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 77 THR OG1 : rot -72:sc= 1.05 USER MOD Set 1.2: A 79 ASN : amide:sc= -0.0367 X(o=1,f=1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -134:sc= -0.486 (180deg=-1.89) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.0534 F(o=-0.79,f=-0.053) USER MOD Single : A 30 SER OG : rot -40:sc= 0.261 USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= -0.0697 (180deg=-0.355) USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.849 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 109:sc= 0.0295 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= 0.433 (180deg=0.304) USER MOD Single : A 53 MET CE :methyl 178:sc= 0 (180deg=-0.00972) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 61 TYR OH : rot 70:sc= -0.671 USER MOD Single : A 63 SER OG : rot 71:sc= 0.0351 USER MOD Single : A 66 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.082) USER MOD Single : A 73 TYR OH : rot 80:sc= 0.0049 USER MOD Single : A 74 TYR OH : rot 93:sc= 0.657 USER MOD Single : A 78 LYS NZ :NH3+ 149:sc= 0.71 (180deg=0.115) USER MOD Single : A 81 LYS NZ :NH3+ 152:sc=-0.00107 (180deg=-0.364) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 104:sc= 0.0903 USER MOD Single : A 88 LYS NZ :NH3+ -104:sc= 0.551 (180deg=-0.142) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 92 SER OG : rot 176:sc= 0.349 USER MOD Single : A 93 LYS NZ :NH3+ -106:sc= -1.1 (180deg=-3.49!) USER MOD Single : A 96 LYS NZ :NH3+ -109:sc= 0.883 (180deg=-0.404) USER MOD Single : A 97 GLN : amide:sc= 0.369 K(o=0.37,f=-2!) USER MOD Single : A 99 GLN : amide:sc= 0.183 K(o=0.18,f=-2.1!) USER MOD Single : A 102 SER OG : rot -82:sc= 0.222 USER MOD Single : A 104 ASN : amide:sc= 0.369 X(o=0.37,f=0) USER MOD ----------------------------------------------------------------- ATOM 322 N ASP A 20 -9.528 -12.403 -6.862 1.00 44.31 N ATOM 323 CA ASP A 20 -10.232 -11.169 -7.285 1.00 11.41 C ATOM 324 C ASP A 20 -11.009 -10.520 -6.099 1.00 41.05 C ATOM 325 O ASP A 20 -11.038 -9.290 -5.954 1.00 3.13 O ATOM 326 CB ASP A 20 -11.187 -11.496 -8.460 1.00 44.42 C ATOM 327 CG ASP A 20 -11.747 -10.235 -9.130 1.00 12.40 C ATOM 328 OD1 ASP A 20 -11.046 -9.653 -9.985 1.00 60.43 O ATOM 329 OD2 ASP A 20 -12.868 -9.807 -8.787 1.00 72.52 O ATOM 0 HA ASP A 20 -9.491 -10.442 -7.618 1.00 11.41 H new ATOM 0 HB2 ASP A 20 -10.655 -12.092 -9.202 1.00 44.42 H new ATOM 0 HB3 ASP A 20 -12.013 -12.106 -8.094 1.00 44.42 H new ATOM 334 N LYS A 21 -11.637 -11.372 -5.257 1.00 45.21 N ATOM 335 CA LYS A 21 -12.341 -10.918 -4.027 1.00 23.20 C ATOM 336 C LYS A 21 -11.344 -10.499 -2.921 1.00 72.50 C ATOM 337 O LYS A 21 -11.662 -9.644 -2.091 1.00 0.42 O ATOM 338 CB LYS A 21 -13.319 -12.003 -3.497 1.00 5.13 C ATOM 339 CG LYS A 21 -14.592 -12.189 -4.355 1.00 30.00 C ATOM 340 CD LYS A 21 -15.631 -13.127 -3.686 1.00 24.31 C ATOM 341 CE LYS A 21 -16.948 -13.218 -4.477 1.00 43.12 C ATOM 342 NZ LYS A 21 -17.936 -14.101 -3.810 1.00 61.04 N ATOM 0 H LYS A 21 -11.673 -12.381 -5.404 1.00 45.21 H new ATOM 0 HA LYS A 21 -12.926 -10.040 -4.302 1.00 23.20 H new ATOM 0 HB2 LYS A 21 -12.791 -12.955 -3.441 1.00 5.13 H new ATOM 0 HB3 LYS A 21 -13.615 -11.743 -2.481 1.00 5.13 H new ATOM 0 HG2 LYS A 21 -15.049 -11.216 -4.535 1.00 30.00 H new ATOM 0 HG3 LYS A 21 -14.314 -12.596 -5.327 1.00 30.00 H new ATOM 0 HD2 LYS A 21 -15.202 -14.124 -3.587 1.00 24.31 H new ATOM 0 HD3 LYS A 21 -15.842 -12.769 -2.678 1.00 24.31 H new ATOM 0 HE2 LYS A 21 -17.372 -12.220 -4.591 1.00 43.12 H new ATOM 0 HE3 LYS A 21 -16.744 -13.594 -5.479 1.00 43.12 H new ATOM 0 HZ1 LYS A 21 -18.808 -14.135 -4.375 1.00 61.04 H new ATOM 0 HZ2 LYS A 21 -17.542 -15.060 -3.724 1.00 61.04 H new ATOM 0 HZ3 LYS A 21 -18.151 -13.728 -2.863 1.00 61.04 H new ATOM 356 N LYS A 22 -10.146 -11.111 -2.913 1.00 31.42 N ATOM 357 CA LYS A 22 -9.019 -10.657 -2.065 1.00 61.24 C ATOM 358 C LYS A 22 -8.593 -9.230 -2.451 1.00 5.30 C ATOM 359 O LYS A 22 -8.396 -8.378 -1.588 1.00 34.13 O ATOM 360 CB LYS A 22 -7.808 -11.625 -2.185 1.00 21.04 C ATOM 361 CG LYS A 22 -6.464 -11.014 -1.712 1.00 11.24 C ATOM 362 CD LYS A 22 -5.343 -12.045 -1.560 1.00 11.43 C ATOM 363 CE LYS A 22 -3.987 -11.388 -1.267 1.00 43.15 C ATOM 364 NZ LYS A 22 -3.016 -12.361 -0.729 1.00 3.40 N ATOM 0 H LYS A 22 -9.929 -11.926 -3.486 1.00 31.42 H new ATOM 0 HA LYS A 22 -9.358 -10.655 -1.029 1.00 61.24 H new ATOM 0 HB2 LYS A 22 -8.013 -12.522 -1.601 1.00 21.04 H new ATOM 0 HB3 LYS A 22 -7.707 -11.938 -3.224 1.00 21.04 H new ATOM 0 HG2 LYS A 22 -6.151 -10.251 -2.424 1.00 11.24 H new ATOM 0 HG3 LYS A 22 -6.618 -10.513 -0.756 1.00 11.24 H new ATOM 0 HD2 LYS A 22 -5.593 -12.734 -0.753 1.00 11.43 H new ATOM 0 HD3 LYS A 22 -5.269 -12.636 -2.473 1.00 11.43 H new ATOM 0 HE2 LYS A 22 -3.591 -10.946 -2.181 1.00 43.15 H new ATOM 0 HE3 LYS A 22 -4.122 -10.576 -0.553 1.00 43.15 H new ATOM 0 HZ1 LYS A 22 -2.532 -11.949 0.094 1.00 3.40 H new ATOM 0 HZ2 LYS A 22 -3.515 -13.226 -0.440 1.00 3.40 H new ATOM 0 HZ3 LYS A 22 -2.316 -12.594 -1.462 1.00 3.40 H new ATOM 378 N ARG A 23 -8.449 -9.008 -3.768 1.00 31.01 N ATOM 379 CA ARG A 23 -8.107 -7.697 -4.353 1.00 52.01 C ATOM 380 C ARG A 23 -9.131 -6.616 -3.919 1.00 71.02 C ATOM 381 O ARG A 23 -8.757 -5.487 -3.609 1.00 63.51 O ATOM 382 CB ARG A 23 -8.056 -7.844 -5.898 1.00 63.33 C ATOM 383 CG ARG A 23 -7.624 -6.584 -6.673 1.00 12.14 C ATOM 384 CD ARG A 23 -7.613 -6.804 -8.200 1.00 73.23 C ATOM 385 NE ARG A 23 -8.951 -7.134 -8.742 1.00 30.13 N ATOM 386 CZ ARG A 23 -9.692 -6.336 -9.487 1.00 42.15 C ATOM 387 NH1 ARG A 23 -9.310 -5.128 -9.771 1.00 41.31 N ATOM 388 NH2 ARG A 23 -10.825 -6.753 -9.931 1.00 73.02 N ATOM 0 H ARG A 23 -8.568 -9.742 -4.466 1.00 31.01 H new ATOM 0 HA ARG A 23 -7.131 -7.372 -3.991 1.00 52.01 H new ATOM 0 HB2 ARG A 23 -7.370 -8.654 -6.145 1.00 63.33 H new ATOM 0 HB3 ARG A 23 -9.043 -8.144 -6.249 1.00 63.33 H new ATOM 0 HG2 ARG A 23 -8.300 -5.764 -6.432 1.00 12.14 H new ATOM 0 HG3 ARG A 23 -6.629 -6.283 -6.345 1.00 12.14 H new ATOM 0 HD2 ARG A 23 -7.240 -5.904 -8.689 1.00 73.23 H new ATOM 0 HD3 ARG A 23 -6.919 -7.609 -8.441 1.00 73.23 H new ATOM 0 HE ARG A 23 -9.331 -8.054 -8.521 1.00 30.13 H new ATOM 0 HH11 ARG A 23 -8.420 -4.778 -9.416 1.00 41.31 H new ATOM 0 HH12 ARG A 23 -9.900 -4.529 -10.349 1.00 41.31 H new ATOM 0 HH21 ARG A 23 -11.145 -7.695 -9.707 1.00 73.02 H new ATOM 0 HH22 ARG A 23 -11.403 -6.142 -10.507 1.00 73.02 H new ATOM 402 N ALA A 24 -10.423 -7.006 -3.873 1.00 14.24 N ATOM 403 CA ALA A 24 -11.521 -6.148 -3.352 1.00 23.14 C ATOM 404 C ALA A 24 -11.348 -5.844 -1.838 1.00 61.32 C ATOM 405 O ALA A 24 -11.530 -4.706 -1.403 1.00 44.43 O ATOM 406 CB ALA A 24 -12.881 -6.816 -3.615 1.00 14.31 C ATOM 0 H ALA A 24 -10.739 -7.921 -4.194 1.00 14.24 H new ATOM 0 HA ALA A 24 -11.480 -5.196 -3.881 1.00 23.14 H new ATOM 0 HB1 ALA A 24 -13.679 -6.181 -3.230 1.00 14.31 H new ATOM 0 HB2 ALA A 24 -13.015 -6.958 -4.687 1.00 14.31 H new ATOM 0 HB3 ALA A 24 -12.914 -7.784 -3.114 1.00 14.31 H new ATOM 412 N ARG A 25 -10.997 -6.887 -1.058 1.00 52.14 N ATOM 413 CA ARG A 25 -10.733 -6.781 0.400 1.00 15.21 C ATOM 414 C ARG A 25 -9.508 -5.870 0.713 1.00 53.43 C ATOM 415 O ARG A 25 -9.487 -5.172 1.734 1.00 42.23 O ATOM 416 CB ARG A 25 -10.528 -8.208 0.994 1.00 71.54 C ATOM 417 CG ARG A 25 -10.179 -8.245 2.503 1.00 62.40 C ATOM 418 CD ARG A 25 -9.986 -9.676 3.052 1.00 1.22 C ATOM 419 NE ARG A 25 -8.977 -10.444 2.289 1.00 72.53 N ATOM 420 CZ ARG A 25 -7.669 -10.390 2.451 1.00 4.12 C ATOM 421 NH1 ARG A 25 -7.122 -9.587 3.311 1.00 34.30 N ATOM 422 NH2 ARG A 25 -6.918 -11.155 1.735 1.00 3.50 N ATOM 0 H ARG A 25 -10.887 -7.834 -1.420 1.00 52.14 H new ATOM 0 HA ARG A 25 -11.598 -6.311 0.867 1.00 15.21 H new ATOM 0 HB2 ARG A 25 -11.438 -8.787 0.833 1.00 71.54 H new ATOM 0 HB3 ARG A 25 -9.732 -8.705 0.440 1.00 71.54 H new ATOM 0 HG2 ARG A 25 -9.267 -7.673 2.672 1.00 62.40 H new ATOM 0 HG3 ARG A 25 -10.973 -7.752 3.064 1.00 62.40 H new ATOM 0 HD2 ARG A 25 -9.683 -9.623 4.098 1.00 1.22 H new ATOM 0 HD3 ARG A 25 -10.939 -10.205 3.023 1.00 1.22 H new ATOM 0 HE ARG A 25 -9.327 -11.076 1.569 1.00 72.53 H new ATOM 0 HH11 ARG A 25 -7.706 -8.977 3.883 1.00 34.30 H new ATOM 0 HH12 ARG A 25 -6.108 -9.566 3.416 1.00 34.30 H new ATOM 0 HH21 ARG A 25 -7.337 -11.790 1.055 1.00 3.50 H new ATOM 0 HH22 ARG A 25 -5.905 -11.125 1.848 1.00 3.50 H new ATOM 436 N LEU A 26 -8.495 -5.881 -0.177 1.00 71.51 N ATOM 437 CA LEU A 26 -7.276 -5.059 -0.011 1.00 71.11 C ATOM 438 C LEU A 26 -7.560 -3.566 -0.328 1.00 21.45 C ATOM 439 O LEU A 26 -7.196 -2.693 0.459 1.00 43.25 O ATOM 440 CB LEU A 26 -6.123 -5.584 -0.900 1.00 14.15 C ATOM 441 CG LEU A 26 -5.627 -7.043 -0.633 1.00 52.41 C ATOM 442 CD1 LEU A 26 -4.539 -7.449 -1.651 1.00 24.22 C ATOM 443 CD2 LEU A 26 -5.138 -7.191 0.826 1.00 31.42 C ATOM 0 H LEU A 26 -8.496 -6.452 -1.022 1.00 71.51 H new ATOM 0 HA LEU A 26 -6.969 -5.137 1.032 1.00 71.11 H new ATOM 0 HB2 LEU A 26 -6.442 -5.520 -1.940 1.00 14.15 H new ATOM 0 HB3 LEU A 26 -5.273 -4.911 -0.785 1.00 14.15 H new ATOM 0 HG LEU A 26 -6.465 -7.727 -0.769 1.00 52.41 H new ATOM 0 HD11 LEU A 26 -4.210 -8.467 -1.445 1.00 24.22 H new ATOM 0 HD12 LEU A 26 -4.947 -7.397 -2.660 1.00 24.22 H new ATOM 0 HD13 LEU A 26 -3.691 -6.770 -1.567 1.00 24.22 H new ATOM 0 HD21 LEU A 26 -4.797 -8.213 0.993 1.00 31.42 H new ATOM 0 HD22 LEU A 26 -4.315 -6.499 1.006 1.00 31.42 H new ATOM 0 HD23 LEU A 26 -5.957 -6.966 1.509 1.00 31.42 H new ATOM 455 N ILE A 27 -8.212 -3.294 -1.488 1.00 70.10 N ATOM 456 CA ILE A 27 -8.673 -1.923 -1.870 1.00 41.32 C ATOM 457 C ILE A 27 -9.633 -1.329 -0.793 1.00 54.34 C ATOM 458 O ILE A 27 -9.638 -0.119 -0.540 1.00 43.12 O ATOM 459 CB ILE A 27 -9.380 -1.916 -3.292 1.00 43.02 C ATOM 460 CG1 ILE A 27 -8.402 -2.422 -4.399 1.00 63.31 C ATOM 461 CG2 ILE A 27 -9.928 -0.505 -3.660 1.00 24.22 C ATOM 462 CD1 ILE A 27 -8.997 -2.551 -5.796 1.00 30.50 C ATOM 0 H ILE A 27 -8.434 -4.008 -2.182 1.00 70.10 H new ATOM 0 HA ILE A 27 -7.784 -1.295 -1.929 1.00 41.32 H new ATOM 0 HB ILE A 27 -10.229 -2.597 -3.233 1.00 43.02 H new ATOM 0 HG12 ILE A 27 -7.553 -1.741 -4.447 1.00 63.31 H new ATOM 0 HG13 ILE A 27 -8.013 -3.395 -4.098 1.00 63.31 H new ATOM 0 HG21 ILE A 27 -10.404 -0.544 -4.640 1.00 24.22 H new ATOM 0 HG22 ILE A 27 -10.659 -0.192 -2.914 1.00 24.22 H new ATOM 0 HG23 ILE A 27 -9.105 0.210 -3.684 1.00 24.22 