USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 627 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 Single : A 24 CYS SG : rot 180:sc= -0.299 USER MOD Single : A 26 GLN : amide:sc= 0.867 K(o=0.87,f=-0.42) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 0.864 (180deg=0.67) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= -0.0531 (180deg=-0.182) USER MOD Single : A 34 SER OG : rot -78:sc= 1.02 USER MOD Single : A 35 SER OG : rot 94:sc= 1.29 USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= 1.28 (180deg=1.07) USER MOD Single : A 40 THR OG1 : rot -160:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= 1.15 (180deg=0.475) USER MOD Single : A 54 SER OG : rot -31:sc= 0.339 USER MOD Single : A 61 SER OG : rot 86:sc= 0.9 USER MOD Single : A 62 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.03) USER MOD Single : A 63 ASN : amide:sc= -0.0434 X(o=-0.043,f=-0.094) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 77 ASN : amide:sc= -1.42 K(o=-1.4,f=0) USER MOD Single : A 78 THR OG1 : rot 76:sc= 0.991 USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= -0.0111 (180deg=-0.118) USER MOD Single : A 85 GLN : amide:sc= 0.0872 X(o=0.087,f=-0.031) USER MOD Single : A 86 ASN : amide:sc= 0.124 X(o=0.12,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot -150:sc= -0.118 USER MOD Single : A 92 MET CE :methyl -131:sc= -0.16 (180deg=-1.27) USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 0.0948 (180deg=0.0673) USER MOD Single : A 94 CYS SG : rot -120:sc= 0.195 USER MOD Single : A 95 HIS : no HD1:sc= -0.495 K(o=-0.49,f=-1.4) USER MOD Single : A 96 THR OG1 : rot -86:sc= 1.68 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -178:sc= 1.17 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 358 N CYS A 24 2.309 15.768 -26.684 1.00 1.24 N ATOM 359 CA CYS A 24 1.012 16.264 -27.114 1.00 0.95 C ATOM 360 C CYS A 24 0.230 15.135 -27.775 1.00 0.84 C ATOM 361 O CYS A 24 0.820 14.129 -28.180 1.00 0.77 O ATOM 362 CB CYS A 24 1.206 17.435 -28.090 1.00 0.99 C ATOM 363 SG CYS A 24 -0.324 18.148 -28.744 1.00 1.71 S ATOM 0 HA CYS A 24 0.448 16.621 -26.252 1.00 0.95 H new ATOM 0 HB2 CYS A 24 1.768 18.220 -27.584 1.00 0.99 H new ATOM 0 HB3 CYS A 24 1.817 17.094 -28.926 1.00 0.99 H new ATOM 0 HG CYS A 24 -0.037 19.126 -29.551 1.00 1.71 H new ATOM 369 N ILE A 25 -1.087 15.293 -27.871 1.00 0.89 N ATOM 370 CA ILE A 25 -1.927 14.314 -28.553 1.00 0.88 C ATOM 371 C ILE A 25 -1.451 14.119 -29.996 1.00 0.74 C ATOM 372 O ILE A 25 -1.463 13.006 -30.520 1.00 0.71 O ATOM 373 CB ILE A 25 -3.423 14.728 -28.531 1.00 1.05 C ATOM 374 CG1 ILE A 25 -4.298 13.650 -29.181 1.00 1.11 C ATOM 375 CG2 ILE A 25 -3.636 16.073 -29.217 1.00 1.09 C ATOM 376 CD1 ILE A 25 -4.303 12.331 -28.433 1.00 1.37 C ATOM 0 H ILE A 25 -1.595 16.089 -27.485 1.00 0.89 H new ATOM 0 HA ILE A 25 -1.837 13.370 -28.016 1.00 0.88 H new ATOM 0 HB ILE A 25 -3.721 14.831 -27.487 1.00 1.05 H new ATOM 0 HG12 ILE A 25 -5.321 14.020 -29.252 1.00 1.11 H new ATOM 0 HG13 ILE A 25 -3.949 13.478 -30.199 1.00 1.11 H new ATOM 0 HG21 ILE A 25 -4.694 16.334 -29.185 1.00 1.09 H new ATOM 0 HG22 ILE A 25 -3.057 16.840 -28.702 1.00 1.09 H new ATOM 0 HG23 ILE A 25 -3.310 16.008 -30.255 1.00 1.09 H new ATOM 0 HD11 ILE A 25 -4.944 11.620 -28.954 1.00 1.37 H new ATOM 0 HD12 ILE A 25 -3.288 11.937 -28.384 1.00 1.37 H new ATOM 0 HD13 ILE A 25 -4.681 12.487 -27.423 1.00 1.37 H new ATOM 388 N GLN A 26 -0.991 15.208 -30.607 1.00 0.69 N ATOM 389 CA GLN A 26 -0.428 15.166 -31.951 1.00 0.64 C ATOM 390 C GLN A 26 0.760 14.209 -32.004 1.00 0.56 C ATOM 391 O GLN A 26 0.858 13.374 -32.903 1.00 0.59 O ATOM 392 CB GLN A 26 0.008 16.570 -32.375 1.00 0.70 C ATOM 393 CG GLN A 26 0.754 16.606 -33.697 1.00 0.80 C ATOM 394 CD GLN A 26 1.284 17.985 -34.035 1.00 1.23 C ATOM 395 OE1 GLN A 26 0.680 19.001 -33.691 1.00 1.75 O ATOM 396 NE2 GLN A 26 2.435 18.025 -34.683 1.00 1.54 N ATOM 0 H GLN A 26 -0.998 16.137 -30.187 1.00 0.69 H new ATOM 0 HA GLN A 26 -1.192 14.805 -32.640 1.00 0.64 H new ATOM 0 HB2 GLN A 26 -0.873 17.208 -32.448 1.00 0.70 H new ATOM 0 HB3 GLN A 26 0.644 16.993 -31.598 1.00 0.70 H new ATOM 0 HG2 GLN A 26 1.585 15.902 -33.659 1.00 0.80 H new ATOM 0 HG3 GLN A 26 0.089 16.272 -34.493 1.00 0.80 H new ATOM 0 HE21 GLN A 26 2.901 17.157 -34.949 1.00 1.54 H new ATOM 0 HE22 GLN A 26 2.857 18.923 -34.917 1.00 1.54 H new ATOM 405 N LYS A 27 1.642 14.323 -31.013 1.00 0.56 N ATOM 406 CA LYS A 27 2.841 13.494 -30.941 1.00 0.60 C ATOM 407 C LYS A 27 2.471 12.014 -30.926 1.00 0.58 C ATOM 408 O LYS A 27 3.092 11.207 -31.618 1.00 0.58 O ATOM 409 CB LYS A 27 3.652 13.845 -29.687 1.00 0.75 C ATOM 410 CG LYS A 27 4.964 13.077 -29.546 1.00 1.27 C ATOM 411 CD LYS A 27 6.093 13.685 -30.377 1.00 1.53 C ATOM 412 CE LYS A 27 5.913 13.451 -31.870 1.00 1.93 C ATOM 413 NZ LYS A 27 6.079 12.021 -32.241 1.00 2.50 N ATOM 0 H LYS A 27 1.546 14.987 -30.244 1.00 0.56 H new ATOM 0 HA LYS A 27 3.449 13.691 -31.824 1.00 0.60 H new ATOM 0 HB2 LYS A 27 3.870 14.913 -29.698 1.00 0.75 H new ATOM 0 HB3 LYS A 27 3.038 13.654 -28.807 1.00 0.75 H new ATOM 0 HG2 LYS A 27 5.259 13.059 -28.497 1.00 1.27 H new ATOM 0 HG3 LYS A 27 4.810 12.042 -29.852 1.00 1.27 H new ATOM 0 HD2 LYS A 27 6.144 14.757 -30.185 1.00 1.53 H new ATOM 0 HD3 LYS A 27 7.044 13.258 -30.058 1.00 1.53 H new ATOM 0 HE2 LYS A 27 4.922 13.790 -32.172 1.00 1.93 H new ATOM 0 HE3 LYS A 27 6.637 14.053 -32.420 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 5.865 11.897 -33.251 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 7.059 11.726 -32.056 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 5.430 11.438 -31.675 1.00 2.50 H new ATOM 427 N VAL A 28 1.443 11.677 -30.151 1.00 0.62 N ATOM 428 CA VAL A 28 0.974 10.299 -30.039 1.00 0.68 C ATOM 429 C VAL A 28 0.561 9.757 -31.404 1.00 0.62 C ATOM 430 O VAL A 28 0.994 8.676 -31.812 1.00 0.62 O ATOM 431 CB VAL A 28 -0.217 10.187 -29.061 1.00 0.77 C ATOM 432 CG1 VAL A 28 -0.670 8.740 -28.923 1.00 1.03 C ATOM 433 CG2 VAL A 28 0.151 10.768 -27.702 1.00 1.04 C ATOM 0 H VAL A 28 0.916 12.345 -29.588 1.00 0.62 H new ATOM 0 HA VAL A 28 1.802 9.706 -29.650 1.00 0.68 H new ATOM 0 HB VAL A 28 -1.048 10.764 -29.468 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -1.509 8.686 -28.230 1.00 1.03 H new ATOM 0 HG12 VAL A 28 -0.979 8.361 -29.897 1.00 1.03 H new ATOM 0 HG13 VAL A 28 0.154 8.136 -28.543 1.00 1.03 H new ATOM 0 HG21 VAL A 28 -0.700 10.680 -27.026 1.00 1.04 H new ATOM 0 HG22 VAL A 28 0.999 10.221 -27.290 1.00 1.04 H new ATOM 0 HG23 VAL A 28 0.417 11.819 -27.816 1.00 1.04 H new ATOM 443 N ILE A 29 -0.264 10.525 -32.108 1.00 0.60 N ATOM 444 CA ILE A 29 -0.710 10.154 -33.446 1.00 0.57 C ATOM 445 C ILE A 29 0.490 9.985 -34.375 1.00 0.52 C ATOM 446 O ILE A 29 0.596 8.990 -35.094 1.00 0.51 O ATOM 447 CB ILE A 29 -1.711 11.196 -34.023 1.00 0.62 C ATOM 448 CG1 ILE A 29 -3.138 10.903 -33.538 1.00 0.75 C ATOM 449 CG2 ILE A 29 -1.671 11.226 -35.548 1.00 0.67 C ATOM 450 CD1 ILE A 29 -3.326 10.998 -32.039 1.00 0.79 C ATOM 0 H ILE A 29 -0.639 11.412 -31.772 1.00 0.60 H new ATOM 0 HA ILE A 29 -1.235 9.201 -33.374 1.00 0.57 H new ATOM 0 HB ILE A 29 -1.408 12.177 -33.658 1.00 0.62 H new ATOM 0 HG12 ILE A 29 -3.822 11.600 -34.022 1.00 0.75 H new ATOM 0 HG13 ILE A 29 -3.420 9.902 -33.864 1.00 0.75 H new ATOM 0 HG21 ILE A 29 -2.383 11.965 -35.916 1.00 0.67 H new ATOM 0 HG22 ILE A 29 -0.668 11.492 -35.880 1.00 0.67 H new ATOM 0 HG23 ILE A 29 -1.934 10.243 -35.938 1.00 0.67 H new ATOM 0 HD11 ILE A 29 -4.363 10.776 -31.788 1.00 0.79 H new ATOM 0 HD12 ILE A 29 -2.671 10.281 -31.544 1.00 0.79 H new ATOM 0 HD13 ILE A 29 -3.080 12.006 -31.705 1.00 0.79 H new ATOM 462 N GLU A 30 1.413 10.943 -34.320 1.00 0.53 N ATOM 463 CA GLU A 30 2.631 10.881 -35.119 1.00 0.55 C ATOM 464 C GLU A 30 3.361 9.561 -34.902 1.00 0.55 C ATOM 465 O GLU A 30 3.711 8.873 -35.858 1.00 0.58 O ATOM 466 CB GLU A 30 3.572 12.028 -34.766 1.00 0.64 C ATOM 467 CG GLU A 30 3.080 13.404 -35.170 1.00 0.99 C ATOM 468 CD GLU A 30 4.100 14.466 -34.833 1.00 1.49 C ATOM 469 OE1 GLU A 30 5.306 14.151 -34.891 1.00 1.84 O ATOM 470 OE2 GLU A 30 3.710 15.605 -34.505 1.00 2.20 O ATOM 0 H GLU A 30 1.339 11.771 -33.729 1.00 0.53 H new ATOM 0 HA GLU A 30 2.335 10.962 -36.165 1.00 0.55 H new ATOM 0 HB2 GLU A 30 3.743 12.021 -33.689 1.00 0.64 H new ATOM 0 HB3 GLU A 30 4.536 11.848 -35.243 1.00 0.64 H new ATOM 0 HG2 GLU A 30 2.873 13.420 -36.240 1.00 0.99 H new ATOM 0 HG3 GLU A 30 2.141 13.622 -34.661 1.00 0.99 H new ATOM 477 N ASP A 31 3.576 9.209 -33.637 1.00 0.57 N ATOM 478 CA ASP A 31 4.328 8.008 -33.285 1.00 0.64 C ATOM 479 C ASP A 31 3.676 6.749 -33.838 1.00 0.57 C ATOM 480 O ASP A 31 4.368 5.807 -34.223 1.00 0.61 O ATOM 481 CB ASP A 31 4.484 7.886 -31.766 1.00 0.80 C ATOM 482 CG ASP A 31 5.648 8.695 -31.230 1.00 1.05 C ATOM 483 OD1 ASP A 31 6.784 8.173 -31.224 1.00 1.17 O ATOM 484 OD2 ASP A 31 5.445 9.855 -30.819 1.00 1.67 O ATOM 0 H ASP A 31 3.238 9.741 -32.835 1.00 0.57 H new ATOM 0 HA ASP A 31 5.314 8.107 -33.739 1.00 0.64 H new ATOM 0 HB2 ASP A 31 3.564 8.216 -31.283 1.00 0.80 H new ATOM 0 HB3 ASP A 31 4.624 6.838 -31.502 1.00 0.80 H new ATOM 489 N LYS A 32 2.352 6.738 -33.901 1.00 0.53 N ATOM 490 CA LYS A 32 1.637 5.563 -34.377 1.00 0.55 C ATOM 491 C LYS A 32 1.821 5.380 -35.881 1.00 0.48 C ATOM 492 O LYS A 32 2.302 4.338 -36.332 1.00 0.52 O ATOM 493 CB LYS A 32 0.146 5.655 -34.035 1.00 0.67 C ATOM 494 CG LYS A 32 -0.132 5.856 -32.551 1.00 0.97 C ATOM 495 CD LYS A 32 0.575 4.813 -31.699 1.00 1.09 C ATOM 496 CE LYS A 32 0.042 3.412 -31.950 1.00 1.51 C ATOM 497 NZ LYS A 32 -1.378 3.269 -31.529 1.00 2.03 N ATOM 0 H LYS A 32 1.756 7.521 -33.631 1.00 0.53 H new ATOM 0 HA LYS A 32 2.057 4.694 -33.871 1.00 0.55 H new ATOM 0 HB2 LYS A 32 -0.295 6.481 -34.593 1.00 0.67 H new ATOM 0 HB3 LYS A 32 -0.351 4.744 -34.368 1.00 0.67 H new ATOM 0 HG2 LYS A 32 0.194 6.852 -32.252 1.00 0.97 H new ATOM 0 HG3 LYS A 32 -1.206 5.805 -32.372 1.00 0.97 H new ATOM 0 HD2 LYS A 32 1.644 4.837 -31.911 1.00 1.09 H new ATOM 0 HD3 LYS A 32 0.453 5.063 -30.645 1.00 1.09 H new ATOM 0 HE2 LYS A 32 0.131 3.176 -33.010 1.00 1.51 H new ATOM 0 HE3 LYS A 32 0.654 2.690 -31.410 1.00 1.51 H new ATOM 0 HZ1 LYS A 32 -1.649 2.265 -31.558 1.00 2.03 H new ATOM 0 HZ2 LYS A 32 -1.491 3.630 -30.560 1.00 2.03 H new ATOM 0 HZ3 LYS A 32 -1.988 3.811 -32.174 1.00 2.03 H new ATOM 511 N LEU A 33 1.483 6.405 -36.653 1.00 0.44 N ATOM 512 CA LEU A 33 1.555 6.305 -38.106 1.00 0.44 C ATOM 513 C LEU A 33 3.000 6.234 -38.602 1.00 0.46 C ATOM 514 O LEU A 33 3.274 5.626 -39.638 1.00 0.51 O ATOM 515 CB LEU A 33 0.788 7.460 -38.776 1.00 0.47 C ATOM 516 CG LEU A 33 1.166 8.885 -38.345 1.00 0.48 C ATOM 517 CD1 LEU A 33 2.419 9.370 -39.061 1.00 0.57 C ATOM 518 CD2 LEU A 33 0.008 9.832 -38.610 1.00 0.55 C ATOM 0 H LEU A 33 1.159 7.307 -36.303 1.00 0.44 H new ATOM 0 HA LEU A 33 1.074 5.370 -38.393 1.00 0.44 H new ATOM 0 HB2 LEU A 33 0.930 7.382 -39.854 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -0.276 7.318 -38.584 1.00 0.47 H new ATOM 0 HG LEU A 33 1.380 8.869 -37.276 1.00 0.48 H new ATOM 0 HD11 LEU A 33 2.657 10.381 -38.732 1.00 0.57 H new ATOM 0 HD12 LEU A 33 3.252 8.707 -38.827 1.00 0.57 H new ATOM 0 HD13 LEU A 33 2.246 9.370 -40.137 1.00 0.57 H new ATOM 0 HD21 LEU A 33 0.285 10.840 -38.301 1.00 0.55 H new ATOM 0 HD22 LEU A 33 -0.227 9.830 -39.674 1.00 0.55 H new ATOM 0 HD23 LEU A 33 -0.865 9.506 -38.045 1.00 0.55 H new ATOM 530 N SER A 34 3.930 6.826 -37.859 1.00 0.47 N ATOM 531 CA SER A 34 5.332 6.809 -38.261 1.00 0.53 C ATOM 532 C SER A 34 5.933 5.419 -38.079 1.00 0.54 C ATOM 533 O SER A 34 6.790 5.002 -38.852 1.00 0.59 O ATOM 534 CB SER A 34 6.148 7.853 -37.491 1.00 0.60 C ATOM 535 OG SER A 34 6.008 7.689 -36.093 1.00 1.29 O ATOM 0 H SER A 34 3.742 7.318 -36.986 1.00 0.47 H new ATOM 0 HA SER A 34 5.373 7.067 -39.319 1.00 0.53 H new ATOM 0 HB2 SER A 34 7.200 7.769 -37.765 1.00 0.60 H new ATOM 