00 71.52 C ATOM 1715 CZ PHE A 101 -2.398 7.274 -6.142 1.00 64.02 C ATOM 0 H PHE A 101 4.030 5.046 -6.336 1.00 62.13 H new ATOM 0 HA PHE A 101 2.224 6.807 -7.700 1.00 12.32 H new ATOM 0 HB2 PHE A 101 1.560 4.613 -6.671 1.00 73.32 H new ATOM 0 HB3 PHE A 101 1.842 5.295 -5.082 1.00 73.32 H new ATOM 0 HD1 PHE A 101 -0.100 5.975 -8.221 1.00 53.32 H new ATOM 0 HD2 PHE A 101 0.035 6.424 -3.980 1.00 14.32 H new ATOM 0 HE1 PHE A 101 -2.340 6.960 -8.250 1.00 70.30 H new ATOM 0 HE2 PHE A 101 -2.194 7.442 -4.027 1.00 71.52 H new ATOM 0 HZ PHE A 101 -3.377 7.730 -6.160 1.00 64.02 H new ATOM 1725 N SER A 102 3.399 7.686 -4.720 1.00 1.21 N ATOM 1726 CA SER A 102 3.552 8.764 -3.709 1.00 51.30 C ATOM 1727 C SER A 102 3.945 10.114 -4.327 1.00 12.20 C ATOM 1728 O SER A 102 3.266 11.123 -4.128 1.00 23.35 O ATOM 1729 CB SER A 102 4.627 8.352 -2.690 1.00 1.12 C ATOM 1730 OG SER A 102 4.858 9.355 -1.716 1.00 13.42 O ATOM 0 H SER A 102 3.913 6.838 -4.483 1.00 1.21 H new ATOM 0 HA SER A 102 2.581 8.894 -3.231 1.00 51.30 H new ATOM 0 HB2 SER A 102 4.320 7.431 -2.194 1.00 1.12 H new ATOM 0 HB3 SER A 102 5.558 8.137 -3.214 1.00 1.12 H new ATOM 0 HG SER A 102 5.589 9.937 -2.012 1.00 13.42 H new ATOM 1736 N GLU A 103 5.033 10.099 -5.098 1.00 33.11 N ATOM 1737 CA GLU A 103 5.619 11.316 -5.701 1.00 52.32 C ATOM 1738 C GLU A 103 4.816 11.788 -6.932 1.00 35.40 C ATOM 1739 O GLU A 103 4.853 12.965 -7.301 1.00 44.44 O ATOM 1740 CB GLU A 103 7.095 11.019 -6.066 1.00 44.32 C ATOM 1741 CG GLU A 103 7.910 10.393 -4.904 1.00 51.25 C ATOM 1742 CD GLU A 103 7.998 11.285 -3.651 1.00 30.51 C ATOM 1743 OE1 GLU A 103 8.920 12.122 -3.581 1.00 63.44 O ATOM 1744 OE2 GLU A 103 7.132 11.174 -2.746 1.00 40.20 O ATOM 0 H GLU A 103 5.540 9.245 -5.328 1.00 33.11 H new ATOM 0 HA GLU A 103 5.577 12.133 -4.980 1.00 52.32 H new ATOM 0 HB2 GLU A 103 7.120 10.343 -6.921 1.00 44.32 H new ATOM 0 HB3 GLU A 103 7.577 11.946 -6.378 1.00 44.32 H new ATOM 0 HG2 GLU A 103 7.458 9.440 -4.628 1.00 51.25 H new ATOM 0 HG3 GLU A 103 8.919 10.177 -5.256 1.00 51.25 H new ATOM 1751 N ASN A 104 4.078 10.848 -7.550 1.00 64.02 N ATOM 1752 CA ASN A 104 3.260 11.104 -8.765 1.00 51.23 C ATOM 1753 C ASN A 104 1.743 10.929 -8.480 1.00 64.21 C ATOM 1754 O ASN A 104 0.996 10.418 -9.330 1.00 44.02 O ATOM 1755 CB ASN A 104 3.730 10.155 -9.902 1.00 30.23 C ATOM 1756 CG ASN A 104 5.204 10.351 -10.269 1.00 24.41 C ATOM 1757 OD1 ASN A 104 5.543 11.126 -11.154 1.00 12.14 O ATOM 1758 ND2 ASN A 104 6.098 9.661 -9.581 1.00 20.22 N ATOM 0 H ASN A 104 4.027 9.883 -7.224 1.00 64.02 H new ATOM 0 HA ASN A 104 3.403 12.139 -9.076 1.00 51.23 H new ATOM 0 HB2 ASN A 104 3.571 9.121 -9.595 1.00 30.23 H new ATOM 0 HB3 ASN A 104 3.115 10.323 -10.786 1.00 30.23 H new ATOM 0 HD21 ASN A 104 7.092 9.769 -9.784 1.00 20.22 H new ATOM 0 HD22 ASN A 104 5.794 9.021 -8.848 1.00 20.22 H new