H new ATOM 0 HD11 ILE A 27 -8.233 -2.909 -6.485 1.00 30.50 H new ATOM 0 HD12 ILE A 27 -9.826 -3.258 -5.774 1.00 30.50 H new ATOM 0 HD13 ILE A 27 -9.358 -1.578 -6.129 1.00 30.50 H new ATOM 474 N TYR A 28 -10.420 -2.209 -0.153 1.00 21.20 N ATOM 475 CA TYR A 28 -11.316 -1.846 0.967 1.00 32.10 C ATOM 476 C TYR A 28 -10.511 -1.329 2.198 1.00 15.13 C ATOM 477 O TYR A 28 -10.808 -0.260 2.741 1.00 43.53 O ATOM 478 CB TYR A 28 -12.183 -3.077 1.346 1.00 63.25 C ATOM 479 CG TYR A 28 -13.123 -2.870 2.540 1.00 30.23 C ATOM 480 CD1 TYR A 28 -14.196 -1.974 2.464 1.00 20.21 C ATOM 481 CD2 TYR A 28 -12.934 -3.562 3.742 1.00 61.40 C ATOM 482 CE1 TYR A 28 -15.038 -1.779 3.541 1.00 22.11 C ATOM 483 CE2 TYR A 28 -13.775 -3.367 4.818 1.00 24.45 C ATOM 484 CZ TYR A 28 -14.825 -2.478 4.715 1.00 15.44 C ATOM 485 OH TYR A 28 -15.664 -2.277 5.793 1.00 14.32 O ATOM 0 H TYR A 28 -10.456 -3.199 -0.396 1.00 21.20 H new ATOM 0 HA TYR A 28 -11.966 -1.031 0.648 1.00 32.10 H new ATOM 0 HB2 TYR A 28 -12.780 -3.362 0.479 1.00 63.25 H new ATOM 0 HB3 TYR A 28 -11.521 -3.914 1.566 1.00 63.25 H new ATOM 0 HD1 TYR A 28 -14.368 -1.427 1.549 1.00 20.21 H new ATOM 0 HD2 TYR A 28 -12.115 -4.261 3.829 1.00 61.40 H new ATOM 0 HE1 TYR A 28 -15.860 -1.083 3.467 1.00 22.11 H new ATOM 0 HE2 TYR A 28 -13.612 -3.909 5.738 1.00 24.45 H new ATOM 0 HH TYR A 28 -15.379 -2.845 6.539 1.00 14.32 H new ATOM 495 N GLN A 29 -9.485 -2.100 2.607 1.00 71.34 N ATOM 496 CA GLN A 29 -8.639 -1.778 3.789 1.00 20.34 C ATOM 497 C GLN A 29 -7.529 -0.741 3.465 1.00 53.12 C ATOM 498 O GLN A 29 -6.834 -0.272 4.371 1.00 54.33 O ATOM 499 CB GLN A 29 -8.004 -3.077 4.348 1.00 34.10 C ATOM 500 CG GLN A 29 -9.019 -4.141 4.803 1.00 41.43 C ATOM 501 CD GLN A 29 -8.349 -5.419 5.310 1.00 30.30 C ATOM 502 OE1 GLN A 29 -8.068 -6.349 4.417 1.00 61.41 O flip ATOM 503 NE2 GLN A 29 -8.062 -5.560 6.493 1.00 55.21 N flip ATOM 0 H GLN A 29 -9.214 -2.962 2.134 1.00 71.34 H new ATOM 0 HA GLN A 29 -9.289 -1.326 4.539 1.00 20.34 H new ATOM 0 HB2 GLN A 29 -7.361 -3.511 3.582 1.00 34.10 H new ATOM 0 HB3 GLN A 29 -7.364 -2.819 5.192 1.00 34.10 H new ATOM 0 HG2 GLN A 29 -9.644 -3.726 5.593 1.00 41.43 H new ATOM 0 HG3 GLN A 29 -9.678 -4.387 3.971 1.00 41.43 H new ATOM 0 HE21 GLN A 29 -8.290 -4.826 7.164 1.00 55.21 H new ATOM 0 HE22 GLN A 29 -7.595 -6.411 6.807 1.00 55.21 H new ATOM 512 N SER A 30 -7.352 -0.414 2.171 1.00 64.23 N ATOM 513 CA SER A 30 -6.382 0.613 1.723 1.00 72.31 C ATOM 514 C SER A 30 -6.996 2.015 1.809 1.00 64.23 C ATOM 515 O SER A 30 -6.362 2.959 2.295 1.00 74.25 O ATOM 516 CB SER A 30 -5.933 0.345 0.276 1.00 31.34 C ATOM 517 OG SER A 30 -6.960 0.601 -0.665 1.00 34.11 O ATOM 0 H SER A 30 -7.872 -0.849 1.408 1.00 64.23 H new ATOM 0 HA SER A 30 -5.516 0.559 2.383 1.00 72.31 H new ATOM 0 HB2 SER A 30 -5.069 0.968 0.045 1.00 31.34 H new ATOM 0 HB3 SER A 30 -5.611 -0.692 0.185 1.00 31.34 H new ATOM 0 HG SER A 30 -7.815 0.276 -0.313 1.00 34.11 H new ATOM 523 N ARG A 31 -8.247 2.134 1.311 1.00 25.22 N ATOM 524 CA ARG A 31 -9.020 3.388 1.391 1.00 11.12 C ATOM 525 C ARG A 31 -9.654 3.577 2.788 1.00 54.41 C ATOM 526 O ARG A 31 -10.430 4.507 2.985 1.00 2.33 O ATOM 527 CB ARG A 31 -10.119 3.446 0.297 1.00 15.12 C ATOM 528 CG ARG A 31 -11.314 2.472 0.484 1.00 12.21 C ATOM 529 CD ARG A 31 -12.516 2.884 -0.379 1.00 43.41 C ATOM 530 NE ARG A 31 -12.970 4.248 -0.038 1.00 0.34 N ATOM 531 CZ ARG A 31 -13.879 4.946 -0.680 1.00 44.44 C ATOM 532 NH1 ARG A 31 -14.511 4.458 -1.697 1.00 22.05 N ATOM 533 NH2 ARG A 31 -14.146 6.147 -0.286 1.00 32.11 N ATOM 0 H ARG A 31 -8.742 1.372 0.848 1.00 25.22 H new ATOM 0 HA ARG A 31 -8.318 4.204 1.220 1.00 11.12 H new ATOM 0 HB2 ARG A 31 -10.508 4.463 0.254 1.00 15.12 H new ATOM 0 HB3 ARG A 31 -9.655 3.240 -0.668 1.00 15.12 H new ATOM 0 HG2 ARG A 31 -11.005 1.460 0.220 1.00 12.21 H new ATOM 0 HG3 ARG A 31 -11.608 2.452 1.533 1.00 12.21 H new ATOM 0 HD2 ARG A 31 -12.243 2.841 -1.433 1.00 43.41 H new ATOM 0 HD3 ARG A 31 -13.333 2.178 -0.232 1.00 43.41 H new ATOM 0 HE ARG A 31 -12.536 4.690 0.773 1.00 0.34 H new ATOM 0 HH11 ARG A 31 -14.308 3.511 -2.017 1.00 22.05 H new ATOM 0 HH12 ARG A 31 -15.213 5.020 -2.179 1.00 22.05 H new ATOM 0 HH21 ARG A 31 -13.653 6.542 0.515 1.00 32.11 H new ATOM 0 HH22 ARG A 31 -14.850 6.700 -0.776 1.00 32.11 H new ATOM 547 N LYS A 32 -9.381 2.647 3.728 1.00 33.45 N ATOM 548 CA LYS A 32 -9.622 2.866 5.166 1.00 54.11 C ATOM 549 C LYS A 32 -8.274 2.869 5.919 1.00 21.04 C ATOM 550 O LYS A 32 -7.624 1.830 6.050 1.00 25.53 O ATOM 551 CB LYS A 32 -10.565 1.777 5.746 1.00 73.15 C ATOM 552 CG LYS A 32 -12.001 1.809 5.172 1.00 11.23 C ATOM 553 CD LYS A 32 -12.990 0.967 6.002 1.00 3.02 C ATOM 554 CE LYS A 32 -14.449 1.162 5.553 1.00 41.24 C ATOM 555 NZ LYS A 32 -14.883 2.582 5.648 1.00 64.12 N ATOM 0 H LYS A 32 -8.990 1.730 3.511 1.00 33.45 H new ATOM 0 HA LYS A 32 -10.111 3.832 5.296 1.00 54.11 H new ATOM 0 HB2 LYS A 32 -10.131 0.796 5.553 1.00 73.15 H new ATOM 0 HB3 LYS A 32 -10.616 1.896 6.828 1.00 73.15 H new ATOM 0 HG2 LYS A 32 -12.350 2.841 5.134 1.00 11.23 H new ATOM 0 HG3 LYS A 32 -11.987 1.440 4.147 1.00 11.23 H new ATOM 0 HD2 LYS A 32 -12.725 -0.087 5.918 1.00 3.02 H new ATOM 0 HD3 LYS A 32 -12.898 1.236 7.054 1.00 3.02 H new ATOM 0 HE2 LYS A 32 -14.559 0.818 4.524 1.00 41.24 H new ATOM 0 HE3 LYS A 32 -15.102 0.543 6.168 1.00 41.24 H new ATOM 0 HZ1 LYS A 32 -15.920 2.633 5.585 1.00 64.12 H new ATOM 0 HZ2 LYS A 32 -14.571 2.980 6.557 1.00 64.12 H new ATOM 0 HZ3 LYS A 32 -14.462 3.127 4.869 1.00 64.12 H new ATOM 569 N ARG A 33 -7.890 4.040 6.443 1.00 64.41 N ATOM 570 CA ARG A 33 -6.657 4.248 7.240 1.00 14.20 C ATOM 571 C ARG A 33 -6.972 5.146 8.464 1.00 65.52 C ATOM 572 O ARG A 33 -8.037 5.782 8.526 1.00 54.51 O ATOM 573 CB ARG A 33 -5.538 4.917 6.373 1.00 71.41 C ATOM 574 CG ARG A 33 -4.958 4.074 5.197 1.00 23.42 C ATOM 575 CD ARG A 33 -4.042 2.900 5.638 1.00 43.54 C ATOM 576 NE ARG A 33 -4.776 1.653 5.920 1.00 24.52 N ATOM 577 CZ ARG A 33 -4.315 0.630 6.607 1.00 23.12 C ATOM 578 NH1 ARG A 33 -3.189 0.695 7.258 1.00 64.42 N ATOM 579 NH2 ARG A 33 -5.010 -0.457 6.667 1.00 72.23 N ATOM 0 H ARG A 33 -8.435 4.894 6.326 1.00 64.41 H new ATOM 0 HA ARG A 33 -6.298 3.276 7.579 1.00 14.20 H new ATOM 0 HB2 ARG A 33 -5.937 5.844 5.961 1.00 71.41 H new ATOM 0 HB3 ARG A 33 -4.715 5.190 7.033 1.00 71.41 H new ATOM 0 HG2 ARG A 33 -5.785 3.673 4.611 1.00 23.42 H new ATOM 0 HG3 ARG A 33 -4.392 4.733 4.539 1.00 23.42 H new ATOM 0 HD2 ARG A 33 -3.307 2.710 4.856 1.00 43.54 H new ATOM 0 HD3 ARG A 33 -3.490 3.196 6.530 1.00 43.54 H new ATOM 0 HE ARG A 33 -5.724 1.577 5.550 1.00 24.52 H new ATOM 0 HH11 ARG A 33 -2.640 1.555 7.243 1.00 64.42 H new ATOM 0 HH12 ARG A 33 -2.856 -0.114 7.782 1.00 64.42 H new ATOM 0 HH21 ARG A 33 -5.907 -0.516 6.185 1.00 72.23 H new ATOM 0 HH22 ARG A 33 -4.662 -1.256 7.197 1.00 72.23 H new ATOM 593 N GLY A 34 -6.036 5.192 9.429 1.00 61.12 N ATOM 594 CA GLY A 34 -6.151 6.068 10.608 1.00 24.45 C ATOM 595 C GLY A 34 -6.084 7.566 10.264 1.00 15.24 C ATOM 596 O GLY A 34 -6.828 8.372 10.836 1.00 31.01 O ATOM 0 H GLY A 34 -5.186 4.628 9.414 1.00 61.12 H new ATOM 0 HA2 GLY A 34 -7.093 5.861 11.115 1.00 24.45 H new ATOM 0 HA3 GLY A 34 -5.352 5.828 11.310 1.00 24.45 H new ATOM 600 N ILE A 35 -5.188 7.940 9.322 1.00 72.13 N ATOM 601 CA ILE A 35 -5.092 9.335 8.808 1.00 23.02 C ATOM 602 C ILE A 35 -5.616 9.424 7.357 1.00 70.31 C ATOM 603 O ILE A 35 -5.496 8.466 6.584 1.00 2.32 O ATOM 604 CB ILE A 35 -3.625 9.906 8.870 1.00 62.23 C ATOM 605 CG1 ILE A 35 -2.669 9.195 7.859 1.00 2.14 C ATOM 606 CG2 ILE A 35 -3.072 9.812 10.308 1.00 23.31 C ATOM 607 CD1 ILE A 35 -1.303 9.835 7.720 1.00 32.24 C ATOM 0 H ILE A 35 -4.518 7.298 8.899 1.00 72.13 H new ATOM 0 HA ILE A 35 -5.715 9.945 9.463 1.00 23.02 H new ATOM 0 HB ILE A 35 -3.671 10.955 8.577 1.00 62.23 H new ATOM 0 HG12 ILE A 35 -2.539 8.159 8.170 1.00 2.14 H new ATOM 0 HG13 ILE A 35 -3.147 9.176 6.880 1.00 2.14 H new ATOM 0 HG21 ILE A 35 -2.058 10.210 10.335 1.00 23.31 H new ATOM 0 HG22 ILE A 35 -3.706 10.390 10.980 1.00 23.31 H new ATOM 0 HG23 ILE A 35 -3.061 8.770 10.626 1.00 23.31 H new ATOM 0 HD11 ILE A 35 -0.710 9.274 6.998 1.00 32.24 H new ATOM 0 HD12 ILE A 35 -1.416 10.863 7.376 1.00 32.24 H new ATOM 0 HD13 ILE A 35 -0.799 9.830 8.686 1.00 32.24 H new ATOM 619 N LEU A 36 -6.179 10.594 7.001 1.00 12.23 N ATOM 620 CA LEU A 36 -6.772 10.852 5.667 1.00 71.30 C ATOM 621 C LEU A 36 -5.700 11.034 4.556 1.00 24.34 C ATOM 622 O LEU A 36 -6.006 10.843 3.371 1.00 13.00 O ATOM 623 CB LEU A 36 -7.750 12.067 5.715 1.00 23.45 C ATOM 624 CG LEU A 36 -9.053 11.894 6.580 1.00 25.14 C ATOM 625 CD1 LEU A 36 -9.803 10.597 6.217 1.00 4.11 C ATOM 626 CD2 LEU A 36 -8.768 11.981 8.098 1.00 21.44 C ATOM 0 H LEU A 36 -6.238 11.394 7.631 1.00 12.23 H new ATOM 0 HA LEU A 36 -7.343 9.962 5.401 1.00 71.30 H new ATOM 0 HB2 LEU A 36 -7.202 12.930 6.094 1.00 23.45 H new ATOM 0 HB3 LEU A 36 -8.049 12.303 4.694 1.00 23.45 H new ATOM 0 HG LEU A 36 -9.706 12.732 6.337 1.00 25.14 H new ATOM 0 HD11 LEU A 36 -10.698 10.509 6.833 1.00 4.11 H new ATOM 0 HD12 LEU A 36 -10.088 10.624 5.165 1.00 4.11 H new ATOM 0 HD13 LEU A 36 -9.154 9.739 6.395 1.00 4.11 H new ATOM 0 HD21 LEU A 36 -9.699 11.856 8.651 1.00 21.44 H new ATOM 0 HD22 LEU A 36 -8.068 11.195 8.382 1.00 21.44 H new ATOM 0 HD23 LEU A 36 -8.336 12.954 8.332 1.00 21.44 H new ATOM 638 N GLU A 37 -4.453 11.396 4.935 1.00 3.43 N ATOM 639 CA GLU A 37 -3.336 11.544 3.963 1.00 42.11 C ATOM 640 C GLU A 37 -2.957 10.183 3.322 1.00 15.14 C ATOM 641 O GLU A 37 -2.913 10.050 2.094 1.00 53.22 O ATOM 642 CB GLU A 37 -2.098 12.201 4.632 1.00 21.55 C ATOM 643 CG GLU A 37 -2.308 13.671 5.046 1.00 43.43 C ATOM 644 CD GLU A 37 -1.029 14.338 5.580 1.00 74.33 C ATOM 645 OE1 GLU A 37 -0.176 14.751 4.759 1.00 75.13 O ATOM 646 OE2 GLU A 37 -0.867 14.446 6.818 1.00 13.24 O ATOM 0 H GLU A 37 -4.192 11.591 5.901 1.00 3.43 H new ATOM 0 HA GLU A 37 -3.682 12.202 3.166 1.00 42.11 H new ATOM 0 HB2 GLU A 37 -1.826 11.622 5.515 1.00 21.55 H new ATOM 0 HB3 GLU A 37 -1.255 12.146 3.943 1.00 21.55 H new ATOM 0 HG2 GLU A 37 -2.673 14.235 4.188 1.00 43.43 H new ATOM 0 HG3 GLU A 37 -3.082 13.719 5.812 1.00 43.43 H new ATOM 653 N THR A 38 -2.707 9.177 4.178 1.00 2.14 N ATOM 654 CA THR A 38 -2.393 7.792 3.740 1.00 21.21 C ATOM 655 C THR A 38 -3.649 7.075 3.193 