0 HB3 SER A 34 5.823 8.854 -37.776 1.00 0.60 H new ATOM 0 HG SER A 34 5.149 8.062 -35.804 1.00 1.29 H new ATOM 541 N SER A 35 5.474 4.700 -37.065 1.00 0.55 N ATOM 542 CA SER A 35 5.947 3.346 -36.826 1.00 0.62 C ATOM 543 C SER A 35 5.476 2.403 -37.936 1.00 0.59 C ATOM 544 O SER A 35 6.196 1.489 -38.337 1.00 0.65 O ATOM 545 CB SER A 35 5.456 2.849 -35.464 1.00 0.72 C ATOM 546 OG SER A 35 5.932 3.682 -34.414 1.00 0.78 O ATOM 0 H SER A 35 4.777 5.031 -36.397 1.00 0.55 H new ATOM 0 HA SER A 35 7.037 3.357 -36.826 1.00 0.62 H new ATOM 0 HB2 SER A 35 4.366 2.830 -35.452 1.00 0.72 H new ATOM 0 HB3 SER A 35 5.795 1.826 -35.303 1.00 0.72 H new ATOM 0 HG SER A 35 5.261 4.366 -34.210 1.00 0.78 H new ATOM 552 N ALA A 36 4.277 2.651 -38.448 1.00 0.54 N ATOM 553 CA ALA A 36 3.675 1.774 -39.444 1.00 0.57 C ATOM 554 C ALA A 36 4.087 2.146 -40.866 1.00 0.51 C ATOM 555 O ALA A 36 4.588 1.308 -41.615 1.00 0.52 O ATOM 556 CB ALA A 36 2.163 1.801 -39.317 1.00 0.64 C ATOM 0 H ALA A 36 3.702 3.453 -38.190 1.00 0.54 H new ATOM 0 HA ALA A 36 4.041 0.765 -39.252 1.00 0.57 H new ATOM 0 HB1 ALA A 36 1.723 1.142 -40.066 1.00 0.64 H new ATOM 0 HB2 ALA A 36 1.875 1.462 -38.322 1.00 0.64 H new ATOM 0 HB3 ALA A 36 1.803 2.818 -39.472 1.00 0.64 H new ATOM 562 N LEU A 37 3.869 3.403 -41.234 1.00 0.50 N ATOM 563 CA LEU A 37 4.134 3.863 -42.595 1.00 0.53 C ATOM 564 C LEU A 37 5.612 4.179 -42.781 1.00 0.52 C ATOM 565 O LEU A 37 6.121 4.159 -43.902 1.00 0.62 O ATOM 566 CB LEU A 37 3.296 5.108 -42.904 1.00 0.57 C ATOM 567 CG LEU A 37 1.781 4.923 -42.791 1.00 0.70 C ATOM 568 CD1 LEU A 37 1.065 6.255 -42.959 1.00 0.86 C ATOM 569 CD2 LEU A 37 1.288 3.924 -43.825 1.00 0.94 C ATOM 0 H LEU A 37 3.509 4.124 -40.609 1.00 0.50 H new ATOM 0 HA LEU A 37 3.859 3.064 -43.284 1.00 0.53 H new ATOM 0 HB2 LEU A 37 3.599 5.907 -42.227 1.00 0.57 H new ATOM 0 HB3 LEU A 37 3.530 5.441 -43.915 1.00 0.57 H new ATOM 0 HG LEU A 37 1.557 4.534 -41.798 1.00 0.70 H new ATOM 0 HD11 LEU A 37 -0.011 6.103 -42.876 1.00 0.86 H new ATOM 0 HD12 LEU A 37 1.395 6.946 -42.183 1.00 0.86 H new ATOM 0 HD13 LEU A 37 1.297 6.672 -43.939 1.00 0.86 H new ATOM 0 HD21 LEU A 37 0.209 3.805 -43.730 1.00 0.94 H new ATOM 0 HD22 LEU A 37 1.526 4.287 -44.825 1.00 0.94 H new ATOM 0 HD23 LEU A 37 1.775 2.962 -43.663 1.00 0.94 H new ATOM 581 N LYS A 38 6.281 4.473 -41.669 1.00 0.47 N ATOM 582 CA LYS A 38 7.705 4.813 -41.659 1.00 0.52 C ATOM 583 C LYS A 38 8.052 5.882 -42.700 1.00 0.47 C ATOM 584 O LYS A 38 8.712 5.596 -43.700 1.00 0.54 O ATOM 585 CB LYS A 38 8.565 3.562 -41.871 1.00 0.70 C ATOM 586 CG LYS A 38 8.469 2.552 -40.737 1.00 1.32 C ATOM 587 CD LYS A 38 9.367 1.350 -40.986 1.00 1.93 C ATOM 588 CE LYS A 38 9.332 0.364 -39.826 1.00 2.67 C ATOM 589 NZ LYS A 38 7.973 -0.195 -39.598 1.00 3.36 N ATOM 0 H LYS A 38 5.850 4.483 -40.744 1.00 0.47 H new ATOM 0 HA LYS A 38 7.925 5.231 -40.677 1.00 0.52 H new ATOM 0 HB2 LYS A 38 8.265 3.080 -42.801 1.00 0.70 H new ATOM 0 HB3 LYS A 38 9.606 3.864 -41.989 1.00 0.70 H new ATOM 0 HG2 LYS A 38 8.750 3.029 -39.798 1.00 1.32 H new ATOM 0 HG3 LYS A 38 7.436 2.220 -40.630 1.00 1.32 H new ATOM 0 HD2 LYS A 38 9.053 0.846 -41.900 1.00 1.93 H new ATOM 0 HD3 LYS A 38 10.391 1.689 -41.144 1.00 1.93 H new ATOM 0 HE2 LYS A 38 10.028 -0.451 -40.024 1.00 2.67 H new ATOM 0 HE3 LYS A 38 9.674 0.862 -38.919 1.00 2.67 H new ATOM 0 HZ1 LYS A 38 8.022 -0.946 -38.880 1.00 3.36 H new ATOM 0 HZ2 LYS A 38 7.338 0.559 -39.267 1.00 3.36 H new ATOM 0 HZ3 LYS A 38 7.607 -0.590 -40.487 1.00 3.36 H new ATOM 603 N PRO A 39 7.596 7.127 -42.497 1.00 0.46 N ATOM 604 CA PRO A 39 7.929 8.226 -43.390 1.00 0.47 C ATOM 605 C PRO A 39 9.309 8.805 -43.095 1.00 0.51 C ATOM 606 O PRO A 39 9.662 9.039 -41.936 1.00 0.63 O ATOM 607 CB PRO A 39 6.831 9.250 -43.111 1.00 0.50 C ATOM 608 CG PRO A 39 6.421 9.009 -41.697 1.00 0.54 C ATOM 609 CD PRO A 39 6.718 7.558 -41.393 1.00 0.52 C ATOM 0 HA PRO A 39 7.975 7.915 -44.434 1.00 0.47 H new ATOM 0 HB2 PRO A 39 7.198 10.267 -43.247 1.00 0.50 H new ATOM 0 HB3 PRO A 39 5.990 9.121 -43.792 1.00 0.50 H new ATOM 0 HG2 PRO A 39 6.968 9.665 -41.020 1.00 0.54 H new ATOM 0 HG3 PRO A 39 5.361 9.223 -41.561 1.00 0.54 H new ATOM 0 HD2 PRO A 39 7.210 7.447 -40.427 1.00 0.52 H new ATOM 0 HD3 PRO A 39 5.805 6.964 -41.356 1.00 0.52 H new ATOM 617 N THR A 40 10.085 9.030 -44.145 1.00 0.52 N ATOM 618 CA THR A 40 11.401 9.623 -44.006 1.00 0.61 C ATOM 619 C THR A 40 11.276 11.069 -43.534 1.00 0.62 C ATOM 620 O THR A 40 12.139 11.582 -42.819 1.00 0.73 O ATOM 621 CB THR A 40 12.179 9.561 -45.335 1.00 0.67 C ATOM 622 OG1 THR A 40 11.359 10.036 -46.411 1.00 0.70 O ATOM 623 CG2 THR A 40 12.629 8.137 -45.627 1.00 0.71 C ATOM 0 H THR A 40 9.822 8.809 -45.105 1.00 0.52 H new ATOM 0 HA THR A 40 11.957 9.052 -43.262 1.00 0.61 H new ATOM 0 HB THR A 40 13.059 10.197 -45.245 1.00 0.67 H new ATOM 0 HG1 THR A 40 11.716 9.709 -47.263 1.00 0.70 H new ATOM 0 HG21 THR A 40 13.176 8.114 -46.569 1.00 0.71 H new ATOM 0 HG22 THR A 40 13.277 7.788 -44.823 1.00 0.71 H new ATOM 0 HG23 THR A 40 11.757 7.487 -45.698 1.00 0.71 H new ATOM 631 N PHE A 41 10.184 11.711 -43.924 1.00 0.54 N ATOM 632 CA PHE A 41 9.890 13.064 -43.484 1.00 0.55 C ATOM 633 C PHE A 41 8.400 13.203 -43.199 1.00 0.48 C ATOM 634 O PHE A 41 7.567 12.664 -43.929 1.00 0.45 O ATOM 635 CB PHE A 41 10.332 14.084 -44.539 1.00 0.57 C ATOM 636 CG PHE A 41 10.142 15.515 -44.116 1.00 0.62 C ATOM 637 CD1 PHE A 41 11.045 16.122 -43.257 1.00 0.69 C ATOM 638 CD2 PHE A 41 9.063 16.251 -44.577 1.00 0.62 C ATOM 639 CE1 PHE A 41 10.872 17.436 -42.865 1.00 0.76 C ATOM 640 CE2 PHE A 41 8.887 17.566 -44.190 1.00 0.70 C ATOM 641 CZ PHE A 41 9.792 18.159 -43.332 1.00 0.75 C ATOM 0 H PHE A 41 9.484 11.312 -44.549 1.00 0.54 H new ATOM 0 HA PHE A 41 10.445 13.263 -42.567 1.00 0.55 H new ATOM 0 HB2 PHE A 41 11.384 13.920 -44.771 1.00 0.57 H new ATOM 0 HB3 PHE A 41 9.772 13.909 -45.458 1.00 0.57 H new ATOM 0 HD1 PHE A 41 11.893 15.562 -42.890 1.00 0.69 H new ATOM 0 HD2 PHE A 41 8.351 15.792 -45.247 1.00 0.62 H new ATOM 0 HE1 PHE A 41 11.581 17.897 -42.194 1.00 0.76 H new ATOM 0 HE2 PHE A 41 8.042 18.129 -44.558 1.00 0.70 H new ATOM 0 HZ PHE A 41 9.656 19.186 -43.027 1.00 0.75 H new ATOM 651 N LEU A 42 8.071 13.901 -42.127 1.00 0.50 N ATOM 652 CA LEU A 42 6.684 14.134 -41.763 1.00 0.48 C ATOM 653 C LEU A 42 6.482 15.594 -41.373 1.00 0.54 C ATOM 654 O LEU A 42 7.142 16.100 -40.463 1.00 0.64 O ATOM 655 CB LEU A 42 6.278 13.213 -40.606 1.00 0.53 C ATOM 656 CG LEU A 42 4.821 13.331 -40.152 1.00 0.60 C ATOM 657 CD1 LEU A 42 3.873 12.935 -41.275 1.00 1.03 C ATOM 658 CD2 LEU A 42 4.582 12.473 -38.919 1.00 1.55 C ATOM 0 H LEU A 42 8.749 14.319 -41.490 1.00 0.50 H new ATOM 0 HA LEU A 42 6.053 13.911 -42.623 1.00 0.48 H new ATOM 0 HB2 LEU A 42 6.466 12.181 -40.903 1.00 0.53 H new ATOM 0 HB3 LEU A 42 6.924 13.422 -39.754 1.00 0.53 H new ATOM 0 HG LEU A 42 4.623 14.371 -39.894 1.00 0.60 H new ATOM 0 HD11 LEU A 42 2.843 13.026 -40.931 1.00 1.03 H new ATOM 0 HD12 LEU A 42 4.029 13.591 -42.131 1.00 1.03 H new ATOM 0 HD13 LEU A 42 4.067 11.903 -41.569 1.00 1.03 H new ATOM 0 HD21 LEU A 42 3.542 12.566 -38.607 1.00 1.55 H new ATOM 0 HD22 LEU A 42 4.798 11.431 -39.153 1.00 1.55 H new ATOM 0 HD23 LEU A 42 5.234 12.806 -38.112 1.00 1.55 H new ATOM 670 N GLU A 43 5.586 16.271 -42.076 1.00 0.57 N ATOM 671 CA GLU A 43 5.295 17.668 -41.788 1.00 0.69 C ATOM 672 C GLU A 43 3.829 17.841 -41.408 1.00 0.60 C ATOM 673 O GLU A 43 2.931 17.583 -42.211 1.00 0.53 O ATOM 674 CB GLU A 43 5.647 18.543 -42.994 1.00 0.82 C ATOM 675 CG GLU A 43 5.392 20.025 -42.770 1.00 1.00 C ATOM 676 CD GLU A 43 5.880 20.882 -43.920 1.00 1.62 C ATOM 677 OE1 GLU A 43 5.318 20.773 -45.027 1.00 2.19 O ATOM 678 OE2 GLU A 43 6.840 21.658 -43.718 1.00 2.23 O ATOM 0 H GLU A 43 5.049 15.877 -42.848 1.00 0.57 H new ATOM 0 HA GLU A 43 5.906 17.983 -40.942 1.00 0.69 H new ATOM 0 HB2 GLU A 43 6.698 18.398 -43.242 1.00 0.82 H new ATOM 0 HB3 GLU A 43 5.067 18.210 -43.855 1.00 0.82 H new ATOM 0 HG2 GLU A 43 4.324 20.188 -42.628 1.00 1.00 H new ATOM 0 HG3 GLU A 43 5.887 20.340 -41.852 1.00 1.00 H new ATOM 685 N LEU A 44 3.593 18.254 -40.171 1.00 0.67 N ATOM 686 CA LEU A 44 2.241 18.490 -39.692 1.00 0.65 C ATOM 687 C LEU A 44 1.857 19.941 -39.933 1.00 0.64 C ATOM 688 O LEU A 44 2.457 20.851 -39.365 1.00 0.77 O ATOM 689 CB LEU A 44 2.117 18.165 -38.193 1.00 0.82 C ATOM 690 CG LEU A 44 2.196 16.681 -37.806 1.00 0.97 C ATOM 691 CD1 LEU A 44 1.184 15.864 -38.592 1.00 1.27 C ATOM 692 CD2 LEU A 44 3.601 16.132 -38.005 1.00 1.72 C ATOM 0 H LEU A 44 4.322 18.433 -39.481 1.00 0.67 H new ATOM 0 HA LEU A 44 1.566 17.833 -40.241 1.00 0.65 H new ATOM 0 HB2 LEU A 44 2.905 18.699 -37.662 1.00 0.82 H new ATOM 0 HB3 LEU A 44 1.167 18.561 -37.835 1.00 0.82 H new ATOM 0 HG LEU A 44 1.953 16.601 -36.746 1.00 0.97 H new ATOM 0 HD11 LEU A 44 1.258 14.816 -38.301 1.00 1.27 H new ATOM 0 HD12 LEU A 44 0.179 16.229 -38.381 1.00 1.27 H new ATOM 0 HD13 LEU A 44 1.388 15.960 -39.658 1.00 1.27 H new ATOM 0 HD21 LEU A 44 3.624 15.080 -37.722 1.00 1.72 H new ATOM 0 HD22 LEU A 44 3.886 16.233 -39.052 1.00 1.72 H new ATOM 0 HD23 LEU A 44 4.301 16.690 -37.383 1.00 1.72 H new ATOM 704 N VAL A 45 0.863 20.149 -40.778 1.00 0.57 N ATOM 705 CA VAL A 45 0.423 21.490 -41.125 1.00 0.63 C ATOM 706 C VAL A 45 -0.982 21.736 -40.627 1.00 0.60 C ATOM 707 O VAL A 45 -1.834 20.841 -40.630 1.00 0.56 O ATOM 708 CB VAL A 45 0.481 21.727 -42.653 1.00 0.73 C ATOM 709 CG1 VAL A 45 0.134 23.164 -43.000 1.00 1.08 C ATOM 710 CG2 VAL A 45 1.851 21.370 -43.203 1.00 0.90 C ATOM 0 H VAL A 45 0.342 19.403 -41.239 1.00 0.57 H new ATOM 0 HA VAL A 45 1.104 22.190 -40.641 1.00 0.63 H new ATOM 0 HB VAL A 45 -0.261 21.076 -43.116 1.00 0.73 H new ATOM 0 HG11 VAL A 45 0.183 23.300 -44.080 1.00 1.08 H new ATOM 0 HG12 VAL A 45 -0.874 23.389 -42.652 1.00 1.08 H new ATOM 0 HG13 VAL A 45 0.843 23.836 -42.517 1.00 1.08 H new ATOM 0 HG21 VAL A 45 1.868 21.545 -44.279 1.00 0.90 H new ATOM 0 HG22 VAL A 45 2.609 21.989 -42.723 1.00 0.90 H new ATOM 0 HG23 VAL A 45 2.061 20.319 -43.003 1.00 0.90 H new ATOM 720 N ASP A 46 -1.206 22.952 -40.174 1.00 0.76 N ATOM 721 CA ASP A 46 -2.501 23.352 -39.693 1.00 0.83 C ATOM 722 C ASP A 46 -3.451 23.479 -40.882 1.00 0.80 C ATOM 723 O ASP A 46 -3.162 24.177 -41.857 1.00 0.99 O ATOM 724 CB ASP A 46 -2.372 24.649 -38.885 1.00 1.16 C ATOM 725 CG ASP A 46 -2.535 25.926 -39.694 1.00 1.38 C ATOM 726 OD1 ASP A 46 -1.602 26.298 -40.435 1.00 1.57 O ATOM 727 OD2 ASP A 46 -3.588 26.582 -39.562 1.00 1.83 O ATOM 0 H ASP A 46 -0.496 23.683 -40.131 1.00 0.76 H new ATOM 0 HA ASP A 46 -2.918 22.604 -39.019 1.00 0.83 H new ATOM 0 HB2 ASP A 46 -3.119 24.641 -38.091 1.00 1.16 H new ATOM 0 HB3 ASP A 46 -1.395 24.664 -38.403 1.00 1.16 H new ATOM 732 N LYS A 47 -4.558 22.754 -40.819 1.00 0.81 N ATOM 733 CA LYS A 47 -5.433 22.602 -41.971 1.00 1.03 C ATOM 734 C LYS A 47 -6.139 23.911 -42.308 1.00 1.12 C ATOM 735 O LYS A 47 -6.964 24.410 -41.537 1.00 1.66 O ATOM 736 CB LYS A 47 -6.442 21.484 -41.718 1.00 1.36 C ATOM 737 CG LYS A 47 -7.164 21.016 -42.970 1.00 1.85 C ATOM 738 CD LYS A 47 -7.825 19.666 -42.750 1.00 2.14 C ATOM 739 CE LYS A 47 -8.459 19.133 -44.025 1.00 2.34 C ATOM 740 NZ LYS A 47 -7.492 19.083 -45.156 1.00 2.76 N ATOM 0 H LYS A 47 -4.871 22.262 -39.982 1.00 0.81 H new ATOM 0 HA LYS A 47 -4.822 22.332 -42.833 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -5.925 20.636 -41.269 1.00 1.36 H new ATOM 0 HB3 LYS A 47 -7.179 21.829 -40.992 1.00 1.36 H new ATOM 0 HG2 LYS A 47 -7.917 21.751 -43.255 1.00 1.85 H new ATOM 0 HG3 LYS A 47 -6.457 20.947 -43.797 1.00 1.85 H new ATOM 0 HD2 LYS A 47 -7.084 18.953 -42.387 1.00 2.14 H new ATOM 0 HD3 LYS A 47 -8.587 19.756 -41.976 1.00 2.14 H new ATOM 0 HE2 LYS A 47 -8.853 18.133 -43.842 1.00 2.34 H new ATOM 0 HE3 LYS A 47 -9.304 19.764 -44.300 1.00 2.34 H new ATOM 0 HZ1 LYS A 47 -7.886 18.504 -45.924 1.00 2.76 H new ATOM 0 HZ2 LYS A 47 -7.316 20.047 -45.505 1.00 2.76 H new ATOM 0 HZ3 LYS A 47 -6.598 18.664 -44.830 1.00 2.76 H new ATOM 815 N SER A 54 -8.311 20.314 -36.922 1.00 1.25 N ATOM 816 CA SER A 54 -8.012 19.411 -38.011 1.00 1.00 C ATOM 817 C SER A 54 -6.541 19.497 -38.388 1.00 0.82 C ATOM 818 O SER A 54 -5.958 20.583 -38.424 1.00 0.89 O ATOM 819 CB SER A 54 -8.908 19.737 -39.208 1.00 1.14 C ATOM 820 OG SER A 54 -9.024 21.139 -39.394 1.00 1.71 O ATOM 0 HA SER A 54 -8.212 18.388 -37.694 1.00 1.00 H new ATOM 0 HB2 SER A 54 -8.497 19.281 -40.108 1.00 1.14 H new ATOM 0 HB3 SER A 54 -9.897 19.305 -39.054 1.00 1.14 H new ATOM 0 HG SER A 54 -8.959 21.591 -38.527 1.00 1.71 H new ATOM 826 N PHE A 55 -5.940 18.349 -38.654 1.00 0.67 N ATOM 827 CA PHE A 55 -4.535 18.294 -39.016 1.00 0.60 C ATOM 828 C PHE A 55 -4.387 17.843 -40.456 1.00 0.52 C ATOM 829 O PHE A 55 -5.012 16.866 -40.875 1.00 0.50 O ATOM 830 CB PHE A 55 -3.768 17.338 -38.096 1.00 0.67 C ATOM 831 CG PHE A 55 -3.766 17.748 -36.650 1.00 0.81 C ATOM 832 CD1 PHE A 55 -2.899 18.729 -36.197 1.00 0.86 C ATOM 833 CD2 PHE A 55 -4.626 17.149 -35.745 1.00 0.99 C ATOM 834 CE1 PHE A 55 -2.888 19.103 -34.868 1.00 1.03 C ATOM 835 CE2 PHE A 55 -4.622 17.519 -34.414 1.00 1.15 C ATOM 836 CZ PHE A 55 -3.753 18.498 -33.975 1.00 1.15 C ATOM 0 H PHE A 55 -6.405 17.442 -38.626 1.00 0.67 H new ATOM 0 HA PHE A 55 -4.117 19.294 -38.903 1.00 0.60 H new ATOM 0 HB2 PHE A 55 -4.204 16.342 -38.180 1.00 0.67 H new ATOM 0 HB3 PHE A 55 -2.737 17.265 -38.443 1.00 0.67 H new ATOM 0 HD1 PHE A 55 -2.224 19.207 -36.892 1.00 0.86 H new ATOM 0 HD2 PHE A 55 -5.308 16.383 -36.084 1.00 0.99 H new ATOM 0 HE1 PHE A 55 -2.205 19.867 -34.527 1.00 1.03 H new ATOM 0 HE2 PHE A 55 -5.297 17.043 -33.718 1.00 1.15 H new ATOM 0 HZ PHE A 55 -3.749 18.791 -32.935 1.00 1.15 H new ATOM 846 N ASP A 56 -3.570 18.555 -41.208 1.00 0.51 N ATOM 847 CA ASP A 56 -3.268 18.162 -42.571 1.00 0.52 C ATOM 848 C ASP A 56 -1.794 17.805 -42.650 1.00 0.50 C ATOM 849 O ASP A 56 -0.928 18.671 -42.538 1.00 0.55 O ATOM 850 CB ASP A 56 -3.612 19.285 -43.553 1.00 0.58 C ATOM 851 CG ASP A 56 -3.867 18.773 -44.957 1.00 0.64 C ATOM 852 OD1 ASP A 56 -4.966 18.230 -45.202 1.00 1.35 O ATOM 853 OD2 ASP A 56 -2.989 18.929 -45.832 1.00 1.23 O ATOM 0 H ASP A 56 -3.104 19.408 -40.899 1.00 0.51 H new ATOM 0 HA ASP A 56 -3.872 17.298 -42.848 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -4.495 19.816 -43.198 1.00 0.58 H new ATOM 0 HB3 ASP A 56 -2.795 20.006 -43.576 1.00 0.58 H new ATOM 858 N ALA A 57 -1.513 16.527 -42.813 1.00 0.48 N ATOM 859 CA ALA A 57 -0.155 16.037 -42.694 1.00 0.48 C ATOM 860 C ALA A 57 0.443 15.697 -44.047 1.00 0.44 C ATOM 861 O ALA A 57 -0.071 14.850 -44.778 1.00 0.46 O ATOM 862 CB ALA A 57 -0.118 14.819 -41.787 1.00 0.51 C ATOM 0 H ALA A 57 -2.206 15.810 -43.028 1.00 0.48 H new ATOM 0 HA ALA A 57 0.447 16.834 -42.258 1.00 0.48 H new ATOM 0 HB1 ALA A 57 0.907 14.458 -41.704 1.00 0.51 H new ATOM 0 HB2 ALA A 57 -0.488 15.090 -40.798 1.00 0.51 H new ATOM 0 HB3 ALA A 57 -0.746 14.033 -42.207 1.00 0.51 H new ATOM 868 N VAL A 58 1.531 16.372 -44.370 1.00 0.42 N ATOM 869 CA VAL A 58 2.295 16.067 -45.561 1.00 0.41 C ATOM 870 C VAL A 58 3.170 14.853 -45.291 1.00 0.39 C ATOM 871 O VAL A 58 4.074 14.904 -44.452 1.00 0.41 O ATOM 872 CB VAL A 58 3.182 17.257 -45.989 1.00 0.48 C ATOM 873 CG1 VAL A 58 3.972 16.921 -47.248 1.00 0.51 C ATOM 874 CG2 VAL A 58 2.333 18.505 -46.202 1.00 0.55 C ATOM 0 H VAL A 58 1.906 17.142 -43.817 1.00 0.42 H new ATOM 0 HA VAL A 58 1.597 15.862 -46.373 1.00 0.41 H new ATOM 0 HB VAL A 58 3.894 17.457 -45.188 1.00 0.48 H new ATOM 0 HG11 VAL A 58 4.589 17.775 -47.529 1.00 0.51 H new ATOM 0 HG12 VAL A 58 4.611 16.059 -47.057 1.00 0.51 H new ATOM 0 HG13 VAL A 58 3.282 16.689 -48.059 1.00 0.51 H new ATOM 0 HG21 VAL A 58 2.974 19.334 -46.503 1.00 0.55 H new ATOM 0 HG22 VAL A 58 1.595 18.315 -46.982 1.00 0.55 H new ATOM 0 HG23 VAL A 58 1.822 18.760 -45.274 1.00 0.55 H new ATOM 884 N ILE A 59 2.895 13.757 -45.979 1.00 0.38 N ATOM 885 CA ILE A 59 3.638 12.533 -45.753 1.00 0.40 C ATOM 886 C ILE A 59 4.748 12.410 -46.782 1.00 0.44 C ATOM 887 O ILE A 59 4.556 12.717 -47.958 1.00 0.65 O ATOM 888 CB ILE A 59 2.726 11.272 -45.784 1.00 0.49 C ATOM 889 CG1 ILE A 59 2.372 10.838 -47.214 1.00 1.18 C ATOM 890 CG2 ILE A 59 1.450 11.530 -45.008 1.00 0.77 C ATOM 891 CD1 ILE A 59 3.185 9.662 -47.713 1.00 0.80 C ATOM 0 H ILE A 59 2.169 13.692 -46.692 1.00 0.38 H new ATOM 0 HA ILE A 59 4.069 12.588 -44.753 1.00 0.40 H new ATOM 0 HB ILE A 59 3.290 10.463 -45.321 1.00 0.49 H new ATOM 0 HG12 ILE A 59 1.314 10.580 -47.254 1.00 1.18 H new ATOM 0 HG13 ILE A 59 2.520 11.682 -47.887 1.00 1.18 H new ATOM 0 HG21 ILE A 59 0.820 10.641 -45.037 1.00 0.77 H new ATOM 0 HG22 ILE A 59 1.695 11.767 -43.973 1.00 0.77 H new ATOM 0 HG23 ILE A 59 0.915 12.368 -45.455 1.00 0.77 H new ATOM 0 HD11 ILE A 59 2.879 9.413 -48.729 1.00 0.80 H new ATOM 0 HD12 ILE A 59 4.243 9.922 -47.706 1.00 0.80 H new ATOM 0 HD13 ILE A 59 3.019 8.803 -47.063 1.00 0.80 H new ATOM 903 N VAL A 60 5.918 12.023 -46.317 1.00 0.39 N ATOM 904 CA VAL A 60 7.055 11.794 -47.186 1.00 0.42 C ATOM 905 C VAL A 60 7.664 10.442 -46.849 1.00 0.40 C ATOM 906 O VAL A 60 8.414 10.317 -45.884 1.00 0.44 O ATOM 907 CB VAL A 60 8.116 12.909 -47.022 1.00 0.51 C ATOM 908 CG1 VAL A 60 9.330 12.646 -47.891 1.00 0.58 C ATOM 909 CG2 VAL A 60 7.522 14.273 -47.341 1.00 0.58 C ATOM 0 H VAL A 60 6.108 11.859 -45.328 1.00 0.39 H new ATOM 0 HA VAL A 60 6.718 11.806 -48.223 1.00 0.42 H new ATOM 0 HB VAL A 60 8.438 12.906 -45.981 1.00 0.51 H new ATOM 0 HG11 VAL A 60 10.057 13.447 -47.753 1.00 0.58 H new ATOM 0 HG12 VAL A 60 9.781 11.695 -47.608 1.00 0.58 H new ATOM 0 HG13 VAL A 60 9.027 12.607 -48.937 1.00 0.58 H new ATOM 0 HG21 VAL A 60 8.286 15.040 -47.219 1.00 0.58 H new ATOM 0 HG22 VAL A 60 7.161 14.281 -48.369 1.00 0.58 H new ATOM 0 HG23 VAL A 60 6.692 14.476 -46.664 1.00 0.58 H new ATOM 919 N SER A 61 7.311 9.423 -47.618 