1.00 52.21 C ATOM 656 O THR A 38 -3.544 6.188 2.345 1.00 62.14 O ATOM 657 CB THR A 38 -1.757 6.957 4.896 1.00 33.15 C ATOM 658 OG1 THR A 38 -0.646 7.685 5.431 1.00 10.32 O ATOM 659 CG2 THR A 38 -1.270 5.568 4.433 1.00 43.32 C ATOM 0 H THR A 38 -2.715 9.293 5.191 1.00 2.14 H new ATOM 0 HA THR A 38 -1.664 7.871 2.934 1.00 21.21 H new ATOM 0 HB THR A 38 -2.529 6.796 5.648 1.00 33.15 H new ATOM 0 HG1 THR A 38 -0.057 7.072 5.918 1.00 10.32 H new ATOM 0 HG21 THR A 38 -0.838 5.034 5.279 1.00 43.32 H new ATOM 0 HG22 THR A 38 -2.112 5.000 4.037 1.00 43.32 H new ATOM 0 HG23 THR A 38 -0.516 5.688 3.655 1.00 43.32 H new ATOM 667 N ASP A 39 -4.830 7.460 3.718 1.00 15.43 N ATOM 668 CA ASP A 39 -6.148 6.954 3.253 1.00 13.30 C ATOM 669 C ASP A 39 -6.318 7.159 1.727 1.00 43.31 C ATOM 670 O ASP A 39 -6.553 6.202 0.989 1.00 74.33 O ATOM 671 CB ASP A 39 -7.266 7.687 4.036 1.00 32.41 C ATOM 672 CG ASP A 39 -8.665 7.085 3.863 1.00 71.51 C ATOM 673 OD1 ASP A 39 -9.347 7.405 2.859 1.00 54.44 O ATOM 674 OD2 ASP A 39 -9.097 6.311 4.743 1.00 34.42 O ATOM 0 H ASP A 39 -4.902 8.134 4.480 1.00 15.43 H new ATOM 0 HA ASP A 39 -6.211 5.882 3.442 1.00 13.30 H new ATOM 0 HB2 ASP A 39 -7.012 7.683 5.096 1.00 32.41 H new ATOM 0 HB3 ASP A 39 -7.291 8.729 3.718 1.00 32.41 H new ATOM 679 N LEU A 40 -6.152 8.419 1.282 1.00 2.30 N ATOM 680 CA LEU A 40 -6.234 8.809 -0.146 1.00 32.32 C ATOM 681 C LEU A 40 -5.020 8.291 -0.962 1.00 5.41 C ATOM 682 O LEU A 40 -5.160 7.972 -2.151 1.00 31.33 O ATOM 683 CB LEU A 40 -6.343 10.356 -0.258 1.00 71.41 C ATOM 684 CG LEU A 40 -7.620 10.993 0.382 1.00 71.12 C ATOM 685 CD1 LEU A 40 -7.572 12.538 0.321 1.00 33.12 C ATOM 686 CD2 LEU A 40 -8.910 10.436 -0.273 1.00 13.43 C ATOM 0 H LEU A 40 -5.956 9.203 1.904 1.00 2.30 H new ATOM 0 HA LEU A 40 -7.125 8.347 -0.570 1.00 32.32 H new ATOM 0 HB2 LEU A 40 -5.464 10.799 0.211 1.00 71.41 H new ATOM 0 HB3 LEU A 40 -6.313 10.629 -1.313 1.00 71.41 H new ATOM 0 HG LEU A 40 -7.639 10.712 1.435 1.00 71.12 H new ATOM 0 HD11 LEU A 40 -8.474 12.948 0.774 1.00 33.12 H new ATOM 0 HD12 LEU A 40 -6.698 12.897 0.864 1.00 33.12 H new ATOM 0 HD13 LEU A 40 -7.510 12.859 -0.719 1.00 33.12 H new ATOM 0 HD21 LEU A 40 -9.782 10.896 0.192 1.00 13.43 H new ATOM 0 HD22 LEU A 40 -8.904 10.664 -1.339 1.00 13.43 H new ATOM 0 HD23 LEU A 40 -8.952 9.356 -0.133 1.00 13.43 H new ATOM 698 N LEU A 41 -3.835 8.224 -0.316 1.00 11.54 N ATOM 699 CA LEU A 41 -2.588 7.719 -0.949 1.00 74.40 C ATOM 700 C LEU A 41 -2.745 6.248 -1.409 1.00 53.34 C ATOM 701 O LEU A 41 -2.573 5.934 -2.590 1.00 35.53 O ATOM 702 CB LEU A 41 -1.385 7.849 0.031 1.00 75.24 C ATOM 703 CG LEU A 41 0.010 7.397 -0.522 1.00 65.52 C ATOM 704 CD1 LEU A 41 0.402 8.188 -1.795 1.00 0.31 C ATOM 705 CD2 LEU A 41 1.106 7.497 0.571 1.00 51.22 C ATOM 0 H LEU A 41 -3.712 8.516 0.654 1.00 11.54 H new ATOM 0 HA LEU A 41 -2.393 8.331 -1.830 1.00 74.40 H new ATOM 0 HB2 LEU A 41 -1.309 8.890 0.343 1.00 75.24 H new ATOM 0 HB3 LEU A 41 -1.606 7.264 0.924 1.00 75.24 H new ATOM 0 HG LEU A 41 -0.074 6.349 -0.808 1.00 65.52 H new ATOM 0 HD11 LEU A 41 1.375 7.848 -2.150 1.00 0.31 H new ATOM 0 HD12 LEU A 41 -0.346 8.022 -2.571 1.00 0.31 H new ATOM 0 HD13 LEU A 41 0.453 9.251 -1.561 1.00 0.31 H new ATOM 0 HD21 LEU A 41 2.062 7.177 0.158 1.00 51.22 H new ATOM 0 HD22 LEU A 41 1.186 8.529 0.913 1.00 51.22 H new ATOM 0 HD23 LEU A 41 0.841 6.856 1.412 1.00 51.22 H new ATOM 717 N LEU A 42 -3.101 5.370 -0.457 1.00 11.31 N ATOM 718 CA LEU A 42 -3.306 3.928 -0.709 1.00 60.43 C ATOM 719 C LEU A 42 -4.623 3.644 -1.459 1.00 23.32 C ATOM 720 O LEU A 42 -4.737 2.604 -2.092 1.00 51.30 O ATOM 721 CB LEU A 42 -3.246 3.121 0.614 1.00 43.44 C ATOM 722 CG LEU A 42 -1.847 3.057 1.304 1.00 54.14 C ATOM 723 CD1 LEU A 42 -1.905 2.215 2.596 1.00 71.03 C ATOM 724 CD2 LEU A 42 -0.758 2.531 0.332 1.00 24.41 C ATOM 0 H LEU A 42 -3.256 5.639 0.515 1.00 11.31 H new ATOM 0 HA LEU A 42 -2.491 3.602 -1.356 1.00 60.43 H new ATOM 0 HB2 LEU A 42 -3.958 3.556 1.316 1.00 43.44 H new ATOM 0 HB3 LEU A 42 -3.578 2.103 0.413 1.00 43.44 H new ATOM 0 HG LEU A 42 -1.568 4.073 1.583 1.00 54.14 H new ATOM 0 HD11 LEU A 42 -0.917 2.187 3.057 1.00 71.03 H new ATOM 0 HD12 LEU A 42 -2.616 2.662 3.290 1.00 71.03 H new ATOM 0 HD13 LEU A 42 -2.222 1.200 2.355 1.00 71.03 H new ATOM 0 HD21 LEU A 42 0.203 2.499 0.845 1.00 24.41 H new ATOM 0 HD22 LEU A 42 -1.023 1.528 -0.004 1.00 24.41 H new ATOM 0 HD23 LEU A 42 -0.688 3.195 -0.529 1.00 24.41 H new ATOM 736 N SER A 43 -5.620 4.550 -1.355 1.00 30.42 N ATOM 737 CA SER A 43 -6.875 4.458 -2.153 1.00 15.10 C ATOM 738 C SER A 43 -6.578 4.569 -3.668 1.00 52.14 C ATOM 739 O SER A 43 -6.938 3.678 -4.443 1.00 13.41 O ATOM 740 CB SER A 43 -7.880 5.558 -1.746 1.00 5.25 C ATOM 741 OG SER A 43 -9.083 5.475 -2.499 1.00 55.22 O ATOM 0 H SER A 43 -5.586 5.354 -0.729 1.00 30.42 H new ATOM 0 HA SER A 43 -7.317 3.483 -1.946 1.00 15.10 H new ATOM 0 HB2 SER A 43 -8.108 5.468 -0.684 1.00 5.25 H new ATOM 0 HB3 SER A 43 -7.426 6.538 -1.892 1.00 5.25 H new ATOM 0 HG SER A 43 -9.697 6.184 -2.215 1.00 55.22 H new ATOM 747 N GLY A 44 -5.891 5.665 -4.059 1.00 42.00 N ATOM 748 CA GLY A 44 -5.478 5.885 -5.457 1.00 13.42 C ATOM 749 C GLY A 44 -4.461 4.849 -5.955 1.00 21.50 C ATOM 750 O GLY A 44 -4.519 4.410 -7.112 1.00 11.44 O ATOM 0 H GLY A 44 -5.612 6.411 -3.422 1.00 42.00 H new ATOM 0 HA2 GLY A 44 -6.359 5.858 -6.098 1.00 13.42 H new ATOM 0 HA3 GLY A 44 -5.047 6.882 -5.550 1.00 13.42 H new ATOM 754 N PHE A 45 -3.526 4.465 -5.058 1.00 10.14 N ATOM 755 CA PHE A 45 -2.524 3.407 -5.313 1.00 54.33 C ATOM 756 C PHE A 45 -3.203 2.047 -5.579 1.00 3.32 C ATOM 757 O PHE A 45 -2.815 1.325 -6.482 1.00 74.24 O ATOM 758 CB PHE A 45 -1.546 3.289 -4.111 1.00 13.55 C ATOM 759 CG PHE A 45 -0.452 2.231 -4.281 1.00 23.54 C ATOM 760 CD1 PHE A 45 0.651 2.474 -5.091 1.00 33.55 C ATOM 761 CD2 PHE A 45 -0.529 0.994 -3.637 1.00 22.33 C ATOM 762 CE1 PHE A 45 1.635 1.520 -5.255 1.00 33.42 C ATOM 763 CE2 PHE A 45 0.462 0.044 -3.804 1.00 13.41 C ATOM 764 CZ PHE A 45 1.541 0.307 -4.613 1.00 65.12 C ATOM 0 H PHE A 45 -3.445 4.883 -4.131 1.00 10.14 H new ATOM 0 HA PHE A 45 -1.962 3.686 -6.204 1.00 54.33 H new ATOM 0 HB2 PHE A 45 -1.074 4.258 -3.947 1.00 13.55 H new ATOM 0 HB3 PHE A 45 -2.120 3.058 -3.214 1.00 13.55 H new ATOM 0 HD1 PHE A 45 0.739 3.423 -5.599 1.00 33.55 H new ATOM 0 HD2 PHE A 45 -1.374 0.777 -3.000 1.00 22.33 H new ATOM 0 HE1 PHE A 45 2.483 1.727 -5.891 1.00 33.42 H new ATOM 0 HE2 PHE A 45 0.388 -0.907 -3.297 1.00 13.41 H new ATOM 0 HZ PHE A 45 2.313 -0.437 -4.744 1.00 65.12 H new ATOM 774 N ALA A 46 -4.223 1.716 -4.777 1.00 41.33 N ATOM 775 CA ALA A 46 -4.961 0.442 -4.906 1.00 32.12 C ATOM 776 C ALA A 46 -5.840 0.407 -6.170 1.00 52.11 C ATOM 777 O ALA A 46 -5.964 -0.629 -6.828 1.00 21.13 O ATOM 778 CB ALA A 46 -5.801 0.181 -3.654 1.00 61.33 C ATOM 0 H ALA A 46 -4.562 2.315 -4.024 1.00 41.33 H new ATOM 0 HA ALA A 46 -4.223 -0.354 -5.007 1.00 32.12 H new ATOM 0 HB1 ALA A 46 -6.338 -0.761 -3.766 1.00 61.33 H new ATOM 0 HB2 ALA A 46 -5.148 0.125 -2.783 1.00 61.33 H new ATOM 0 HB3 ALA A 46 -6.516 0.993 -3.520 1.00 61.33 H new ATOM 784 N ALA A 47 -6.421 1.563 -6.502 1.00 64.41 N ATOM 785 CA ALA A 47 -7.297 1.725 -7.677 1.00 44.21 C ATOM 786 C ALA A 47 -6.523 1.546 -9.010 1.00 42.15 C ATOM 787 O ALA A 47 -7.042 0.964 -9.972 1.00 45.12 O ATOM 788 CB ALA A 47 -7.965 3.103 -7.617 1.00 73.32 C ATOM 0 H ALA A 47 -6.299 2.421 -5.963 1.00 64.41 H new ATOM 0 HA ALA A 47 -8.058 0.945 -7.650 1.00 44.21 H new ATOM 0 HB1 ALA A 47 -8.615 3.230 -8.483 1.00 73.32 H new ATOM 0 HB2 ALA A 47 -8.557 3.181 -6.705 1.00 73.32 H new ATOM 0 HB3 ALA A 47 -7.199 3.879 -7.620 1.00 73.32 H new ATOM 794 N LYS A 48 -5.274 2.047 -9.041 1.00 22.31 N ATOM 795 CA LYS A 48 -4.395 1.952 -10.227 1.00 71.31 C ATOM 796 C LYS A 48 -3.604 0.616 -10.250 1.00 15.12 C ATOM 797 O LYS A 48 -3.693 -0.158 -11.212 1.00 12.11 O ATOM 798 CB LYS A 48 -3.406 3.154 -10.246 1.00 72.42 C ATOM 799 CG LYS A 48 -2.378 3.116 -11.408 1.00 24.44 C ATOM 800 CD LYS A 48 -1.376 4.294 -11.389 1.00 11.52 C ATOM 801 CE LYS A 48 -2.044 5.660 -11.611 1.00 51.51 C ATOM 802 NZ LYS A 48 -1.043 6.745 -11.737 1.00 22.14 N ATOM 0 H LYS A 48 -4.845 2.527 -8.250 1.00 22.31 H new ATOM 0 HA LYS A 48 -5.026 1.980 -11.115 1.00 71.31 H new ATOM 0 HB2 LYS A 48 -3.978 4.079 -10.313 1.00 72.42 H new ATOM 0 HB3 LYS A 48 -2.866 3.180 -9.299 1.00 72.42 H new ATOM 0 HG2 LYS A 48 -1.824 2.178 -11.361 1.00 24.44 H new ATOM 0 HG3 LYS A 48 -2.915 3.122 -12.357 1.00 24.44 H new ATOM 0 HD2 LYS A 48 -0.854 4.303 -10.432 1.00 11.52 H new ATOM 0 HD3 LYS A 48 -0.623 4.135 -12.161 1.00 11.52 H new ATOM 0 HE2 LYS A 48 -2.657 5.624 -12.512 1.00 51.51 H new ATOM 0 HE3 LYS A 48 -2.714 5.877 -10.779 1.00 51.51 H new ATOM 0 HZ1 LYS A 48 -1.531 7.652 -11.886 1.00 22.14 H new ATOM 0 HZ2 LYS A 48 -0.475 6.796 -10.867 1.00 22.14 H new ATOM 0 HZ3 LYS A 48 -0.420 6.550 -12.547 1.00 22.14 H new ATOM 816 N TYR A 49 -2.852 0.351 -9.165 1.00 71.54 N ATOM 817 CA TYR A 49 -1.872 -0.761 -9.110 1.00 44.35 C ATOM 818 C TYR A 49 -2.531 -2.141 -8.961 1.00 3.12 C ATOM 819 O TYR A 49 -2.264 -2.997 -9.787 1.00 12.12 O ATOM 820 CB TYR A 49 -0.810 -0.534 -8.003 1.00 73.31 C ATOM 821 CG TYR A 49 0.276 0.481 -8.400 1.00 72.14 C ATOM 822 CD1 TYR A 49 -0.005 1.846 -8.506 1.00 20.23 C ATOM 823 CD2 TYR A 49 1.585 0.067 -8.684 1.00 24.04 C ATOM 824 CE1 TYR A 49 0.978 2.752 -8.868 1.00 53.24 C ATOM 825 CE2 TYR A 49 2.563 0.973 -9.044 1.00 23.42 C ATOM 826 CZ TYR A 49 2.258 2.309 -9.136 1.00 61.23 C ATOM 827 OH TYR A 49 3.240 3.210 -9.500 1.00 52.25 O ATOM 0 H TYR A 49 -2.903 0.896 -8.304 1.00 71.54 H new ATOM 0 HA TYR A 49 -1.367 -0.758 -10.076 1.00 44.35 H new ATOM 0 HB2 TYR A 49 -1.308 -0.187 -7.097 1.00 73.31 H new ATOM 0 HB3 TYR A 49 -0.337 -1.486 -7.762 1.00 73.31 H new ATOM 0 HD1 TYR A 49 -1.005 2.200 -8.302 1.00 20.23 H new ATOM 0 HD2 TYR A 49 1.834 -0.982 -8.620 1.00 24.04 H new ATOM 0 HE1 TYR A 49 0.744 3.804 -8.941 1.00 53.24 H new ATOM 0 HE2 TYR A 49 3.566 0.632 -9.253 1.00 23.42 H new ATOM 0 HH TYR A 49 3.881 3.310 -8.766 1.00 52.25 H new ATOM 837 N LEU A 50 -3.402 -2.352 -7.936 1.00 73.11 N ATOM 838 CA LEU A 50 -4.055 -3.688 -7.700 1.00 1.03 C ATOM 839 C LEU A 50 -4.798 -4.229 -8.943 1.00 34.32 C ATOM 840 O LEU A 50 -4.883 -5.444 -9.142 1.00 10.24 O ATOM 841 CB LEU A 50 -5.024 -3.670 -6.478 1.00 71.42 C ATOM 842 CG LEU A 50 -4.379 -3.987 -5.094 1.00 72.43 C ATOM 843 CD1 LEU A 50 -3.580 -2.815 -4.528 1.00 64.41 C ATOM 844 CD2 LEU A 50 -5.426 -4.475 -4.086 1.00 53.24 C ATOM 0 H LEU A 50 -3.671 -1.632 -7.265 1.00 73.11 H new ATOM 0 HA LEU A 50 -3.230 -4.366 -7.481 1.00 1.03 H new ATOM 0 HB2 LEU A 50 -5.491 -2.686 -6.423 1.00 71.42 H new ATOM 0 HB3 LEU A 50 -5.821 -4.391 -6.660 1.00 71.42 H new ATOM 0 HG LEU A 50 -3.669 -4.795 -5.268 1.00 72.43 H new ATOM 0 HD11 LEU A 50 -3.155 -3.096 -3.564 1.00 64.41 H new ATOM 0 HD12 LEU A 50 -2.776 -2.556 -5.217 1.00 64.41 H new ATOM 0 HD13 LEU A 50 -4.237 -1.955 -4.398 1.00 64.41 H new ATOM 0 HD21 LEU A 50 -4.942 -4.687 -3.133 1.00 53.24 H new ATOM 0 HD22 LEU A 50 -6.183 -3.703 -3.945 1.00 53.24 H new ATOM 0 HD23 LEU A 50 -5.898 -5.382 -4.462 1.00 53.24 H new ATOM 856 N LYS A 51 -5.310 -3.309 -9.761 1.00 2.25 N ATOM 857 CA LYS A 51 -6.041 -3.632 -11.001 1.00 62.51 C ATOM 858 C LYS A 51 -5.147 -4.384 -12.034 1.00 34.24 C ATOM 859 O LYS A 51 -5.643 -5.189 -12.825 1.00 44.51 O ATOM 860 CB LYS A 51 -6.605 -2.310 -11.584 1.00 72.25 C ATOM 861 CG LYS A 51 -7.520 -2.465 -12.821 1.00 44.34 C ATOM 862 CD LYS A 51 -8.205 -1.135 -13.233 1.00 43.12 C ATOM 863 CE LYS A 51 -9.136 -0.574 -12.139 1.00 1.20 C ATOM 864 NZ LYS A 51 -9.743 0.719 -12.530 1.00 43.33 N ATOM 0 H LYS A 51 -5.232 -2.307 -9.586 1.00 2.25 H new ATOM 0 HA LYS A 51 -6.859 -4.315 -10.772 1.00 62.51 H new ATOM 0 HB2 LYS A 51 -7.165 -1.798 -10.801 1.00 72.25 H new ATOM 0 HB3 LYS A 51 -5.768 -1.665 -11.851 1.00 72.25 H new ATOM 0 HG2 LYS A 51 -6.931 -2.840 -13.658 1.00 44.34 H new ATOM 0 HG3 LYS A 51 -8.285 -3.212 -12.610 1.00 44.34 H new ATOM 0 HD2 LYS A 51 -7.439 -0.395 -13.466 1.00 43.12 H new ATOM 0 HD3 LYS A 51 -8.780 -1.296 -14.145 1.00 43.12 H new ATOM 0 HE2 LYS A 51 -9.926 -1.296 -11.931 1.00 1.20 H new ATOM 0 HE3 LYS A 51 -8.572 -0.444 -11.216 1.00 1.20 H new ATOM 0 HZ1 LYS A 51 -10.361 1.058 -11.765 1.00 43.33 H new ATOM 0 HZ2 LYS A 51 -8.992 1.417 -12.703 1.00 43.33 H new ATOM 0 HZ3 LYS A 51 -10.304 0.591 -13.397 1.00 43.33 H new ATOM 878 N LYS A 52 -3.823 -4.113 -12.004 1.00 11.45 N ATOM 879 CA LYS A 52 -2.823 -4.744 -12.917 1.00 14.22 C ATOM 880 C LYS A 52 -1.690 -5.496 -12.151 1.00 15.34 C ATOM 881 O LYS A 52 -0.822 -6.116 -12.780 1.00 42.15 O ATOM 882 CB LYS A 52 -2.195 -3.647 -13.825 1.00 34.22 C ATOM 883 CG LYS A 52 -3.227 -2.808 -14.620 1.00 0.35 C ATOM 884 CD LYS A 52 -2.577 -1.732 -15.525 1.00 33.44 C ATOM 885 CE LYS A 52 -1.726 -0.715 -14.737 1.00 63.35 C ATOM 886 NZ LYS A 52 -2.524 0.037 -13.729 1.00 40.12 N ATOM 0 H LYS A 52 -3.410 -3.451 -11.348 1.00 11.45 H new ATOM 0 HA LYS A 52 -3.352 -5.487 -13.514 1.00 14.22 H new ATOM 0 HB2 LYS A 52 -1.599 -2.976 -13.205 1.00 34.22 H new ATOM 0 HB3 LYS A 52 -1.511 -4.122 -14.529 1.00 34.22 H new ATOM 0 HG2 LYS A 52 -3.829 -3.475 -15.236 1.00 0.35 H new ATOM 0 HG3 LYS A 52 -3.906 -2.322 -13.920 1.00 0.35 H new ATOM 0 HD2 LYS A 52 -1.950 -2.222 -16.270 1.00 33.44 H new ATOM 0 HD3 LYS A 52 -3.359 -1.200 -16.067 1.00 33.44 H new ATOM 0 HE2 LYS A 52 -0.913 -1.239 -14.235 1.00 63.35 H new ATOM 0 HE3 LYS A 52 -1.270 -0.011 -15.433 1.00 63.35 H new ATOM 0 HZ1 LYS A 52 -1.993 0.877 -13.422 1.00 40.12 H new ATOM 0 HZ2 LYS A 52 -3.427 0.333 -14.152 1.00 40.12 H new ATOM 0 HZ3 LYS A 52 -2.710 -0.574 -12.908 1.00 40.12 H new ATOM 900 N MET A 53 -1.695 -5.425 -10.804 1.00 61.42 N ATOM 901 CA MET A 53 -0.638 -5.989 -9.944 1.00 2.43 C ATOM 902 C MET A 53 -0.705 -7.535 -9.903 1.00 13.23 C ATOM 903 O MET A 53 -1.790 -8.121 -10.015 1.00 35.21 O ATOM 904 CB MET A 53 -0.786 -5.416 -8.502 1.00 34.33 C ATOM 905 CG MET A 53 0.400 -5.709 -7.601 1.00 44.03 C ATOM 906 SD MET A 53 0.106 -5.409 -5.840 1.00 42.41 S ATOM 907 CE MET A 53 -0.102 -3.638 -5.756 1.00 10.22 C ATOM 0 H MET A 53 -2.441 -4.969 -10.279 1.00 61.42 H new ATOM 0 HA MET A 53 0.329 -5.708 -10.361 1.00 2.43 H new ATOM 0 HB2 MET A 53 -0.926 -4.337 -8.563 1.00 34.33 H new ATOM 0 HB3 MET A 53 -1.686 -5.829 -8.048 1.00 34.33 H new ATOM 0 HG2 MET A 53 0.691 -6.751 -7.734 1.00 44.03 H new ATOM 0 HG3 MET A 53 1.243 -5.098 -7.924 1.00 44.03 H new ATOM 0 HE1 MET A 53 -0.323 -3.346 -4.729 1.00 10.22 H new ATOM 0 HE2 MET A 53 0.815 -3.148 -6.083 1.00 10.22 H new ATOM 0 HE3 MET A 53 -0.925 -3.337 -6.404 1.00 10.22 H new ATOM 917 N ASN A 54 0.459 -8.182 -9.711 1.00 5.15 N ATOM 918 CA ASN A 54 0.570 -9.652 -9.666 1.00 35.54 C ATOM 919 C ASN A 54 0.093 -10.202 -8.303 1.00 44.02 C ATOM 920 O ASN A 54 0.213 -9.530 -7.272 1.00 13.32 O ATOM 921 CB ASN A 54 2.035 -10.073 -9.922 1.00 10.22 C ATOM 922 CG ASN A 54 2.573 -9.594 -11.272 1.00 51.44 C ATOM 923 OD1 ASN A 54 1.855 -9.547 -12.265 1.00 45.52 O ATOM 924 ND2 ASN A 54 3.829 -9.208 -11.311 1.00 41.32 N ATOM 0 H ASN A 54 1.349 -7.701 -9.583 1.00 5.15 H new ATOM 0 HA ASN A 54 -0.069 -10.070 -10.444 1.00 35.54 H new ATOM 0 HB2 ASN A 54 2.665 -9.676 -9.126 1.00 10.22 H new ATOM 0 HB3 ASN A 54 2.108 -11.160 -9.874 1.00 10.22 H new ATOM 0 HD21 ASN A 54 4.228 -8.859 -12.182 1.00 41.32 H new ATOM 0 HD22 ASN A 54 4.404 -9.258 -10.470 1.00 41.32 H new ATOM 931 N GLU A 55 -0.413 -11.446 -8.327 1.00 71.51 N ATOM 932 CA GLU A 55 -0.945 -12.162 -7.141 1.00 31.41 C ATOM 933 C GLU A 55 0.113 -12.251 -6.006 1.00 50.33 C ATOM 934 O GLU A 55 -0.200 -12.060 -4.830 1.00 34.34 O ATOM 935 CB GLU A 55 -1.398 -13.577 -7.586 1.00 64.10 C ATOM 936 CG GLU A 55 -2.363 -13.571 -8.798 1.00 51.11 C ATOM 937 CD GLU A 55 -2.730 -14.971 -9.320 1.00 35.22 C ATOM 938 OE1 GLU A 55 -3.606 -15.634 -8.721 1.00 22.12 O ATOM 939 OE2 GLU A 55 -2.148 -15.412 -10.334 1.00 33.52 O ATOM 0 H GLU A 55 -0.468 -11.998 -9.183 1.00 71.51 H new ATOM 0 HA GLU A 55 -1.793 -11.609 -6.737 1.00 31.41 H new ATOM 0 HB2 GLU A 55 -0.517 -14.168 -7.837 1.00 64.10 H new ATOM 0 HB3 GLU A 55 -1.886 -14.073 -6.747 1.00 64.10 H new ATOM 0 HG2 GLU A 55 -3.278 -13.049 -8.517 1.00 51.11 H new ATOM 0 HG3 GLU A 55 -1.907 -13.002 -9.608 1.00 51.11 H new ATOM 946 N GLU A 56 1.371 -12.505 -6.411 1.00 24.21 N ATOM 947 CA GLU A 56 2.550 -12.552 -5.511 1.00 41.01 C ATOM 948 C GLU A 56 2.807 -11.203 -4.765 1.00 5.22 C ATOM 949 O GLU A 56 3.280 -11.193 -3.627 1.00 1.23 O ATOM 950 CB GLU A 56 3.800 -12.948 -6.344 1.00 11.20 C ATOM 951 CG GLU A 56 4.101 -12.002 -7.529 1.00 10.15 C ATOM 952 CD GLU A 56 5.311 -12.428 -8.373 1.00 23.45 C ATOM 953 OE1 GLU A 56 5.135 -13.219 -9.326 1.00 72.03 O ATOM 954 OE2 GLU A 56 6.437 -11.968 -8.093 1.00 3.42 O ATOM 0 H GLU A 56 1.606 -12.687 -7.387 1.00 24.21 H new ATOM 0 HA GLU A 56 2.347 -13.294 -4.739 1.00 41.01 H new ATOM 0 HB2 GLU A 56 4.668 -12.973 -5.685 1.00 11.20 H new ATOM 0 HB3 GLU A 56 3.661 -13.959 -6.727 1.00 11.20 H new ATOM 0 HG2 GLU A 56 3.222 -11.950 -8.172 1.00 10.15 H new ATOM 0 HG3 GLU A 56 4.275 -10.997 -7.144 1.00 10.15 H new ATOM 961 N GLU A 57 2.533 -10.075 -5.448 1.00 34.10 N ATOM 962 CA GLU A 57 2.674 -8.716 -4.867 1.00 73.23 C ATOM 963 C GLU A 57 1.483 -8.350 -3.942 1.00 5.54 C ATOM 964 O GLU A 57 1.658 -7.609 -2.977 1.00 3.20 O ATOM 965 CB GLU A 57 2.795 -7.671 -5.996 1.00 12.21 C ATOM 966 CG GLU A 57 4.008 -7.838 -6.923 1.00 11.54 C ATOM 967 CD GLU A 57 3.993 -6.825 -8.079 1.00 43.40 C ATOM 968 OE1 GLU A 57 4.514 -5.699 -7.919 1.00 5.52 O ATOM 969 OE2 GLU A 57 3.424 -7.141 -9.144 1.00 32.23 O ATOM 0 H GLU A 57 2.208 -10.074 -6.415 1.00 34.10 H new ATOM 0 HA GLU A 57 3.579 -8.713 -4.259 1.00 73.23 H new ATOM 0 HB2 GLU A 57 1.889 -7.709 -6.601 1.00 12.21 H new ATOM 0 HB3 GLU A 57 2.837 -6.679 -5.546 1.00 12.21 H new ATOM 0 HG2 GLU A 57 4.925 -7.716 -6.346 1.00 11.54 H new ATOM 0 HG3 GLU A 57 4.018 -8.850 -7.328 1.00 11.54 H new ATOM 976 N LEU A 58 0.271 -8.854 -4.268 1.00 52.22 N ATOM 977 CA LEU A 58 -0.974 -8.572 -3.488 1.00 10.32 C ATOM 978 C LEU A 58 -0.902 -9.036 -2.007 1.00 23.31 C ATOM 979 O LEU A 58 -1.463 -8.386 -1.118 1.00 21.55 O ATOM 980 CB LEU A 58 -2.205 -9.216 -4.184 1.00 20.35 C ATOM 981 CG LEU A 58 -2.549 -8.649 -5.597 1.00 54.32 C ATOM 982 CD1 LEU A 58 -3.795 -9.323 -6.182 1.00 63.35 C ATOM 983 CD2 LEU A 58 -2.724 -7.123 -5.565 1.00 54.32 C ATOM 0 H LEU A 58 0.120 -9.464 -5.071 1.00 52.22 H new ATOM 0 HA LEU A 58 -1.078 -7.487 -3.469 1.00 10.32 H new ATOM 0 HB2 LEU A 58 -2.030 -10.288 -4.274 1.00 20.35 H new ATOM 0 HB3 LEU A 58 -3.074 -9.088 -3.539 1.00 20.35 H new ATOM 0 HG LEU A 58 -1.705 -8.876 -6.248 1.00 54.32 H new ATOM 0 HD11 LEU A 58 -4.007 -8.905 -7.166 1.00 63.35 H new ATOM 0 HD12 LEU A 58 -3.620 -10.395 -6.273 1.00 63.35 H new ATOM 0 HD13 LEU A 58 -4.646 -9.149 -5.523 1.00 63.35 H new ATOM 0 HD21 LEU A 58 -2.963 -6.763 -6.566 1.00 54.32 H new ATOM 0 HD22 LEU A 58 -3.534 -6.864 -4.883 1.00 54.32 H new ATOM 0 HD23 LEU A 58 -1.799 -6.658 -5.223 1.00 54.32 H new ATOM 995 N GLU A 59 -0.233 -10.171 -1.751 1.00 3.30 N ATOM 996 CA GLU A 59 -0.015 -10.678 -0.371 1.00 64.01 C ATOM 997 C GLU A 59 1.028 -9.826 0.394 1.00 64.02 C ATOM 998 O GLU A 59 0.971 -9.714 1.623 1.00 1.13 O ATOM 999 CB GLU A 59 0.380 -12.176 -0.421 1.00 2.35 C ATOM 1000 CG GLU A 59 1.602 -12.493 -1.301 1.00 54.10 C ATOM 1001 CD GLU A 59 1.756 -13.989 -1.615 1.00 4.42 C ATOM 1002 OE1 GLU A 59 1.109 -14.474 -2.567 1.00 72.34 O ATOM 1003 OE2 GLU A 59 2.511 -14.689 -0.910 1.00 34.33 O ATOM 0 H GLU A 59 0.170 -10.762 -2.478 1.00 3.30 H new ATOM 0 HA GLU A 59 -0.948 -10.588 0.186 1.00 64.01 H new ATOM 0 HB2 GLU A 59 0.583 -12.518 0.594 1.00 2.35 H new ATOM 0 HB3 GLU A 59 -0.472 -12.750 -0.786 1.00 2.35 H new ATOM 0 HG2 GLU A 59 1.520 -11.940 -2.236 1.00 54.10 H new ATOM 0 HG3 GLU A 59 2.503 -12.140 -0.799 1.00 54.10 H new ATOM 1010 N GLU A 60 1.968 -9.222 -0.352 1.00 75.01 N ATOM 1011 CA GLU A 60 2.929 -8.243 0.201 1.00 25.33 C ATOM 1012 C GLU A 60 2.206 -6.899 0.509 1.00 65.43 C ATOM 1013 O GLU A 60 2.542 -6.206 1.480 1.00 71.44 O ATOM 1014 CB GLU A 60 4.112 -8.057 -0.791 1.00 24.40 C ATOM 1015 CG GLU A 60 5.273 -7.180 -0.276 1.00 14.45 C ATOM 1016 CD GLU A 60 6.532 -7.261 -1.164 1.00 13.20 C ATOM 1017 OE1 GLU A 60 6.547 -6.655 -2.260 1.00 13.42 O ATOM 1018 OE2 GLU A 60 7.516 -7.936 -0.769 1.00 74.41 O ATOM 0 H GLU A 60 2.086 -9.395 -1.350 1.00 75.01 H new ATOM 0 HA GLU A 60 3.337 -8.614 1.141 1.00 25.33 H new ATOM 0 HB2 GLU A 60 4.507 -9.040 -1.048 1.00 24.40 H new ATOM 0 HB3 GLU A 60 3.727 -7.618 -1.711 1.00 24.40 H new ATOM 0 