1.00 0.39 N ATOM 920 CA SER A 61 7.720 8.067 -47.290 1.00 0.42 C ATOM 921 C SER A 61 7.993 7.236 -48.538 1.00 0.42 C ATOM 922 O SER A 61 7.415 7.470 -49.603 1.00 0.43 O ATOM 923 CB SER A 61 6.632 7.392 -46.448 1.00 0.45 C ATOM 924 OG SER A 61 6.962 6.044 -46.164 1.00 0.84 O ATOM 0 H SER A 61 6.748 9.508 -48.465 1.00 0.39 H new ATOM 0 HA SER A 61 8.649 8.128 -46.724 1.00 0.42 H new ATOM 0 HB2 SER A 61 6.499 7.940 -45.515 1.00 0.45 H new ATOM 0 HB3 SER A 61 5.681 7.431 -46.979 1.00 0.45 H new ATOM 0 HG SER A 61 7.523 6.007 -45.362 1.00 0.84 H new ATOM 930 N ASN A 62 8.897 6.270 -48.393 1.00 0.51 N ATOM 931 CA ASN A 62 9.152 5.279 -49.431 1.00 0.57 C ATOM 932 C ASN A 62 7.945 4.363 -49.591 1.00 0.56 C ATOM 933 O ASN A 62 7.789 3.704 -50.606 1.00 0.59 O ATOM 934 CB ASN A 62 10.393 4.439 -49.100 1.00 0.75 C ATOM 935 CG ASN A 62 11.687 5.230 -49.177 1.00 0.86 C ATOM 936 OD1 ASN A 62 12.608 5.008 -48.395 1.00 1.67 O ATOM 937 ND2 ASN A 62 11.779 6.135 -50.140 1.00 0.76 N ATOM 0 H ASN A 62 9.470 6.154 -47.557 1.00 0.51 H new ATOM 0 HA ASN A 62 9.332 5.811 -50.365 1.00 0.57 H new ATOM 0 HB2 ASN A 62 10.287 4.025 -48.097 1.00 0.75 H new ATOM 0 HB3 ASN A 62 10.448 3.596 -49.789 1.00 0.75 H new ATOM 0 HD21 ASN A 62 12.637 6.676 -50.251 1.00 0.76 H new ATOM 0 HD22 ASN A 62 10.992 6.291 -50.770 1.00 0.76 H new ATOM 944 N ASN A 63 7.091 4.332 -48.578 1.00 0.57 N ATOM 945 CA ASN A 63 5.901 3.477 -48.584 1.00 0.66 C ATOM 946 C ASN A 63 4.941 3.863 -49.721 1.00 0.67 C ATOM 947 O ASN A 63 3.975 3.156 -50.002 1.00 0.86 O ATOM 948 CB ASN A 63 5.196 3.584 -47.222 1.00 0.73 C ATOM 949 CG ASN A 63 4.103 2.548 -47.017 1.00 1.03 C ATOM 950 OD1 ASN A 63 4.363 1.436 -46.552 1.00 1.81 O ATOM 951 ND2 ASN A 63 2.868 2.913 -47.329 1.00 1.00 N ATOM 0 H ASN A 63 7.197 4.892 -47.732 1.00 0.57 H new ATOM 0 HA ASN A 63 6.210 2.446 -48.756 1.00 0.66 H new ATOM 0 HB2 ASN A 63 5.937 3.479 -46.430 1.00 0.73 H new ATOM 0 HB3 ASN A 63 4.764 4.580 -47.124 1.00 0.73 H new ATOM 0 HD21 ASN A 63 2.093 2.265 -47.186 1.00 1.00 H new ATOM 0 HD22 ASN A 63 2.692 3.842 -47.712 1.00 1.00 H new ATOM 958 N PHE A 64 5.217 4.981 -50.381 1.00 0.60 N ATOM 959 CA PHE A 64 4.346 5.475 -51.436 1.00 0.67 C ATOM 960 C PHE A 64 5.047 5.493 -52.805 1.00 0.60 C ATOM 961 O PHE A 64 4.389 5.633 -53.837 1.00 0.65 O ATOM 962 CB PHE A 64 3.847 6.878 -51.068 1.00 0.80 C ATOM 963 CG PHE A 64 2.902 7.483 -52.070 1.00 1.48 C ATOM 964 CD1 PHE A 64 1.669 6.903 -52.318 1.00 1.84 C ATOM 965 CD2 PHE A 64 3.253 8.628 -52.768 1.00 2.11 C ATOM 966 CE1 PHE A 64 0.803 7.454 -53.242 1.00 2.66 C ATOM 967 CE2 PHE A 64 2.391 9.184 -53.692 1.00 2.95 C ATOM 968 CZ PHE A 64 1.164 8.596 -53.930 1.00 3.19 C ATOM 0 H PHE A 64 6.037 5.561 -50.203 1.00 0.60 H new ATOM 0 HA PHE A 64 3.499 4.794 -51.523 1.00 0.67 H new ATOM 0 HB2 PHE A 64 3.349 6.831 -50.099 1.00 0.80 H new ATOM 0 HB3 PHE A 64 4.707 7.538 -50.953 1.00 0.80 H new ATOM 0 HD1 PHE A 64 1.382 6.010 -51.783 1.00 1.84 H new ATOM 0 HD2 PHE A 64 4.212 9.091 -52.587 1.00 2.11 H new ATOM 0 HE1 PHE A 64 -0.156 6.992 -53.426 1.00 2.66 H new ATOM 0 HE2 PHE A 64 2.676 10.077 -54.228 1.00 2.95 H new ATOM 0 HZ PHE A 64 0.488 9.028 -54.653 1.00 3.19 H new ATOM 978 N GLU A 65 6.366 5.308 -52.829 1.00 0.58 N ATOM 979 CA GLU A 65 7.123 5.497 -54.071 1.00 0.61 C ATOM 980 C GLU A 65 6.905 4.356 -55.065 1.00 0.65 C ATOM 981 O GLU A 65 7.242 4.481 -56.242 1.00 0.75 O ATOM 982 CB GLU A 65 8.623 5.715 -53.801 1.00 0.71 C ATOM 983 CG GLU A 65 9.278 4.698 -52.876 1.00 0.87 C ATOM 984 CD GLU A 65 9.397 3.311 -53.475 1.00 1.55 C ATOM 985 OE1 GLU A 65 10.270 3.111 -54.341 1.00 2.11 O ATOM 986 OE2 GLU A 65 8.629 2.415 -53.075 1.00 2.14 O ATOM 0 H GLU A 65 6.926 5.033 -52.022 1.00 0.58 H new ATOM 0 HA GLU A 65 6.733 6.405 -54.531 1.00 0.61 H new ATOM 0 HB2 GLU A 65 9.151 5.705 -54.755 1.00 0.71 H new ATOM 0 HB3 GLU A 65 8.756 6.708 -53.373 1.00 0.71 H new ATOM 0 HG2 GLU A 65 10.273 5.054 -52.607 1.00 0.87 H new ATOM 0 HG3 GLU A 65 8.701 4.636 -51.953 1.00 0.87 H new ATOM 993 N ASP A 66 6.328 3.254 -54.603 1.00 0.69 N ATOM 994 CA ASP A 66 6.046 2.128 -55.488 1.00 0.84 C ATOM 995 C ASP A 66 4.642 2.257 -56.067 1.00 0.80 C ATOM 996 O ASP A 66 4.118 1.322 -56.677 1.00 0.93 O ATOM 997 CB ASP A 66 6.193 0.799 -54.743 1.00 1.00 C ATOM 998 CG ASP A 66 6.382 -0.376 -55.684 1.00 1.40 C ATOM 999 OD1 ASP A 66 7.506 -0.545 -56.207 1.00 1.94 O ATOM 1000 OD2 ASP A 66 5.420 -1.147 -55.899 1.00 2.03 O ATOM 0 H ASP A 66 6.048 3.115 -53.632 1.00 0.69 H new ATOM 0 HA ASP A 66 6.769 2.142 -56.304 1.00 0.84 H new ATOM 0 HB2 ASP A 66 7.045 0.858 -54.065 1.00 1.00 H new ATOM 0 HB3 ASP A 66 5.308 0.630 -54.129 1.00 1.00 H new ATOM 1005 N LYS A 67 4.038 3.434 -55.864 1.00 0.78 N ATOM 1006 CA LYS A 67 2.723 3.741 -56.420 1.00 0.88 C ATOM 1007 C LYS A 67 1.676 2.836 -55.775 1.00 0.78 C ATOM 1008 O LYS A 67 0.745 2.363 -56.426 1.00 0.86 O ATOM 1009 CB LYS A 67 2.767 3.545 -57.942 1.00 1.17 C ATOM 1010 CG LYS A 67 1.703 4.293 -58.730 1.00 1.67 C ATOM 1011 CD LYS A 67 1.876 4.040 -60.221 1.00 2.00 C ATOM 1012 CE LYS A 67 3.296 4.358 -60.673 1.00 2.46 C ATOM 1013 NZ LYS A 67 3.608 3.777 -62.004 1.00 3.31 N ATOM 0 H LYS A 67 4.445 4.191 -55.315 1.00 0.78 H new ATOM 0 HA LYS A 67 2.452 4.776 -56.211 1.00 0.88 H new ATOM 0 HB2 LYS A 67 3.747 3.856 -58.303 1.00 1.17 H new ATOM 0 HB3 LYS A 67 2.672 2.481 -58.157 1.00 1.17 H new ATOM 0 HG2 LYS A 67 0.711 3.971 -58.412 1.00 1.67 H new ATOM 0 HG3 LYS A 67 1.772 5.361 -58.525 1.00 1.67 H new ATOM 0 HD2 LYS A 67 1.645 2.999 -60.445 1.00 2.00 H new ATOM 0 HD3 LYS A 67 1.168 4.651 -60.781 1.00 2.00 H new ATOM 0 HE2 LYS A 67 3.429 5.439 -60.711 1.00 2.46 H new ATOM 0 HE3 LYS A 67 4.003 3.975 -59.937 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 4.584 4.020 -62.269 1.00 3.31 H new ATOM 0 HZ2 LYS A 67 3.507 2.743 -61.964 1.00 3.31 H new ATOM 0 HZ3 LYS A 67 2.951 4.161 -62.713 1.00 3.31 H new ATOM 1027 N LYS A 68 1.844 2.613 -54.477 1.00 0.83 N ATOM 