HG2 GLU A 60 4.941 -6.143 -0.221 1.00 14.45 H new ATOM 0 HG3 GLU A 60 5.530 -7.487 0.738 1.00 14.45 H new ATOM 1025 N TYR A 61 1.189 -6.551 -0.323 1.00 10.14 N ATOM 1026 CA TYR A 61 0.311 -5.379 -0.087 1.00 23.32 C ATOM 1027 C TYR A 61 -0.570 -5.560 1.167 1.00 13.01 C ATOM 1028 O TYR A 61 -0.826 -4.594 1.896 1.00 34.14 O ATOM 1029 CB TYR A 61 -0.574 -5.081 -1.320 1.00 31.12 C ATOM 1030 CG TYR A 61 -1.321 -3.742 -1.204 1.00 64.40 C ATOM 1031 CD1 TYR A 61 -0.606 -2.543 -1.184 1.00 42.14 C ATOM 1032 CD2 TYR A 61 -2.714 -3.664 -1.088 1.00 51.43 C ATOM 1033 CE1 TYR A 61 -1.235 -1.331 -1.067 1.00 75.14 C ATOM 1034 CE2 TYR A 61 -3.350 -2.437 -0.974 1.00 65.44 C ATOM 1035 CZ TYR A 61 -2.596 -1.276 -0.967 1.00 33.55 C ATOM 1036 OH TYR A 61 -3.202 -0.050 -0.872 1.00 54.44 O ATOM 0 H TYR A 61 0.958 -7.072 -1.169 1.00 10.14 H new ATOM 0 HA TYR A 61 0.968 -4.527 0.084 1.00 23.32 H new ATOM 0 HB2 TYR A 61 0.049 -5.069 -2.215 1.00 31.12 H new ATOM 0 HB3 TYR A 61 -1.298 -5.886 -1.446 1.00 31.12 H new ATOM 0 HD1 TYR A 61 0.471 -2.571 -1.263 1.00 42.14 H new ATOM 0 HD2 TYR A 61 -3.301 -4.571 -1.087 1.00 51.43 H new ATOM 0 HE1 TYR A 61 -0.655 -0.420 -1.054 1.00 75.14 H new ATOM 0 HE2 TYR A 61 -4.426 -2.388 -0.891 1.00 65.44 H new ATOM 0 HH TYR A 61 -3.125 0.420 -1.728 1.00 54.44 H new ATOM 1046 N ASP A 62 -1.039 -6.800 1.388 1.00 3.22 N ATOM 1047 CA ASP A 62 -1.782 -7.182 2.608 1.00 2.33 C ATOM 1048 C ASP A 62 -0.957 -6.831 3.872 1.00 74.32 C ATOM 1049 O ASP A 62 -1.470 -6.213 4.808 1.00 32.41 O ATOM 1050 CB ASP A 62 -2.115 -8.695 2.549 1.00 35.12 C ATOM 1051 CG ASP A 62 -2.969 -9.180 3.737 1.00 32.12 C ATOM 1052 OD1 ASP A 62 -2.394 -9.564 4.779 1.00 55.13 O ATOM 1053 OD2 ASP A 62 -4.217 -9.185 3.624 1.00 61.11 O ATOM 0 H ASP A 62 -0.915 -7.568 0.728 1.00 3.22 H new ATOM 0 HA ASP A 62 -2.716 -6.623 2.662 1.00 2.33 H new ATOM 0 HB2 ASP A 62 -2.644 -8.907 1.620 1.00 35.12 H new ATOM 0 HB3 ASP A 62 -1.185 -9.263 2.523 1.00 35.12 H new ATOM 1058 N SER A 63 0.345 -7.188 3.834 1.00 32.22 N ATOM 1059 CA SER A 63 1.321 -6.879 4.909 1.00 12.33 C ATOM 1060 C SER A 63 1.456 -5.352 5.160 1.00 53.44 C ATOM 1061 O SER A 63 1.618 -4.923 6.304 1.00 54.04 O ATOM 1062 CB SER A 63 2.708 -7.475 4.554 1.00 4.42 C ATOM 1063 OG SER A 63 2.634 -8.881 4.310 1.00 54.44 O ATOM 0 H SER A 63 0.754 -7.702 3.053 1.00 32.22 H new ATOM 0 HA SER A 63 0.946 -7.332 5.827 1.00 12.33 H new ATOM 0 HB2 SER A 63 3.104 -6.973 3.671 1.00 4.42 H new ATOM 0 HB3 SER A 63 3.405 -7.284 5.369 1.00 4.42 H new ATOM 0 HG SER A 63 2.176 -9.042 3.459 1.00 54.44 H new ATOM 1069 N LEU A 64 1.376 -4.544 4.072 1.00 44.53 N ATOM 1070 CA LEU A 64 1.452 -3.061 4.148 1.00 44.43 C ATOM 1071 C LEU A 64 0.222 -2.456 4.872 1.00 2.23 C ATOM 1072 O LEU A 64 0.336 -1.449 5.571 1.00 42.31 O ATOM 1073 CB LEU A 64 1.579 -2.455 2.726 1.00 2.10 C ATOM 1074 CG LEU A 64 1.860 -0.919 2.658 1.00 65.55 C ATOM 1075 CD1 LEU A 64 3.245 -0.567 3.263 1.00 33.21 C ATOM 1076 CD2 LEU A 64 1.711 -0.379 1.215 1.00 0.42 C ATOM 0 H LEU A 64 1.258 -4.899 3.123 1.00 44.53 H new ATOM 0 HA LEU A 64 2.338 -2.809 4.730 1.00 44.43 H new ATOM 0 HB2 LEU A 64 2.381 -2.974 2.202 1.00 2.10 H new ATOM 0 HB3 LEU A 64 0.657 -2.660 2.182 1.00 2.10 H new ATOM 0 HG LEU A 64 1.106 -0.421 3.268 1.00 65.55 H new ATOM 0 HD11 LEU A 64 3.407 0.509 3.199 1.00 33.21 H new ATOM 0 HD12 LEU A 64 3.275 -0.877 4.308 1.00 33.21 H new ATOM 0 HD13 LEU A 64 4.027 -1.085 2.708 1.00 33.21 H new ATOM 0 HD21 LEU A 64 1.913 0.692 1.205 1.00 0.42 H new ATOM 0 HD22 LEU A 64 2.419 -0.888 0.561 1.00 0.42 H new ATOM 0 HD23 LEU A 64 0.696 -0.560 0.862 1.00 0.42 H new ATOM 1088 N LEU A 65 -0.948 -3.088 4.691 1.00 15.33 N ATOM 1089 CA LEU A 65 -2.207 -2.660 5.346 1.00 51.45 C ATOM 1090 C LEU A 65 -2.201 -2.965 6.870 1.00 15.02 C ATOM 1091 O LEU A 65 -2.989 -2.384 7.627 1.00 24.12 O ATOM 1092 CB LEU A 65 -3.417 -3.328 4.639 1.00 14.55 C ATOM 1093 CG LEU A 65 -3.504 -3.079 3.096 1.00 32.25 C ATOM 1094 CD1 LEU A 65 -4.722 -3.784 2.473 1.00 25.03 C ATOM 1095 CD2 LEU A 65 -3.494 -1.568 2.768 1.00 64.02 C ATOM 0 H LEU A 65 -1.054 -3.906 4.091 1.00 15.33 H new ATOM 0 HA LEU A 65 -2.294 -1.578 5.248 1.00 51.45 H new ATOM 0 HB2 LEU A 65 -3.374 -4.403 4.816 1.00 14.55 H new ATOM 0 HB3 LEU A 65 -4.335 -2.965 5.102 1.00 14.55 H new ATOM 0 HG LEU A 65 -2.614 -3.518 2.646 1.00 32.25 H new ATOM 0 HD11 LEU A 65 -4.747 -3.587 1.401 1.00 25.03 H new ATOM 0 HD12 LEU A 65 -4.647 -4.858 2.643 1.00 25.03 H new ATOM 0 HD13 LEU A 65 -5.635 -3.407 2.933 1.00 25.03 H new ATOM 0 HD21 LEU A 65 -3.556 -1.430 1.689 1.00 64.02 H new ATOM 0 HD22 LEU A 65 -4.348 -1.087 3.245 1.00 64.02 H new ATOM 0 HD23 LEU A 65 -2.572 -1.121 3.139 1.00 64.02 H new ATOM 1107 N ASN A 66 -1.304 -3.881 7.305 1.00 42.33 N ATOM 1108 CA ASN A 66 -1.053 -4.165 8.744 1.00 51.35 C ATOM 1109 C ASN A 66 -0.031 -3.167 9.371 1.00 42.05 C ATOM 1110 O ASN A 66 0.183 -3.187 10.590 1.00 43.32 O ATOM 1111 CB ASN A 66 -0.551 -5.624 8.938 1.00 45.42 C ATOM 1112 CG ASN A 66 -1.596 -6.683 8.566 1.00 0.22 C ATOM 1113 OD1 ASN A 66 -2.421 -7.074 9.383 1.00 41.11 O ATOM 1114 ND2 ASN A 66 -1.561 -7.167 7.343 1.00 23.41 N ATOM 0 H ASN A 66 -0.734 -4.444 6.673 1.00 42.33 H new ATOM 0 HA ASN A 66 -2.004 -4.039 9.261 1.00 51.35 H new ATOM 0 HB2 ASN A 66 0.342 -5.777 8.332 1.00 45.42 H new ATOM 0 HB3 ASN A 66 -0.257 -5.764 9.978 1.00 45.42 H new ATOM 0 HD21 ASN A 66 -2.230 -7.883 7.058 1.00 23.41 H new ATOM 0 HD22 ASN A 66 -0.865 -6.826 6.679 1.00 23.41 H new ATOM 1121 N GLU A 67 0.606 -2.313 8.538 1.00 64.31 N ATOM 1122 CA GLU A 67 1.571 -1.285 9.016 1.00 72.52 C ATOM 1123 C GLU A 67 0.850 0.004 9.482 1.00 31.22 C ATOM 1124 O GLU A 67 -0.347 0.204 9.220 1.00 15.15 O ATOM 1125 CB GLU A 67 2.606 -0.934 7.901 1.00 3.13 C ATOM 1126 CG GLU A 67 3.347 -2.142 7.291 1.00 11.14 C ATOM 1127 CD GLU A 67 4.131 -2.987 8.307 1.00 22.33 C ATOM 1128 OE1 GLU A 67 5.286 -2.632 8.633 1.00 34.43 O ATOM 1129 OE2 GLU A 67 3.609 -4.022 8.783 1.00 31.00 O ATOM 0 H GLU A 67 0.471 -2.312 7.527 1.00 64.31 H new ATOM 0 HA GLU A 67 2.096 -1.712 9.871 1.00 72.52 H new ATOM 0 HB2 GLU A 67 2.089 -0.403 7.101 1.00 3.13 H new ATOM 0 HB3 GLU A 67 3.344 -0.247 8.315 1.00 3.13 H new ATOM 0 HG2 GLU A 67 2.621 -2.782 6.788 1.00 11.14 H new ATOM 0 HG3 GLU A 67 4.037 -1.782 6.528 1.00 11.14 H new ATOM 1136 N LEU A 68 1.612 0.877 10.168 1.00 34.34 N ATOM 1137 CA LEU A 68 1.110 2.176 10.659 1.00 72.45 C ATOM 1138 C LEU A 68 1.035 3.205 9.512 1.00 62.14 C ATOM 1139 O LEU A 68 1.988 3.348 8.742 1.00 34.43 O ATOM 1140 CB LEU A 68 2.010 2.708 11.797 1.00 73.34 C ATOM 1141 CG LEU A 68 2.088 1.817 13.077 1.00 15.44 C ATOM 1142 CD1 LEU A 68 3.090 2.404 14.097 1.00 40.44 C ATOM 1143 CD2 LEU A 68 0.679 1.621 13.704 1.00 52.31 C ATOM 0 H LEU A 68 2.591 0.703 10.397 1.00 34.34 H new ATOM 0 HA LEU A 68 0.104 2.025 11.050 1.00 72.45 H new ATOM 0 HB2 LEU A 68 3.019 2.838 11.406 1.00 73.34 H new ATOM 0 HB3 LEU A 68 1.651 3.696 12.086 1.00 73.34 H new ATOM 0 HG LEU A 68 2.456 0.833 12.786 1.00 15.44 H new ATOM 0 HD11 LEU A 68 3.127 1.766 14.980 1.00 40.44 H new ATOM 0 HD12 LEU A 68 4.081 2.456 13.645 1.00 40.44 H new ATOM 0 HD13 LEU A 68 2.770 3.405 14.386 1.00 40.44 H new ATOM 0 HD21 LEU A 68 0.760 0.997 14.594 1.00 52.31 H new ATOM 0 HD22 LEU A 68 0.264 2.591 13.978 1.00 52.31 H new ATOM 0 HD23 LEU A 68 0.023 1.137 12.980 1.00 52.31 H new ATOM 1155 N ASP A 69 -0.103 3.910 9.450 1.00 23.02 N ATOM 1156 CA ASP A 69 -0.466 4.860 8.361 1.00 41.12 C ATOM 1157 C ASP A 69 0.659 5.876 8.045 1.00 20.24 C ATOM 1158 O ASP A 69 1.094 5.992 6.895 1.00 35.32 O ATOM 1159 CB ASP A 69 -1.753 5.623 8.748 1.00 12.25 C ATOM 1160 CG ASP A 69 -2.793 4.713 9.411 1.00 10.14 C ATOM 1161 OD1 ASP A 69 -3.315 3.801 8.745 1.00 61.31 O ATOM 1162 OD2 ASP A 69 -3.047 4.871 10.622 1.00 52.52 O ATOM 0 H ASP A 69 -0.823 3.842 10.169 1.00 23.02 H new ATOM 0 HA ASP A 69 -0.625 4.267 7.461 1.00 41.12 H new ATOM 0 HB2 ASP A 69 -1.500 6.437 9.428 1.00 12.25 H new ATOM 0 HB3 ASP A 69 -2.186 6.076 7.856 1.00 12.25 H new ATOM 1167 N TRP A 70 1.122 6.597 9.093 1.00 13.31 N ATOM 1168 CA TRP A 70 2.235 7.571 8.985 1.00 2.11 C ATOM 1169 C TRP A 70 3.505 6.943 8.375 1.00 35.41 C ATOM 1170 O TRP A 70 4.091 7.510 7.456 1.00 60.04 O ATOM 1171 CB TRP A 70 2.567 8.192 10.369 1.00 74.30 C ATOM 1172 CG TRP A 70 1.551 9.208 10.835 1.00 12.21 C ATOM 1173 CD1 TRP A 70 0.673 9.099 11.879 1.00 74.30 C ATOM 1174 CD2 TRP A 70 1.317 10.497 10.244 1.00 72.32 C ATOM 1175 NE1 TRP A 70 -0.076 10.243 11.978 1.00 31.51 N ATOM 1176 CE2 TRP A 70 0.299 11.114 10.988 1.00 45.34 C ATOM 1177 CE3 TRP A 70 1.876 11.191 9.160 1.00 22.34 C ATOM 1178 CZ2 TRP A 70 -0.180 12.385 10.682 1.00 2.43 C ATOM 1179 CZ3 TRP A 70 1.399 12.449 8.856 1.00 50.42 C ATOM 1180 CH2 TRP A 70 0.382 13.037 9.618 1.00 4.24 C ATOM 0 H TRP A 70 0.736 6.521 10.034 1.00 13.31 H new ATOM 0 HA TRP A 70 1.895 8.358 8.311 1.00 2.11 H new ATOM 0 HB2 TRP A 70 2.636 7.394 11.109 1.00 74.30 H new ATOM 0 HB3 TRP A 70 3.547 8.667 10.319 1.00 74.30 H new ATOM 0 HD1 TRP A 70 0.584 8.240 12.528 1.00 74.30 H new ATOM 0 HE1 TRP A 70 -0.798 10.418 12.677 1.00 31.51 H new ATOM 0 HE3 TRP A 70 2.667 10.747 8.573 1.00 22.34 H new ATOM 0 HZ2 TRP A 70 -0.968 12.840 11.264 1.00 2.43 H new ATOM 0 HZ3 TRP A 70 1.816 12.988 8.018 1.00 50.42 H new ATOM 0 HH2 TRP A 70 0.034 14.026 9.361 1.00 4.24 H new ATOM 1191 N ASP A 71 3.890 5.754 8.874 1.00 71.21 N ATOM 1192 CA ASP A 71 5.108 5.043 8.426 1.00 24.22 C ATOM 1193 C ASP A 71 5.037 4.691 6.918 1.00 52.20 C ATOM 1194 O ASP A 71 5.992 4.938 6.184 1.00 54.10 O ATOM 1195 CB ASP A 71 5.313 3.774 9.283 1.00 5.25 C ATOM 1196 CG ASP A 71 5.587 4.106 10.759 1.00 1.40 C ATOM 1197 OD1 ASP A 71 4.664 4.590 11.444 1.00 72.13 O ATOM 1198 OD2 ASP A 71 6.729 3.919 11.233 1.00 24.32 O ATOM 0 H ASP A 71 3.369 5.258 9.597 1.00 71.21 H new ATOM 0 HA ASP A 71 5.964 5.704 8.560 1.00 24.22 H new ATOM 0 HB2 ASP A 71 4.427 3.144 9.213 1.00 5.25 H new ATOM 0 HB3 ASP A 71 6.146 3.198 8.882 1.00 5.25 H new ATOM 1203 N ILE A 72 3.874 4.157 6.479 1.00 10.32 N ATOM 1204 CA ILE A 72 3.577 3.865 5.043 1.00 55.42 C ATOM 1205 C ILE A 72 3.804 5.122 4.160 1.00 43.44 C ATOM 1206 O ILE A 72 4.457 5.065 3.107 1.00 63.24 O ATOM 1207 CB ILE A 72 2.078 3.390 4.866 1.00 65.01 C ATOM 1208 CG1 ILE A 72 1.759 2.143 5.754 1.00 32.21 C ATOM 1209 CG2 ILE A 72 1.747 3.104 3.376 1.00 55.23 C ATOM 1210 CD1 ILE A 72 0.280 1.766 5.814 1.00 21.01 C ATOM 0 H ILE A 72 3.108 3.913 7.107 1.00 10.32 H new ATOM 0 HA ILE A 72 4.255 3.072 4.728 1.00 55.42 H new ATOM 0 HB ILE A 72 1.441 4.208 5.202 1.00 65.01 H new ATOM 0 HG12 ILE A 72 2.323 1.290 5.376 1.00 32.21 H new ATOM 0 HG13 ILE A 72 2.113 2.335 6.767 1.00 32.21 H new ATOM 0 HG21 ILE A 72 0.710 2.780 3.289 1.00 55.23 H new ATOM 0 HG22 ILE A 72 1.894 4.011 2.790 1.00 55.23 H new ATOM 0 HG23 ILE A 72 2.405 2.320 3.001 1.00 55.23 H new ATOM 0 HD11 ILE A 72 0.153 0.891 6.452 1.00 21.01 H new ATOM 0 HD12 ILE A 72 -0.292 2.599 6.223 1.00 21.01 H new ATOM 0 HD13 ILE A 72 -0.078 1.538 4.810 1.00 21.01 H new ATOM 1222 N TYR A 73 3.266 6.253 4.647 1.00 44.22 N ATOM 1223 CA TYR A 73 3.353 7.567 3.988 1.00 62.44 C ATOM 1224 C TYR A 73 4.825 8.043 3.862 1.00 50.42 C ATOM 1225 O TYR A 73 5.237 8.504 2.800 1.00 52.03 O ATOM 1226 CB TYR A 73 2.507 8.583 4.806 1.00 44.55 C ATOM 1227 CG TYR A 73 2.469 10.019 4.259 1.00 73.50 C ATOM 1228 CD1 TYR A 73 1.524 10.408 3.300 1.00 71.34 C ATOM 1229 CD2 TYR A 73 3.372 10.990 4.711 1.00 72.41 C ATOM 1230 CE1 TYR A 73 1.488 11.707 2.820 1.00 55.35 C ATOM 1231 CE2 TYR A 73 3.334 12.284 4.233 1.00 74.11 C ATOM 1232 CZ TYR A 73 2.394 12.637 3.289 1.00 41.14 C ATOM 1233 OH TYR A 73 2.352 13.929 2.822 1.00 23.42 O ATOM 0 H TYR A 73 2.749 6.280 5.526 1.00 44.22 H new ATOM 0 HA TYR A 73 2.961 7.490 2.974 1.00 62.44 H new ATOM 0 HB2 TYR A 73 1.484 8.210 4.865 1.00 44.55 H new ATOM 0 HB3 TYR A 73 2.895 8.613 5.824 1.00 44.55 H new ATOM 0 HD1 TYR A 73 0.813 9.684 2.930 1.00 71.34 H new ATOM 0 HD2 TYR A 73 4.113 10.720 5.449 1.00 72.41 H new ATOM 0 HE1 TYR A 73 0.753 11.991 2.081 1.00 55.35 H new ATOM 0 HE2 TYR A 73 4.038 13.017 4.597 1.00 74.11 H new ATOM 0 HH TYR A 73 1.642 14.421 3.285 1.00 23.42 H new ATOM 1243 N TYR A 74 5.603 7.904 4.954 1.00 5.40 N ATOM 1244 CA TYR A 74 7.003 8.399 5.028 1.00 21.14 C ATOM 1245 C TYR A 74 7.975 7.590 4.143 1.00 13.33 C ATOM 1246 O TYR A 74 8.868 8.168 3.518 1.00 22.15 O ATOM 1247 CB TYR A 74 7.509 8.395 6.493 1.00 23.54 C ATOM 1248 CG TYR A 74 6.788 9.382 7.432 1.00 63.00 C ATOM 1249 CD1 TYR A 74 6.514 10.697 7.043 1.00 75.43 C ATOM 1250 CD2 TYR A 74 6.407 9.004 8.718 1.00 52.33 C ATOM 1251 CE1 TYR A 74 5.887 11.583 7.902 1.00 44.25 C ATOM 1252 CE2 TYR A 74 5.778 9.882 9.572 1.00 1.21 C ATOM 1253 CZ TYR A 74 5.522 11.167 9.163 1.00 62.54 C ATOM 1254 OH TYR A 74 4.907 12.039 10.028 1.00 20.32 O ATOM 0 H TYR A 74 5.285 7.448 5.809 1.00 5.40 H new ATOM 0 HA TYR A 74 6.986 9.420 4.646 1.00 21.14 H new ATOM 0 HB2 TYR A 74 7.401 7.388 6.896 1.00 23.54 H new ATOM 0 HB3 TYR A 74 8.574 8.627 6.495 1.00 23.54 H new ATOM 0 HD1 TYR A 74 6.797 11.027 6.054 1.00 75.43 H new ATOM 0 HD2 TYR A 74 6.610 7.998 9.053 1.00 52.33 H new ATOM 0 HE1 TYR A 74 5.685 12.595 7.585 1.00 44.25 H new ATOM 0 HE2 TYR A 74 5.487 9.560 10.561 1.00 1.21 H new ATOM 0 HH TYR A 74 3.935 11.958 9.938 1.00 20.32 H new ATOM 1264 N TRP A 75 7.808 6.250 4.108 1.00 62.54 N ATOM 1265 CA TRP A 75 8.646 5.366 3.259 1.00 32.52 C ATOM 1266 C TRP A 75 8.425 5.672 1.760 1.00 1.55 C ATOM 1267 O TRP A 75 9.368 5.657 0.958 1.00 22.15 O ATOM 1268 CB TRP A 75 8.354 3.869 3.529 1.00 64.15 C ATOM 1269 CG TRP A 75 8.514 3.420 4.964 1.00 14.02 C ATOM 1270 CD1 TRP A 75 9.433 3.855 5.883 1.00 74.12 C ATOM 1271 CD2 TRP A 75 7.735 2.415 5.627 1.00 51.12 C ATOM 1272 NE1 TRP A 75 9.259 3.190 7.069 1.00 23.41 N ATOM 1273 CE2 TRP A 75 8.224 2.304 6.935 1.00 21.44 C ATOM 1274 CE3 TRP A 75 6.664 1.604 5.231 1.00 21.43 C ATOM 1275 CZ2 TRP A 75 7.678 1.417 7.858 1.00 45.24 C ATOM 1276 CZ3 TRP A 75 6.121 0.727 6.147 1.00 24.33 C ATOM 1277 CH2 TRP A 75 6.634 0.633 7.448 1.00 13.44 C ATOM 0 H TRP A 75 7.104 5.755 4.655 1.00 62.54 H new ATOM 0 HA TRP A 75 9.685 5.567 3.518 1.00 32.52 H new ATOM 0 HB2 TRP A 75 7.334 3.653 3.211 1.00 64.15 H new ATOM 0 HB3 TRP A 75 9.016 3.270 2.904 1.00 64.15 H new ATOM 0 HD1 TRP A 75 10.183 4.610 5.700 1.00 74.12 H new ATOM 0 HE1 TRP A 75 9.811 3.332 7.915 1.00 23.41 H new ATOM 0 HE3 TRP A 75 6.271 1.664 4.227 1.00 21.43 H new ATOM 0 HZ2 TRP A 75 8.065 1.350 8.864 1.00 45.24 H new ATOM 0 HZ3 TRP A 75 5.288 0.103 5.857 1.00 24.33 H new ATOM 0 HH2 TRP A 75 6.197 -0.072 8.140 1.00 13.44 H new ATOM 1288 N ALA A 76 7.159 5.958 1.421 1.00 12.53 N ATOM 1289 CA ALA A 76 6.735 6.324 0.060 1.00 2.45 C ATOM 1290 C ALA A 76 7.308 7.696 -0.372 1.00 21.23 C ATOM 1291 O ALA A 76 7.999 7.809 -1.390 1.00 61.54 O ATOM 1292 CB ALA A 76 5.202 6.343 0.005 1.00 72.41 C ATOM 0 H ALA A 76 6.391 5.942 2.092 1.00 12.53 H new ATOM 0 HA ALA A 76 7.125 5.582 -0.637 1.00 2.45 H new ATOM 0 HB1 ALA A 76 4.877 6.613 -1.000 1.00 72.41 H new ATOM 0 HB2 ALA A 76 4.817 5.355 0.257 1.00 72.41 H new ATOM 0 HB3 ALA A 76 4.821 7.074 0.718 1.00 72.41 H new ATOM 1298 N THR A 77 7.030 8.730 0.445 1.00 14.13 N ATOM 1299 CA THR A 77 7.390 10.145 0.150 1.00 3.11 C ATOM 1300 C THR A 77 8.844 10.486 0.552 1.00 2.32 C ATOM 1301 O THR A 77 9.244 11.656 0.494 1.00 13.02 O ATOM 1302 CB THR A 77 6.414 11.137 0.871 1.00 73.42 C ATOM 1303 OG1 THR A 77 6.493 10.960 2.303 1.00 42.34 O ATOM 1304 CG2 THR A 77 4.956 10.943 0.401 1.00 32.24 C ATOM 0 H THR A 77 6.547 8.614 1.336 1.00 14.13 H new ATOM 0 HA THR A 77 7.301 10.259 -0.930 1.00 3.11 H new ATOM 0 HB THR A 77 6.721 12.150 0.611 1.00 73.42 H new ATOM 0 HG1 THR A 77 6.067 10.113 2.552 1.00 42.34 H new ATOM 0 HG21 THR A 77 4.309 11.648 0.923 1.00 32.24 H new ATOM 0 HG22 THR A 77 4.893 11.119 -0.673 1.00 32.24 H new ATOM 0 HG23 THR A 77 4.635 9.925 0.621 1.00 32.24 H new ATOM 1312 N LYS A 78 9.613 9.453 0.974 1.00 14.31 N ATOM 1313 CA LYS A 78 11.067 9.548 1.285 1.00 52.55 C ATOM 1314 C LYS A 78 11.368 10.416 2.540 1.00 3.53 C ATOM 1315 O LYS A 78 12.508 10.849 2.755 1.00 32.42 O ATOM 1316 CB LYS A 78 11.870 10.036 0.041 1.00 44.15 C ATOM 1317 CG LYS A 78 11.714 9.131 -1.200 1.00 75.35 C ATOM 1318 CD LYS A 78 12.390 7.752 -1.044 1.00 72.15 C ATOM 1319 CE LYS A 78 12.160 6.849 -2.263 1.00 53.32 C ATOM 1320 NZ LYS A 78 12.562 7.495 -3.533 1.00 64.12 N ATOM 0 H LYS A 78 9.238 8.514 1.111 1.00 14.31 H new ATOM 0 HA LYS A 78 11.401 8.541 1.534 1.00 52.55 H new ATOM 0 HB2 LYS A 78 11.547 11.045 -0.215 1.00 44.15 H new ATOM 0 HB3 LYS A 78 12.926 10.097 0.304 1.00 44.15 H new ATOM 0 HG2 LYS A 78 10.653 8.986 -1.403 1.00 75.35 H new ATOM 0 HG3 LYS A 78 12.138 9.639 -2.066 1.00 75.35 H new ATOM 0 HD2 LYS A 78 13.461 7.890 -0.894 1.00 72.15 H new ATOM 0 HD3 LYS A 78 12.004 7.259 -0.152 1.00 72.15 H new ATOM 0 HE2 LYS A 78 12.722 5.924 -2.136 1.00 53.32 H new ATOM 0 HE3 LYS A 78 11.106 6.577 -2.316 1.00 53.32 H new ATOM 0 HZ1 LYS A 78 12.891 6.770 -4.202 1.00 64.12 H new ATOM 0 HZ2 LYS A 78 11.748 7.998 -3.940 1.00 64.12 H new ATOM 0 HZ3 LYS A 78 13.331 8.171 -3.350 1.00 64.12 H new ATOM 1334 N ASN A 79 10.346 10.605 3.395 1.00 65.01 N ATOM 1335 CA ASN A 79 10.463 11.371 4.656 1.00 53.20 C ATOM 1336 C ASN A 79 10.874 10.447 5.833 1.00 61.30 C ATOM 1337 O ASN A 79 10.170 10.332 6.848 1.00 62.13 O ATOM 1338 CB ASN A 79 9.126 12.101 4.956 1.00 54.33 C ATOM 1339 CG ASN A 79 8.713 13.099 3.871 1.00 73.23 C ATOM 1340 OD1 ASN A 79 9.548 13.685 3.190 1.00 71.12 O ATOM 1341 ND2 ASN A 79 7.422 13.311 3.716 1.00 53.33 N ATOM 0 H ASN A 79 9.411 10.231 3.233 1.00 65.01 H new ATOM 0 HA ASN A 79 11.248 12.118 4.540 1.00 53.20 H new ATOM 0 HB2 ASN A 79 8.336 11.359 5.075 1.00 54.33 H new ATOM 0 HB3 ASN A 79 9.215 12.627 5.906 1.00 54.33 H new ATOM 0 HD21 ASN A 79 7.095 13.977 3.016 1.00 53.33 H new ATOM 0 HD22 ASN A 79 6.750 12.810 4.296 1.00 53.33 H new ATOM 1348 N PHE A 80 12.063 9.820 5.703 1.00 25.21 N ATOM 1349 CA PHE A 80 12.624 8.895 6.732 1.00 34.14 C ATOM 1350 C PHE A 80 13.178 9.650 7.973 1.00 11.32 C ATOM 1351 O PHE A 80 13.677 9.022 8.912 1.00 24.43 O ATOM 1352 CB PHE A 80 13.744 8.020 6.116 1.00 22.21 C ATOM 1353 CG PHE A 80 13.308 7.243 4.872 1.00 43.31 C ATOM 1354 CD1 PHE A 80 12.556 6.072 4.980 1.00 41.05 C ATOM 1355 CD2 PHE A 80 13.654 7.683 3.595 1.00 25.35 C ATOM 1356 CE1 PHE A 80 12.160 5.379 3.848 1.00 2.31 C ATOM 1357 CE2 PHE A 80 13.259 6.988 2.471 1.00 3.33 C ATOM 1358 CZ PHE A 80 12.514 5.836 2.594 1.00 21.34 C ATOM 0 H PHE A 80 12.665 9.935 4.888 1.00 25.21 H new ATOM 0 HA PHE A 80 11.802 8.264 7.069 1.00 34.14 H new ATOM 0 HB2 PHE A 80 14.589 8.658 5.857 1.00 22.21 H new ATOM 0 HB3 PHE A 80 14.096 7.314 6.869 1.00 22.21 H new ATOM 0 HD1 PHE A 80 12.280 5.702 5.957 1.00 41.05 H new ATOM 0 HD2 PHE A 80 14.241 8.583 3.484 1.00 25.35 H new ATOM 0 HE1 PHE A 80 11.572 4.478 3.946 1.00 2.31 H new ATOM 0 HE2 PHE A 80 13.535 7.348 1.491 1.00 3.33 H new ATOM 0 HZ PHE A 80 12.208 5.292 1.713 1.00 21.34 H new ATOM 1368 N LYS A 81 13.057 10.991 7.952 1.00 25.12 N ATOM 1369 CA LYS A 81 13.499 11.913 9.024 1.00 21.05 C ATOM 1370 C LYS A 81 12.943 11.550 10.436 1.00 45.54 C ATOM 1371 O LYS A 81 13.563 11.880 11.452 1.00 50.40 O ATOM 1372 CB LYS A 81 13.068 13.356 8.628 1.00 23.05 C ATOM 1373 CG LYS A 81 11.533 13.562 8.510 1.00 14.21 C ATOM 1374 CD LYS A 81 11.111 14.897 7.828 1.00 73.23 C ATOM 1375 CE LYS A 81 11.654 16.177 8.522 1.00 33.12 C ATOM 1376 NZ LYS A 81 13.021 16.552 8.068 1.00 14.52 N ATOM 0 H LYS A 81 12.635 11.482 7.164 1.00 25.12 H new ATOM 0 HA LYS A 81 14.582 11.830 9.109 1.00 21.05 H new ATOM 0 HB2 LYS A 81 13.459 14.054 9.368 1.00 23.05 H new ATOM 0 HB3 LYS A 81 13.530 13.610 7.674 1.00 23.05 H new ATOM 0 HG2 LYS A 81 11.110 12.731 7.946 1.00 14.21 H new ATOM 0 HG3 LYS A 81 11.096 13.525 9.508 1.00 14.21 H new ATOM 0 HD2 LYS A 81 11.455 14.886 6.794 1.00 73.23 H new ATOM 0 HD3 LYS A 81 10.023 14.948 7.801 1.00 73.23 H new ATOM 0 HE2 LYS A 81 10.973 17.005 8.327 1.00 33.12 H new ATOM 0 HE3 LYS A 81 11.666 16.021 9.601 1.00 33.12 H new ATOM 0 HZ1 LYS A 81 13.148 17.580 8.160 1.00 14.52 H new ATOM 0 HZ2 LYS A 81 13.728 16.062 8.653 1.00 14.52 H new ATOM 0 HZ3 LYS A 81 13.144 16.276 7.073 1.00 14.52 H new ATOM 1390 N THR A 82 11.774 10.870 10.482 1.00 42.41 N ATOM 1391 CA THR A 82 11.101 10.486 11.752 1.00 5.15 C ATOM 1392 C THR A 82 10.740 8.974 11.785 1.00 31.32 C ATOM 1393 O THR A 82 10.796 8.343 12.849 1.00 73.54 O ATOM 1394 CB THR A 82 9.825 11.363 12.001 1.00 45.15 C ATOM 1395 OG1 THR A 82 9.144 10.940 13.199 1.00 4.31 O ATOM 1396 CG2 