1028 CA LYS A 68 1.013 1.671 -53.743 1.00 0.90 C ATOM 1029 C LYS A 68 -0.345 2.250 -53.387 1.00 0.82 C ATOM 1030 O LYS A 68 -0.470 3.023 -52.440 1.00 0.87 O ATOM 1031 CB LYS A 68 1.716 1.221 -52.466 1.00 1.16 C ATOM 1032 CG LYS A 68 2.874 0.281 -52.710 1.00 1.35 C ATOM 1033 CD LYS A 68 2.444 -0.892 -53.569 1.00 1.37 C ATOM 1034 CE LYS A 68 3.468 -2.005 -53.527 1.00 1.55 C ATOM 1035 NZ LYS A 68 3.135 -3.101 -54.471 1.00 1.99 N ATOM 0 H LYS A 68 2.554 3.076 -53.909 1.00 0.83 H new ATOM 0 HA LYS A 68 0.853 0.818 -54.402 1.00 0.90 H new ATOM 0 HB2 LYS A 68 2.079 2.100 -51.932 1.00 1.16 H new ATOM 0 HB3 LYS A 68 0.991 0.730 -51.816 1.00 1.16 H new ATOM 0 HG2 LYS A 68 3.687 0.817 -53.200 1.00 1.35 H new ATOM 0 HG3 LYS A 68 3.260 -0.082 -51.758 1.00 1.35 H new ATOM 0 HD2 LYS A 68 1.481 -1.267 -53.222 1.00 1.37 H new ATOM 0 HD3 LYS A 68 2.305 -0.561 -54.598 1.00 1.37 H new ATOM 0 HE2 LYS A 68 4.451 -1.603 -53.771 1.00 1.55 H new ATOM 0 HE3 LYS A 68 3.529 -2.404 -52.515 1.00 1.55 H new ATOM 0 HZ1 LYS A 68 3.861 -3.843 -54.411 1.00 1.99 H new ATOM 0 HZ2 LYS A 68 2.208 -3.503 -54.224 1.00 1.99 H new ATOM 0 HZ3 LYS A 68 3.102 -2.726 -55.441 1.00 1.99 H new ATOM 1049 N LEU A 69 -1.354 1.872 -54.150 1.00 0.84 N ATOM 1050 CA LEU A 69 -2.725 2.208 -53.818 1.00 0.91 C ATOM 1051 C LEU A 69 -3.205 1.358 -52.650 1.00 0.85 C ATOM 1052 O LEU A 69 -3.561 1.877 -51.591 1.00 0.83 O ATOM 1053 CB LEU A 69 -3.641 1.993 -55.027 1.00 1.16 C ATOM 1054 CG LEU A 69 -5.142 2.013 -54.722 1.00 1.63 C ATOM 1055 CD1 LEU A 69 -5.577 3.371 -54.193 1.00 1.97 C ATOM 1056 CD2 LEU A 69 -5.938 1.640 -55.962 1.00 2.33 C ATOM 0 H LEU A 69 -1.248 1.330 -55.007 1.00 0.84 H new ATOM 0 HA LEU A 69 -2.761 3.260 -53.534 1.00 0.91 H new ATOM 0 HB2 LEU A 69 -3.427 2.765 -55.766 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -3.393 1.035 -55.485 1.00 1.16 H new ATOM 0 HG LEU A 69 -5.340 1.274 -53.945 1.00 1.63 H new ATOM 0 HD11 LEU A 69 -6.647 3.355 -53.985 1.00 1.97 H new ATOM 0 HD12 LEU A 69 -5.033 3.595 -53.276 1.00 1.97 H new ATOM 0 HD13 LEU A 69 -5.363 4.137 -54.938 1.00 1.97 H new ATOM 0 HD21 LEU A 69 -7.003 1.658 -55.730 1.00 2.33 H new ATOM 0 HD22 LEU A 69 -5.728 2.354 -56.758 1.00 2.33 H new ATOM 0 HD23 LEU A 69 -5.655 0.639 -56.289 1.00 2.33 H new ATOM 1068 N LEU A 70 -3.186 0.044 -52.846 1.00 0.89 N ATOM 1069 CA LEU A 70 -3.797 -0.875 -51.895 1.00 0.91 C ATOM 1070 C LEU A 70 -3.044 -0.900 -50.565 1.00 0.79 C ATOM 1071 O LEU A 70 -3.651 -1.030 -49.505 1.00 0.80 O ATOM 1072 CB LEU A 70 -3.984 -2.291 -52.507 1.00 1.06 C ATOM 1073 CG LEU A 70 -2.738 -3.167 -52.807 1.00 1.09 C ATOM 1074 CD1 LEU A 70 -1.652 -2.410 -53.562 1.00 1.03 C ATOM 1075 CD2 LEU A 70 -2.185 -3.795 -51.536 1.00 1.07 C ATOM 0 H LEU A 70 -2.755 -0.407 -53.653 1.00 0.89 H new ATOM 0 HA LEU A 70 -4.796 -0.500 -51.672 1.00 0.91 H new ATOM 0 HB2 LEU A 70 -4.625 -2.857 -51.831 1.00 1.06 H new ATOM 0 HB3 LEU A 70 -4.532 -2.173 -53.442 1.00 1.06 H new ATOM 0 HG LEU A 70 -3.076 -3.968 -53.465 1.00 1.09 H new ATOM 0 HD11 LEU A 70 -0.806 -3.073 -53.744 1.00 1.03 H new ATOM 0 HD12 LEU A 70 -2.049 -2.058 -54.514 1.00 1.03 H new ATOM 0 HD13 LEU A 70 -1.324 -1.557 -52.969 1.00 1.03 H new ATOM 0 HD21 LEU A 70 -1.313 -4.402 -51.780 1.00 1.07 H new ATOM 0 HD22 LEU A 70 -1.896 -3.009 -50.838 1.00 1.07 H new ATOM 0 HD23 LEU A 70 -2.949 -4.424 -51.079 1.00 1.07 H new ATOM 1087 N ASP A 71 -1.725 -0.741 -50.618 1.00 0.72 N ATOM 1088 CA ASP A 71 -0.907 -0.828 -49.415 1.00 0.70 C ATOM 1089 C ASP A 71 -1.066 0.401 -48.538 1.00 0.63 C ATOM 1090 O ASP A 71 -1.205 0.280 -47.324 1.00 0.63 O ATOM 1091 CB ASP A 71 0.563 -1.068 -49.758 1.00 0.77 C ATOM 1092 CG ASP A 71 0.806 -2.483 -50.250 1.00 1.25 C ATOM 1093 OD1 ASP A 71 0.676 -3.432 -49.445 1.00 2.08 O ATOM 1094 OD2 ASP A 71 1.101 -2.654 -51.448 1.00 1.58 O ATOM 0 H ASP A 71 -1.204 -0.553 -51.474 1.00 0.72 H new ATOM 0 HA ASP A 71 -1.263 -1.686 -48.846 1.00 0.70 H new ATOM 0 HB2 ASP A 71 0.878 -0.359 -50.523 1.00 0.77 H new ATOM 0 HB3 ASP A 71 1.177 -0.880 -48.877 1.00 0.77 H new ATOM 1099 N ARG A 72 -1.068 1.589 -49.136 1.00 0.67 N ATOM 1100 CA ARG A 72 -1.282 2.800 -48.354 1.00 0.74 C ATOM 1101 C ARG A 72 -2.687 2.785 -47.763 1.00 0.67 C ATOM 1102 O ARG A 72 -2.902 3.221 -46.639 1.00 0.68 O ATOM 1103 CB ARG A 72 -1.064 4.072 -49.188 1.00 0.92 C ATOM 1104 CG ARG A 72 -2.106 4.308 -50.272 1.00 1.31 C ATOM 1105 CD ARG A 72 -1.869 5.623 -50.998 1.00 1.53 C ATOM 1106 NE ARG A 72 -2.766 5.794 -52.144 1.00 1.92 N ATOM 1107 CZ ARG A 72 -2.929 6.946 -52.798 1.00 2.22 C ATOM 1108 NH1 ARG A 72 -2.311 8.046 -52.382 1.00 2.39 N ATOM 1109 NH2 ARG A 72 -3.722 7.006 -53.862 1.00 2.93 N ATOM 0 H ARG A 72 -0.927 1.737 -50.135 1.00 0.67 H new ATOM 0 HA ARG A 72 -0.546 2.815 -47.550 1.00 0.74 H new ATOM 0 HB2 ARG A 72 -1.055 4.932 -48.518 1.00 0.92 H new ATOM 0 HB3 ARG A 72 -0.080 4.020 -49.654 1.00 0.92 H new ATOM 0 HG2 ARG A 72 -2.080 3.486 -50.988 1.00 1.31 H new ATOM 0 HG3 ARG A 72 -3.101 4.311 -49.827 1.00 1.31 H new ATOM 0 HD2 ARG A 72 -2.010 6.450 -50.302 1.00 1.53 H new ATOM 0 HD3 ARG A 72 -0.835 5.666 -51.339 1.00 1.53 H new ATOM 0 HE ARG A 72 -3.298 4.984 -52.461 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -1.709 8.013 -51.559 1.00 2.39 H new ATOM 0 HH12 ARG A 72 -2.439 8.924 -52.885 1.00 2.39 H new ATOM 0 HH21 ARG A 72 -4.210 6.169 -54.183 1.00 2.93 H new ATOM 0 HH22 ARG A 72 -3.843 7.889 -54.358 1.00 2.93 H new ATOM 1123 N HIS A 73 -3.629 2.238 -48.522 1.00 0.68 N ATOM 1124 CA HIS A 73 -5.011 2.139 -48.081 1.00 0.71 C ATOM 1125 C HIS A 73 -5.122 1.210 -46.876 1.00 0.62 C ATOM 1126 O HIS A 73 -5.662 1.588 -45.839 1.00 0.62 O ATOM 1127 CB HIS A 73 -5.891 1.634 -49.231 1.00 0.82 C ATOM 1128 CG HIS A 73 -7.353 1.557 -48.907 1.00 0.93 C ATOM 1129 ND1 HIS A 73 -8.245 2.553 -49.232 1.00 1.11 N ATOM 1130 CD2 HIS A 73 -8.081 0.585 -48.308 1.00 1.00 C ATOM 1131 CE1 HIS A 73 -9.456 2.197 -48.848 1.00 1.21 C ATOM 1132 NE2 HIS A 73 -9.387 1.006 -48.286 