THR A 82 8.850 11.330 10.808 1.00 74.31 C ATOM 0 H THR A 82 11.270 10.572 9.647 1.00 42.41 H new ATOM 0 HA THR A 82 11.811 10.672 12.558 1.00 5.15 H new ATOM 0 HB THR A 82 10.168 12.391 12.121 1.00 45.15 H new ATOM 0 HG1 THR A 82 8.351 11.499 13.339 1.00 4.31 H new ATOM 0 HG21 THR A 82 7.983 11.952 11.029 1.00 74.31 H new ATOM 0 HG22 THR A 82 9.351 11.710 9.918 1.00 74.31 H new ATOM 0 HG23 THR A 82 8.525 10.305 10.632 1.00 74.31 H new ATOM 1404 N SER A 83 10.355 8.396 10.623 1.00 53.02 N ATOM 1405 CA SER A 83 10.105 6.934 10.488 1.00 31.45 C ATOM 1406 C SER A 83 11.116 6.307 9.501 1.00 24.30 C ATOM 1407 O SER A 83 10.952 6.441 8.281 1.00 72.44 O ATOM 1408 CB SER A 83 8.654 6.637 10.028 1.00 22.43 C ATOM 1409 OG SER A 83 7.709 7.038 11.008 1.00 22.23 O ATOM 0 H SER A 83 10.209 8.919 9.760 1.00 53.02 H new ATOM 0 HA SER A 83 10.238 6.486 11.473 1.00 31.45 H new ATOM 0 HB2 SER A 83 8.453 7.158 9.092 1.00 22.43 H new ATOM 0 HB3 SER A 83 8.544 5.571 9.829 1.00 22.43 H new ATOM 0 HG SER A 83 7.281 7.874 10.727 1.00 22.23 H new ATOM 1415 N PRO A 84 12.196 5.629 10.013 1.00 4.21 N ATOM 1416 CA PRO A 84 13.202 4.949 9.152 1.00 72.32 C ATOM 1417 C PRO A 84 12.644 3.669 8.468 1.00 73.42 C ATOM 1418 O PRO A 84 11.637 3.093 8.917 1.00 21.55 O ATOM 1419 CB PRO A 84 14.339 4.615 10.152 1.00 1.13 C ATOM 1420 CG PRO A 84 13.636 4.450 11.470 1.00 52.05 C ATOM 1421 CD PRO A 84 12.524 5.481 11.462 1.00 30.44 C ATOM 0 HA PRO A 84 13.524 5.570 8.316 1.00 72.32 H new ATOM 0 HB2 PRO A 84 14.866 3.705 9.866 1.00 1.13 H new ATOM 0 HB3 PRO A 84 15.080 5.413 10.193 1.00 1.13 H new ATOM 0 HG2 PRO A 84 13.237 3.442 11.579 1.00 52.05 H new ATOM 0 HG3 PRO A 84 14.319 4.615 12.303 1.00 52.05 H new ATOM 0 HD2 PRO A 84 11.661 5.145 12.037 1.00 30.44 H new ATOM 0 HD3 PRO A 84 12.849 6.425 11.898 1.00 30.44 H new ATOM 1429 N LEU A 85 13.316 3.229 7.387 1.00 40.50 N ATOM 1430 CA LEU A 85 12.894 2.048 6.609 1.00 33.40 C ATOM 1431 C LEU A 85 13.370 0.731 7.285 1.00 71.24 C ATOM 1432 O LEU A 85 14.574 0.565 7.516 1.00 14.12 O ATOM 1433 CB LEU A 85 13.446 2.125 5.161 1.00 24.01 C ATOM 1434 CG LEU A 85 12.895 1.038 4.185 1.00 1.31 C ATOM 1435 CD1 LEU A 85 11.363 1.189 3.988 1.00 31.21 C ATOM 1436 CD2 LEU A 85 13.649 1.049 2.836 1.00 42.41 C ATOM 0 H LEU A 85 14.160 3.678 7.031 1.00 40.50 H new ATOM 0 HA LEU A 85 11.805 2.045 6.576 1.00 33.40 H new ATOM 0 HB2 LEU A 85 13.215 3.109 4.752 1.00 24.01 H new ATOM 0 HB3 LEU A 85 14.532 2.042 5.198 1.00 24.01 H new ATOM 0 HG LEU A 85 13.073 0.064 4.641 1.00 1.31 H new ATOM 0 HD11 LEU A 85 11.007 0.419 3.304 1.00 31.21 H new ATOM 0 HD12 LEU A 85 10.860 1.081 4.949 1.00 31.21 H new ATOM 0 HD13 LEU A 85 11.145 2.173 3.573 1.00 31.21 H new ATOM 0 HD21 LEU A 85 13.238 0.279 2.183 1.00 42.41 H new ATOM 0 HD22 LEU A 85 13.535 2.025 2.363 1.00 42.41 H new ATOM 0 HD23 LEU A 85 14.707 0.851 3.009 1.00 42.41 H new ATOM 1448 N PRO A 86 12.433 -0.225 7.620 1.00 31.42 N ATOM 1449 CA PRO A 86 12.795 -1.547 8.187 1.00 62.43 C ATOM 1450 C PRO A 86 13.302 -2.551 7.112 1.00 10.51 C ATOM 1451 O PRO A 86 13.104 -2.349 5.906 1.00 10.51 O ATOM 1452 CB PRO A 86 11.464 -2.043 8.850 1.00 35.12 C ATOM 1453 CG PRO A 86 10.480 -0.912 8.689 1.00 1.11 C ATOM 1454 CD PRO A 86 10.964 -0.108 7.505 1.00 3.45 C ATOM 0 HA PRO A 86 13.625 -1.471 8.890 1.00 62.43 H new ATOM 0 HB2 PRO A 86 11.100 -2.950 8.367 1.00 35.12 H new ATOM 0 HB3 PRO A 86 11.617 -2.282 9.902 1.00 35.12 H new ATOM 0 HG2 PRO A 86 9.473 -1.292 8.518 1.00 1.11 H new ATOM 0 HG3 PRO A 86 10.440 -0.298 9.588 1.00 1.11 H new ATOM 0 HD2 PRO A 86 10.597 -0.513 6.562 1.00 3.45 H new ATOM 0 HD3 PRO A 86 10.634 0.930 7.556 1.00 3.45 H new ATOM 1462 N ASP A 87 13.924 -3.646 7.591 1.00 52.44 N ATOM 1463 CA ASP A 87 14.510 -4.715 6.739 1.00 13.34 C ATOM 1464 C ASP A 87 13.427 -5.468 5.921 1.00 21.53 C ATOM 1465 O ASP A 87 13.682 -5.926 4.800 1.00 22.02 O ATOM 1466 CB ASP A 87 15.300 -5.716 7.623 1.00 70.24 C ATOM 1467 CG ASP A 87 16.372 -5.026 8.479 1.00 32.25 C ATOM 1468 OD1 ASP A 87 17.482 -4.763 7.968 1.00 34.13 O ATOM 1469 OD2 ASP A 87 16.101 -4.723 9.663 1.00 74.23 O ATOM 0 H ASP A 87 14.038 -3.821 8.589 1.00 52.44 H new ATOM 0 HA ASP A 87 15.184 -4.239 6.027 1.00 13.34 H new ATOM 0 HB2 ASP A 87 14.606 -6.247 8.274 1.00 70.24 H new ATOM 0 HB3 ASP A 87 15.774 -6.463 6.986 1.00 70.24 H new ATOM 1474 N LYS A 88 12.220 -5.575 6.511 1.00 1.44 N ATOM 1475 CA LYS A 88 11.045 -6.225 5.884 1.00 34.23 C ATOM 1476 C LYS A 88 10.578 -5.506 4.583 1.00 5.25 C ATOM 1477 O LYS A 88 10.010 -6.147 3.697 1.00 34.31 O ATOM 1478 CB LYS A 88 9.876 -6.311 6.908 1.00 53.10 C ATOM 1479 CG LYS A 88 9.422 -4.949 7.486 1.00 54.41 C ATOM 1480 CD LYS A 88 8.274 -5.069 8.520 1.00 41.31 C ATOM 1481 CE LYS A 88 6.982 -5.646 7.916 1.00 51.25 C ATOM 1482 NZ LYS A 88 5.891 -5.726 8.913 1.00 51.12 N ATOM 0 H LYS A 88 12.028 -5.211 7.444 1.00 1.44 H new ATOM 0 HA LYS A 88 11.352 -7.229 5.592 1.00 34.23 H new ATOM 0 HB2 LYS A 88 9.023 -6.788 6.426 1.00 53.10 H new ATOM 0 HB3 LYS A 88 10.179 -6.957 7.732 1.00 53.10 H new ATOM 0 HG2 LYS A 88 10.275 -4.460 7.957 1.00 54.41 H new ATOM 0 HG3 LYS A 88 9.098 -4.306 6.668 1.00 54.41 H new ATOM 0 HD2 LYS A 88 8.599 -5.704 9.344 1.00 41.31 H new ATOM 0 HD3 LYS A 88 8.065 -4.085 8.939 1.00 41.31 H new ATOM 0 HE2 LYS A 88 6.664 -5.024 7.079 1.00 51.25 H new ATOM 0 HE3 LYS A 88 7.181 -6.640 7.516 1.00 51.25 H new ATOM 0 HZ1 LYS A 88 5.772 -6.713 9.219 1.00 51.12 H new ATOM 0 HZ2 LYS A 88 6.128 -5.135 9.735 1.00 51.12 H new ATOM 0 HZ3 LYS A 88 5.005 -5.387 8.486 1.00 51.12 H new ATOM 1496 N TRP A 89 10.802 -4.174 4.481 1.00 64.22 N ATOM 1497 CA TRP A 89 10.439 -3.383 3.267 1.00 33.33 C ATOM 1498 C TRP A 89 11.659 -3.054 2.390 1.00 72.33 C ATOM 1499 O TRP A 89 11.499 -2.716 1.214 1.00 62.11 O ATOM 1500 CB TRP A 89 9.669 -2.096 3.661 1.00 33.14 C ATOM 1501 CG TRP A 89 8.369 -2.409 4.364 1.00 74.10 C ATOM 1502 CD1 TRP A 89 8.055 -2.190 5.675 1.00 41.01 C ATOM 1503 CD2 TRP A 89 7.224 -3.056 3.784 1.00 54.01 C ATOM 1504 NE1 TRP A 89 6.798 -2.663 5.940 1.00 5.04 N ATOM 1505 CE2 TRP A 89 6.269 -3.198 4.798 1.00 2.23 C ATOM 1506 CE3 TRP A 89 6.920 -3.529 2.501 1.00 45.55 C ATOM 1507 CZ2 TRP A 89 5.036 -3.798 4.571 1.00 33.21 C ATOM 1508 CZ3 TRP A 89 5.694 -4.119 2.275 1.00 60.51 C ATOM 1509 CH2 TRP A 89 4.767 -4.253 3.309 1.00 42.02 C ATOM 0 H TRP A 89 11.232 -3.619 5.221 1.00 64.22 H new ATOM 0 HA TRP A 89 9.782 -4.009 2.663 1.00 33.33 H new ATOM 0 HB2 TRP A 89 10.294 -1.484 4.311 1.00 33.14 H new ATOM 0 HB3 TRP A 89 9.465 -1.507 2.767 1.00 33.14 H new ATOM 0 HD1 TRP A 89 8.703 -1.714 6.396 1.00 41.01 H new ATOM 0 HE1 TRP A 89 6.330 -2.623 6.846 1.00 5.04 H new ATOM 0 HE3 TRP A 89 7.637 -3.433 1.699 1.00 45.55 H new ATOM 0 HZ2 TRP A 89 4.313 -3.902 5.366 1.00 33.21 H new ATOM 0 HZ3 TRP A 89 5.449 -4.481 1.287 1.00 60.51 H new ATOM 0 HH2 TRP A 89 3.817 -4.726 3.109 1.00 42.02 H new ATOM 1520 N ALA A 90 12.870 -3.188 2.962 1.00 61.22 N ATOM 1521 CA ALA A 90 14.150 -3.006 2.228 1.00 71.33 C ATOM 1522 C ALA A 90 14.269 -3.952 0.997 1.00 25.34 C ATOM 1523 O ALA A 90 14.886 -3.603 -0.011 1.00 71.23 O ATOM 1524 CB ALA A 90 15.330 -3.239 3.184 1.00 24.31 C ATOM 0 H ALA A 90 12.996 -3.425 3.946 1.00 61.22 H new ATOM 0 HA ALA A 90 14.169 -1.984 1.851 1.00 71.33 H new ATOM 0 HB1 ALA A 90 16.267 -3.105 2.644 1.00 24.31 H new ATOM 0 HB2 ALA A 90 15.279 -2.525 4.006 1.00 24.31 H new ATOM 0 HB3 ALA A 90 15.282 -4.253 3.581 1.00 24.31 H new ATOM 1530 N ASN A 91 13.659 -5.147 1.105 1.00 63.41 N ATOM 1531 CA ASN A 91 13.701 -6.195 0.052 1.00 30.33 C ATOM 1532 C ASN A 91 12.415 -6.214 -0.826 1.00 52.40 C ATOM 1533 O ASN A 91 12.351 -6.949 -1.818 1.00 31.23 O ATOM 1534 CB ASN A 91 13.898 -7.574 0.735 1.00 13.13 C ATOM 1535 CG ASN A 91 15.186 -7.654 1.564 1.00 52.54 C ATOM 1536 OD1 ASN A 91 16.199 -7.051 1.224 1.00 43.40 O ATOM 1537 ND2 ASN A 91 15.153 -8.381 2.663 1.00 41.13 N ATOM 0 H ASN A 91 13.119 -5.420 1.926 1.00 63.41 H new ATOM 0 HA ASN A 91 14.532 -5.971 -0.617 1.00 30.33 H new ATOM 0 HB2 ASN A 91 13.044 -7.779 1.380 1.00 13.13 H new ATOM 0 HB3 ASN A 91 13.915 -8.352 -0.028 1.00 13.13 H new ATOM 0 HD21 ASN A 91 15.982 -8.452 3.253 1.00 41.13 H new ATOM 0 HD22 ASN A 91 14.298 -8.873 2.924 1.00 41.13 H new ATOM 1544 N SER A 92 11.409 -5.395 -0.467 1.00 70.22 N ATOM 1545 CA SER A 92 10.056 -5.448 -1.083 1.00 52.10 C ATOM 1546 C SER A 92 9.959 -4.666 -2.413 1.00 71.22 C ATOM 1547 O SER A 92 10.413 -3.522 -2.513 1.00 74.21 O ATOM 1548 CB SER A 92 9.010 -4.901 -0.091 1.00 45.11 C ATOM 1549 OG SER A 92 8.958 -5.701 1.075 1.00 74.42 O ATOM 0 H SER A 92 11.503 -4.679 0.254 1.00 70.22 H new ATOM 0 HA SER A 92 9.859 -6.495 -1.313 1.00 52.10 H new ATOM 0 HB2 SER A 92 9.259 -3.874 0.178 1.00 45.11 H new ATOM 0 HB3 SER A 92 8.029 -4.878 -0.566 1.00 45.11 H new ATOM 0 HG SER A 92 8.340 -5.299 1.720 1.00 74.42 H new ATOM 1555 N LYS A 93 9.343 -5.309 -3.420 1.00 45.23 N ATOM 1556 CA LYS A 93 9.024 -4.691 -4.729 1.00 3.03 C ATOM 1557 C LYS A 93 7.903 -3.636 -4.586 1.00 72.30 C ATOM 1558 O LYS A 93 7.963 -2.559 -5.186 1.00 32.44 O ATOM 1559 CB LYS A 93 8.588 -5.792 -5.724 1.00 25.13 C ATOM 1560 CG LYS A 93 8.335 -5.312 -7.169 1.00 44.05 C ATOM 1561 CD LYS A 93 7.919 -6.447 -8.140 1.00 42.50 C ATOM 1562 CE LYS A 93 9.018 -7.509 -8.392 1.00 74.25 C ATOM 1563 NZ LYS A 93 9.255 -8.419 -7.236 1.00 62.55 N ATOM 0 H LYS A 93 9.047 -6.283 -3.352 1.00 45.23 H new ATOM 0 HA LYS A 93 9.916 -4.188 -5.103 1.00 3.03 H new ATOM 0 HB2 LYS A 93 9.356 -6.565 -5.745 1.00 25.13 H new ATOM 0 HB3 LYS A 93 7.677 -6.258 -5.349 1.00 25.13 H new ATOM 0 HG2 LYS A 93 7.554 -4.551 -7.158 1.00 44.05 H new ATOM 0 HG3 LYS A 93 9.239 -4.836 -7.548 1.00 44.05 H new ATOM 0 HD2 LYS A 93 7.035 -6.944 -7.741 1.00 42.50 H new ATOM 0 HD3 LYS A 93 7.632 -6.005 -9.094 1.00 42.50 H new ATOM 0 HE2 LYS A 93 8.740 -8.106 -9.261 1.00 74.25 H new ATOM 0 HE3 LYS A 93 9.950 -7.001 -8.639 1.00 74.25 H new ATOM 0 HZ1 LYS A 93 10.152 -8.166 -6.773 1.00 62.55 H new ATOM 0 HZ2 LYS A 93 8.475 -8.325 -6.554 1.00 62.55 H new ATOM 0 HZ3 LYS A 93 9.304 -9.402 -7.572 1.00 62.55 H new ATOM 1577 N LEU A 94 6.890 -3.991 -3.770 1.00 14.54 N ATOM 1578 CA LEU A 94 5.717 -3.144 -3.455 1.00 2.12 C ATOM 1579 C LEU A 94 6.112 -1.731 -2.973 1.00 24.21 C ATOM 1580 O LEU A 94 5.489 -0.735 -3.366 1.00 33.31 O ATOM 1581 CB LEU A 94 4.881 -3.808 -2.342 1.00 14.13 C ATOM 1582 CG LEU A 94 3.647 -2.988 -1.855 1.00 53.44 C ATOM 1583 CD1 LEU A 94 2.503 -3.009 -2.892 1.00 25.14 C ATOM 1584 CD2 LEU A 94 3.198 -3.447 -0.462 1.00 63.41 C ATOM 0 H LEU A 94 6.862 -4.896 -3.300 1.00 14.54 H new ATOM 0 HA LEU A 94 5.148 -3.045 -4.379 1.00 2.12 H new ATOM 0 HB2 LEU A 94 4.534 -4.777 -2.700 1.00 14.13 H new ATOM 0 HB3 LEU A 94 5.530 -3.998 -1.487 1.00 14.13 H new ATOM 0 HG LEU A 94 3.948 -1.945 -1.761 1.00 53.44 H new ATOM 0 HD11 LEU A 94 1.661 -2.427 -2.517 1.00 25.14 H new ATOM 0 HD12 LEU A 94 2.854 -2.577 -3.829 1.00 25.14 H new ATOM 0 HD13 LEU A 94 2.186 -4.038 -3.063 1.00 25.14 H new ATOM 0 HD21 LEU A 94 2.336 -2.859 -0.146 1.00 63.41 H new ATOM 0 HD22 LEU A 94 2.925 -4.502 -0.497 1.00 63.41 H new ATOM 0 HD23 LEU A 94 4.013 -3.306 0.248 1.00 63.41 H new ATOM 1596 N LEU A 95 7.118 -1.677 -2.075 1.00 22.42 N ATOM 1597 CA LEU A 95 7.651 -0.408 -1.543 1.00 54.12 C ATOM 1598 C LEU A 95 8.061 0.538 -2.693 1.00 74.42 C ATOM 1599 O LEU A 95 7.668 1.697 -2.720 1.00 65.40 O ATOM 1600 CB LEU A 95 8.878 -0.666 -0.636 1.00 23.22 C ATOM 1601 CG LEU A 95 9.512 0.624 -0.022 1.00 61.41 C ATOM 1602 CD1 LEU A 95 8.581 1.271 1.027 1.00 21.50 C ATOM 1603 CD2 LEU A 95 10.914 0.356 0.542 1.00 22.41 C ATOM 0 H LEU A 95 7.580 -2.506 -1.701 1.00 22.42 H new ATOM 0 HA LEU A 95 6.862 0.061 -0.955 1.00 54.12 H new ATOM 0 HB2 LEU A 95 8.581 -1.331 0.175 1.00 23.22 H new ATOM 0 HB3 LEU A 95 9.639 -1.189 -1.215 1.00 23.22 H new ATOM 0 HG LEU A 95 9.630 1.344 -0.832 1.00 61.41 H new ATOM 0 HD11 LEU A 95 9.055 2.165 1.432 1.00 21.50 H new ATOM 0 HD12 LEU A 95 7.636 1.543 0.556 1.00 21.50 H new ATOM 0 HD13 LEU A 95 8.394 0.562 1.834 1.00 21.50 H new ATOM 0 HD21 LEU A 95 11.320 1.277 0.960 1.00 22.41 H new ATOM 0 HD22 LEU A 95 10.853 -0.401 1.324 1.00 22.41 H new ATOM 0 HD23 LEU A 95 11.566 0.001 -0.256 1.00 22.41 H new ATOM 1615 N LYS A 96 8.816 -0.021 -3.652 1.00 3.32 N ATOM 1616 CA LYS A 96 9.327 0.712 -4.828 1.00 73.33 C ATOM 1617 C LYS A 96 8.169 1.200 -5.734 1.00 21.11 C ATOM 1618 O LYS A 96 8.226 2.309 -6.267 1.00 73.53 O ATOM 1619 CB LYS A 96 10.300 -0.204 -5.614 1.00 4.54 C ATOM 1620 CG LYS A 96 11.478 -0.739 -4.763 1.00 5.13 C ATOM 1621 CD LYS A 96 12.340 -1.770 -5.527 1.00 71.42 C ATOM 1622 CE LYS A 96 13.485 -2.343 -4.672 1.00 21.35 C ATOM 1623 NZ LYS A 96 12.987 -3.015 -3.442 1.00 12.43 N ATOM 0 H LYS A 96 9.093 -1.003 -3.636 1.00 3.32 H new ATOM 0 HA LYS A 96 9.862 1.599 -4.489 1.00 73.33 H new ATOM 0 HB2 LYS A 96 9.742 -1.049 -6.018 1.00 4.54 H new ATOM 0 HB3 LYS A 96 10.700 0.350 -6.464 1.00 4.54 H new ATOM 0 HG2 LYS A 96 12.106 0.096 -4.452 1.00 5.13 H new ATOM 0 HG3 LYS A 96 11.087 -1.199 -3.855 1.00 5.13 H new ATOM 0 HD2 LYS A 96 11.704 -2.587 -5.868 1.00 71.42 H new ATOM 0 HD3 LYS A 96 12.758 -1.299 -6.417 1.00 71.42 H new ATOM 0 HE2 LYS A 96 14.058 -3.055 -5.266 1.00 21.35 H new ATOM 0 HE3 LYS A 96 14.166 -1.539 -4.394 1.00 21.35 H new ATOM 0 HZ1 LYS A 96 13.228 -2.439 -2.610 1.00 12.43 H new ATOM 0 HZ2 LYS A 96 11.954 -3.125 -3.500 1.00 12.43 H new ATOM 0 HZ3 LYS A 96 13.430 -3.952 -3.355 1.00 12.43 H new ATOM 1637 N GLN A 97 7.112 0.366 -5.860 1.00 24.11 N ATOM 1638 CA GLN A 97 5.862 0.714 -6.591 1.00 70.34 C ATOM 1639 C GLN A 97 5.178 1.959 -5.962 1.00 0.43 C ATOM 1640 O GLN A 97 4.740 2.878 -6.667 1.00 31.21 O ATOM 1641 CB GLN A 97 4.867 -0.493 -6.559 1.00 1.35 C ATOM 1642 CG GLN A 97 5.389 -1.822 -7.169 1.00 33.55 C ATOM 1643 CD GLN A 97 5.412 -1.872 -8.705 1.00 74.23 C ATOM 1644 OE1 GLN A 97 5.560 -0.863 -9.389 1.00 3.54 O ATOM 1645 NE2 GLN A 97 5.289 -3.066 -9.263 1.00 52.35 N ATOM 0 H GLN A 97 7.097 -0.571 -5.458 1.00 24.11 H new ATOM 0 HA GLN A 97 6.129 0.943 -7.623 1.00 70.34 H new ATOM 0 HB2 GLN A 97 4.585 -0.678 -5.523 1.00 1.35 H new ATOM 0 HB3 GLN A 97 3.960 -0.204 -7.090 1.00 1.35 H new ATOM 0 HG2 GLN A 97 6.399 -2.000 -6.800 1.00 33.55 H new ATOM 0 HG3 GLN A 97 4.767 -2.640 -6.804 1.00 33.55 H new ATOM 0 HE21 GLN A 97 5.167 -3.892 -8.678 1.00 52.35 H new ATOM 0 HE22 GLN A 97 5.316 -3.160 -10.278 1.00 52.35 H new ATOM 1654 N LEU A 98 5.117 1.964 -4.615 1.00 11.12 N ATOM 1655 CA LEU A 98 4.459 3.027 -3.819 1.00 72.51 C ATOM 1656 C LEU A 98 5.290 4.333 -3.808 1.00 11.30 C ATOM 1657 O LEU A 98 4.730 5.424 -3.768 1.00 52.33 O ATOM 1658 CB LEU A 98 4.206 2.516 -2.372 1.00 3.51 C ATOM 1659 CG LEU A 98 3.432 3.487 -1.415 1.00 21.21 C ATOM 1660 CD1 LEU A 98 2.028 3.842 -1.955 1.00 3.44 C ATOM 1661 CD2 LEU A 98 3.360 2.917 0.018 1.00 2.41 C ATOM 0 H LEU A 98 5.525 1.226 -4.042 1.00 11.12 H new ATOM 0 HA LEU A 98 3.503 3.263 -4.287 1.00 72.51 H new ATOM 0 HB2 LEU A 98 3.650 1.581 -2.432 1.00 3.51 H new ATOM 0 HB3 LEU A 98 5.170 2.285 -1.918 1.00 3.51 H new ATOM 0 HG LEU A 98 3.998 4.418 -1.376 1.00 21.21 H new ATOM 0 HD11 LEU A 98 1.530 4.517 -1.258 1.00 3.44 H new ATOM 0 HD12 LEU A 98 2.124 4.329 -2.926 1.00 3.44 H new ATOM 0 HD13 LEU A 98 1.438 2.931 -2.062 1.00 3.44 H new ATOM 0 HD21 LEU A 98 2.818 3.612 0.659 1.00 2.41 H new ATOM 0 HD22 LEU A 98 2.842 1.958 0.003 1.00 2.41 H new ATOM 0 HD23 LEU A 98 4.369 2.778 0.405 1.00 2.41 H new ATOM 1673 N GLN A 99 6.623 4.198 -3.841 1.00 70.42 N ATOM 1674 CA GLN A 99 7.563 5.344 -3.930 1.00 24.40 C ATOM 1675 C GLN A 99 7.449 6.061 -5.299 1.00 52.53 C ATOM 1676 O GLN A 99 7.479 7.293 -5.363 1.00 64.13 O ATOM 1677 CB GLN A 99 9.011 4.853 -3.661 1.00 60.31 C ATOM 1678 CG GLN A 99 9.236 4.369 -2.207 1.00 52.22 C ATOM 1679 CD GLN A 99 10.583 3.676 -1.969 1.00 65.12 C ATOM 1680 OE1 GLN A 99 11.133 3.028 -2.854 1.00 0.43 O ATOM 1681 NE2 GLN A 99 11.124 3.802 -0.768 1.00 10.41 N ATOM 0 H GLN A 99 7.090 3.292 -3.807 1.00 70.42 H new ATOM 0 HA GLN A 99 7.298 6.077 -3.168 1.00 24.40 H new ATOM 0 HB2 GLN A 99 9.244 4.039 -4.347 1.00 60.31 H new ATOM 0 HB3 GLN A 99 9.708 5.663 -3.879 1.00 60.31 H new ATOM 0 HG2 GLN A 99 9.159 5.225 -1.536 1.00 52.22 H new ATOM 0 HG3 GLN A 99 8.435 3.680 -1.939 1.00 52.22 H new ATOM 0 HE21 GLN A 99 10.648 4.346 -0.049 1.00 10.41 H new ATOM 0 HE22 GLN A 99 12.017 3.355 -0.562 1.00 10.41 H new ATOM 1690 N GLU A 100 7.290 5.272 -6.383 1.00 13.35 N ATOM 1691 CA GLU A 100 7.064 5.813 -7.749 1.00 2.31 C ATOM 1692 C GLU A 100 5.694 6.510 -7.867 1.00 4.14 C ATOM 1693 O GLU A 100 5.565 7.522 -8.561 1.00 24.23 O ATOM 1694 CB GLU A 100 7.182 4.698 -8.824 1.00 52.43 C ATOM 1695 CG GLU A 100 8.568 4.031 -8.904 1.00 43.50 C ATOM 1696 CD GLU A 100 9.714 5.015 -9.218 1.00 24.10 C ATOM 1697 OE1 GLU A 100 9.955 5.300 -10.409 1.00 62.31 O ATOM 1698 OE2 GLU A 100 10.375 5.508 -8.273 1.00 22.13 O ATOM 0 H GLU A 100 7.313 4.253 -6.342 1.00 13.35 H new ATOM 0 HA GLU A 100 7.843 6.555 -7.926 1.00 2.31 H new ATOM 0 HB2 GLU A 100 6.435 3.931 -8.617 1.00 52.43 H new ATOM 0 HB3 GLU A 100 6.941 5.123 -9.798 1.00 52.43 H new ATOM 0 HG2 GLU A 100 8.777 3.534 -7.957 1.00 43.50 H new ATOM 0 HG3 GLU A 100 8.545 3.257 -9.671 1.00 43.50 H new ATOM 1705 N PHE A 101 4.672 5.952 -7.191 1.00 20.53 N ATOM 1706 CA PHE A 101 3.312 6.531 -7.204 1.00 42.21 C ATOM 1707 C PHE A 101 3.249 7.853 -6.397 1.00 1.04 C ATOM 1708 O PHE A 101 2.913 8.889 -6.946 1.00 30.25 O ATOM 1709 CB PHE A 101 2.279 5.514 -6.643 1.00 61.41 C ATOM 1710 CG PHE A 101 0.836 6.042 -6.617 1.00 44.52 C ATOM 1711 CD1 PHE A 101 0.081 6.120 -7.791 1.00 50.00 C ATOM 1712 CD2 PHE A 101 0.246 6.491 -5.427 1.00 64.43 C ATOM 1713 CE1 PHE A 101 -1.209 6.623 -7.776 1.00 74.11 C ATOM 1714 CE2 PHE A 101 -1.041 7.000 -5.418 1.00 24.33 C ATOM 1715 CZ PHE A 101 -1.768 7.063 -6.592 1.00 53.25 C ATOM 0 H PHE A 101 4.760 5.104 -6.631 1.00 20.53 H new ATOM 0 HA PHE A 101 3.062 6.756 -8.241 1.00 42.21 H new ATOM 0 HB2 PHE A 101 2.313 4.607 -7.246 1.00 61.41 H new ATOM 0 HB3 PHE A 101 2.572 5.235 -5.631 1.00 61.41 H new ATOM 0 HD1 PHE A 101 0.510 5.783 -8.723 1.00 50.00 H new ATOM 0 HD2 PHE A 101 0.804 6.439 -4.504 1.00 64.43 H new ATOM 0 HE1 PHE A 101 -1.779 6.671 -8.692 1.00 74.11 H new ATOM 0 HE2 PHE A 101 -1.477 7.348 -4.493 1.00 24.33 H new ATOM 0 HZ PHE A 101 -2.774 7.457 -6.583 1.00 53.25 H new ATOM 1725 N SER A 102 3.649 7.795 -5.115 1.00 74.02 N ATOM 1726 CA SER A 102 3.443 8.891 -4.122 1.00 24.13 C ATOM 1727 C SER A 102 4.095 10.222 -4.543 1.00 13.34 C ATOM 1728 O SER A 102 3.481 11.293 -4.445 1.00 53.23 O ATOM 1729 CB SER A 102 4.011 8.466 -2.757 1.00 24.54 C ATOM 1730 OG SER A 102 5.399 8.186 -2.855 1.00 33.21 O ATOM 0 H SER A 102 4.129 6.984 -4.725 1.00 74.02 H new ATOM 0 HA SER A 102 2.368 9.060 -4.063 1.00 24.13 H new ATOM 0 HB2 SER A 102 3.846 9.258 -2.026 1.00 24.54 H new ATOM 0 HB3 SER A 102 3.482 7.584 -2.396 1.00 24.54 H new ATOM 0 HG SER A 102 5.526 7.274 -3.190 1.00 33.21 H new ATOM 1736 N GLU A 103 5.342 10.128 -5.010 1.00 72.33 N ATOM 1737 CA GLU A 103 6.145 11.294 -5.419 1.00 35.10 C ATOM 1738 C GLU A 103 5.669 11.883 -6.777 1.00 20.34 C ATOM 1739 O GLU A 103 5.859 13.074 -7.043 1.00 34.11 O ATOM 1740 CB GLU A 103 7.643 10.884 -5.475 1.00 53.22 C ATOM 1741 CG GLU A 103 8.186 10.327 -4.136 1.00 1.21 C ATOM 1742 CD GLU A 103 9.684 9.977 -4.175 1.00 23.01 C ATOM 1743 OE1 GLU A 103 10.520 10.894 -4.033 1.00 44.45 O ATOM 1744 OE2 GLU A 103 10.043 8.793 -4.371 1.00 55.13 O ATOM 0 H GLU A 103 5.830 9.239 -5.117 1.00 72.33 H new ATOM 0 HA GLU A 103 6.013 12.085 -4.680 1.00 35.10 H new ATOM 0 HB2 GLU A 103 7.776 10.131 -6.252 1.00 53.22 H new ATOM 0 HB3 GLU A 103 8.237 11.750 -5.766 1.00 53.22 H new ATOM 0 HG2 GLU A 103 8.014 11.062 -3.350 1.00 1.21 H new ATOM 0 HG3 GLU A 103 7.620 9.435 -3.867 1.00 1.21 H new ATOM 1751 N ASN A 104 5.037 11.039 -7.627 1.00 71.11 N ATOM 1752 CA ASN A 104 4.640 11.420 -9.015 1.00 60.04 C ATOM 1753 C ASN A 104 3.102 11.376 -9.267 1.00 51.35 C ATOM 1754 O ASN A 104 2.668 11.498 -10.419 1.00 53.00 O ATOM 1755 CB ASN A 104 5.377 10.504 -10.029 1.00 34.24 C ATOM 1756 CG ASN A 104 6.901 10.594 -9.903 1.00 4.12 C ATOM 1757 OD1 ASN A 104 7.542 11.424 -10.535 1.00 14.32 O ATOM 1758 ND2 ASN A 104 7.488 9.760 -9.066 1.00 64.24 N ATOM 0 H ASN A 104 4.787 10.082 -7.378 1.00 71.11 H new ATOM 0 HA ASN A 104 4.933 12.461 -9.152 1.00 60.04 H new ATOM 0 HB2 ASN A 104 5.064 9.471 -9.875 1.00 34.24 H new ATOM 0 HB3 ASN A 104 5.083 10.779 -11.042 1.00 34.24 H new ATOM 0 HD21 ASN A 104 8.499 9.798 -8.934 1.00 64.24 H new ATOM 0 HD22 ASN A 104 6.931 9.078 -8.551 1.00 64.24 H new