1.00 1.15 N ATOM 0 H HIS A 73 -3.457 1.855 -49.451 1.00 0.68 H new ATOM 0 HA HIS A 73 -5.357 3.128 -47.782 1.00 0.71 H new ATOM 0 HB2 HIS A 73 -5.756 2.291 -50.090 1.00 0.82 H new ATOM 0 HB3 HIS A 73 -5.545 0.644 -49.529 1.00 0.82 H new ATOM 0 HD2 HIS A 73 -7.703 -0.349 -47.919 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -10.354 2.783 -48.973 1.00 1.21 H new ATOM 0 HE2 HIS A 73 -10.174 0.484 -47.899 1.00 1.15 H new ATOM 1141 N ARG A 74 -4.590 0.002 -47.015 1.00 0.60 N ATOM 1142 CA ARG A 74 -4.716 -1.013 -45.975 1.00 0.59 C ATOM 1143 C ARG A 74 -3.992 -0.589 -44.693 1.00 0.51 C ATOM 1144 O ARG A 74 -4.538 -0.726 -43.599 1.00 0.52 O ATOM 1145 CB ARG A 74 -4.199 -2.368 -46.482 1.00 0.68 C ATOM 1146 CG ARG A 74 -2.686 -2.460 -46.591 1.00 0.74 C ATOM 1147 CD ARG A 74 -2.247 -3.461 -47.646 1.00 0.86 C ATOM 1148 NE ARG A 74 -2.821 -4.790 -47.450 1.00 0.88 N ATOM 1149 CZ ARG A 74 -2.346 -5.886 -48.039 1.00 1.20 C ATOM 1150 NH1 ARG A 74 -1.240 -5.820 -48.774 1.00 1.67 N ATOM 1151 NH2 ARG A 74 -2.967 -7.049 -47.888 1.00 1.32 N ATOM 0 H ARG A 74 -4.067 -0.299 -47.837 1.00 0.60 H new ATOM 0 HA ARG A 74 -5.773 -1.120 -45.732 1.00 0.59 H new ATOM 0 HB2 ARG A 74 -4.551 -3.152 -45.812 1.00 0.68 H new ATOM 0 HB3 ARG A 74 -4.635 -2.566 -47.461 1.00 0.68 H new ATOM 0 HG2 ARG A 74 -2.280 -1.478 -46.833 1.00 0.74 H new ATOM 0 HG3 ARG A 74 -2.271 -2.747 -45.625 1.00 0.74 H new ATOM 0 HD2 ARG A 74 -2.532 -3.090 -48.631 1.00 0.86 H new ATOM 0 HD3 ARG A 74 -1.160 -3.536 -47.636 1.00 0.86 H new ATOM 0 HE ARG A 74 -3.626 -4.883 -46.831 1.00 0.88 H new ATOM 0 HH11 ARG A 74 -0.755 -4.930 -48.887 1.00 1.67 H new ATOM 0 HH12 ARG A 74 -0.876 -6.660 -49.225 1.00 1.67 H new ATOM 0 HH21 ARG A 74 -3.812 -7.106 -47.319 1.00 1.32 H new ATOM 0 HH22 ARG A 74 -2.600 -7.886 -48.341 1.00 1.32 H new ATOM 1165 N LEU A 75 -2.783 -0.043 -44.831 1.00 0.47 N ATOM 1166 CA LEU A 75 -2.001 0.374 -43.670 1.00 0.46 C ATOM 1167 C LEU A 75 -2.680 1.526 -42.941 1.00 0.42 C ATOM 1168 O LEU A 75 -2.842 1.486 -41.721 1.00 0.42 O ATOM 1169 CB LEU A 75 -0.577 0.781 -44.075 1.00 0.51 C ATOM 1170 CG LEU A 75 0.479 -0.330 -43.999 1.00 0.79 C ATOM 1171 CD1 LEU A 75 0.194 -1.427 -45.011 1.00 1.48 C ATOM 1172 CD2 LEU A 75 1.871 0.247 -44.217 1.00 1.36 C ATOM 0 H LEU A 75 -2.328 0.119 -45.729 1.00 0.47 H new ATOM 0 HA LEU A 75 -1.939 -0.481 -42.996 1.00 0.46 H new ATOM 0 HB2 LEU A 75 -0.604 1.162 -45.096 1.00 0.51 H new ATOM 0 HB3 LEU A 75 -0.258 1.604 -43.436 1.00 0.51 H new ATOM 0 HG LEU A 75 0.434 -0.772 -43.003 1.00 0.79 H new ATOM 0 HD11 LEU A 75 0.958 -2.200 -44.934 1.00 1.48 H new ATOM 0 HD12 LEU A 75 -0.785 -1.863 -44.809 1.00 1.48 H new ATOM 0 HD13 LEU A 75 0.204 -1.006 -46.016 1.00 1.48 H new ATOM 0 HD21 LEU A 75 2.609 -0.553 -44.160 1.00 1.36 H new ATOM 0 HD22 LEU A 75 1.920 0.717 -45.199 1.00 1.36 H new ATOM 0 HD23 LEU A 75 2.081 0.990 -43.448 1.00 1.36 H new ATOM 1184 N VAL A 76 -3.088 2.543 -43.689 1.00 0.45 N ATOM 1185 CA VAL A 76 -3.753 3.694 -43.096 1.00 0.50 C ATOM 1186 C VAL A 76 -5.034 3.273 -42.381 1.00 0.48 C ATOM 1187 O VAL A 76 -5.288 3.701 -41.262 1.00 0.50 O ATOM 1188 CB VAL A 76 -4.066 4.786 -44.150 1.00 0.61 C ATOM 1189 CG1 VAL A 76 -5.053 5.815 -43.610 1.00 0.73 C ATOM 1190 CG2 VAL A 76 -2.780 5.472 -44.593 1.00 0.82 C ATOM 0 H VAL A 76 -2.971 2.594 -44.701 1.00 0.45 H new ATOM 0 HA VAL A 76 -3.064 4.120 -42.367 1.00 0.50 H new ATOM 0 HB VAL A 76 -4.527 4.300 -45.010 1.00 0.61 H new ATOM 0 HG11 VAL A 76 -5.250 6.566 -44.375 1.00 0.73 H new ATOM 0 HG12 VAL A 76 -5.985 5.318 -43.340 1.00 0.73 H new ATOM 0 HG13 VAL A 76 -4.630 6.297 -42.729 1.00 0.73 H new ATOM 0 HG21 VAL A 76 -3.012 6.237 -45.334 1.00 0.82 H new ATOM 0 HG22 VAL A 76 -2.299 5.935 -43.731 1.00 0.82 H new ATOM 0 HG23 VAL A 76 -2.107 4.735 -45.032 1.00 0.82 H new ATOM 1200 N ASN A 77 -5.818 2.410 -43.009 1.00 0.48 N ATOM 1201 CA ASN A 77 -7.074 1.969 -42.413 1.00 0.53 C ATOM 1202 C ASN A 77 -6.827 1.220 -41.104 1.00 0.49 C ATOM 1203 O ASN A 77 -7.467 1.503 -40.095 1.00 0.54 O ATOM 1204 CB ASN A 77 -7.869 1.090 -43.389 1.00 0.61 C ATOM 1205 CG ASN A 77 -8.594 1.890 -44.464 1.00 0.76 C ATOM 1206 OD1 ASN A 77 -9.646 1.475 -44.956 1.00 1.14 O ATOM 1207 ND2 ASN A 77 -8.048 3.040 -44.835 1.00 0.92 N ATOM 0 H ASN A 77 -5.612 2.004 -43.922 1.00 0.48 H new ATOM 0 HA ASN A 77 -7.665 2.858 -42.193 1.00 0.53 H new ATOM 0 HB2 ASN A 77 -7.190 0.384 -43.867 1.00 0.61 H new ATOM 0 HB3 ASN A 77 -8.597 0.503 -42.829 1.00 0.61 H new ATOM 0 HD21 ASN A 77 -8.499 3.612 -45.549 1.00 0.92 H new ATOM 0 HD22 ASN A 77 -7.177 3.353 -44.407 1.00 0.92 H new ATOM 1214 N THR A 78 -5.875 0.291 -41.118 1.00 0.45 N ATOM 1215 CA THR A 78 -5.580 -0.528 -39.945 1.00 0.50 C ATOM 1216 C THR A 78 -5.118 0.317 -38.750 1.00 0.46 C ATOM 1217 O THR A 78 -5.717 0.255 -37.675 1.00 0.50 O ATOM 1218 CB THR A 78 -4.508 -1.593 -40.264 1.00 0.57 C ATOM 1219 OG1 THR A 78 -4.936 -2.403 -41.369 1.00 0.62 O ATOM 1220 CG2 THR A 78 -4.241 -2.487 -39.060 1.00 0.69 C ATOM 0 H THR A 78 -5.293 0.086 -41.930 1.00 0.45 H new ATOM 0 HA THR A 78 -6.512 -1.024 -39.674 1.00 0.50 H new ATOM 0 HB THR A 78 -3.586 -1.072 -40.520 1.00 0.57 H new ATOM 0 HG1 THR A 78 -4.836 -1.898 -42.203 1.00 0.62 H new ATOM 0 HG21 THR A 78 -3.482 -3.226 -39.317 1.00 0.69 H new ATOM 0 HG22 THR A 78 -3.889 -1.879 -38.227 1.00 0.69 H new ATOM 0 HG23 THR A 78 -5.161 -2.996 -38.774 1.00 0.69 H new ATOM 1228 N ILE A 79 -4.068 1.112 -38.938 1.00 0.44 N ATOM 1229 CA ILE A 79 -3.492 1.879 -37.834 1.00 0.45 C ATOM 1230 C ILE A 79 -4.366 3.078 -37.480 1.00 0.45 C ATOM 1231 O ILE A 79 -4.734 3.276 -36.315 1.00 0.50 O ATOM 1232 CB ILE A 79 -2.049 2.362 -38.141 1.00 0.51 C ATOM 1233 CG1 ILE A 79 -1.065 1.184 -38.162 1.00 0.66 C ATOM 1234 CG2 ILE A 79 -1.592 3.403 -37.124 1.00 0.59 C ATOM 1235 CD1 ILE A 79 -1.160 0.317 -39.398 1.00 0.77 C ATOM 0 H ILE A 79 -3.601 1.242 -39.835 1.00 0.44 H new ATOM 0 HA ILE A 79 -3.448 1.201 -36.981 1.00 0.45 H new ATOM 0 HB ILE A 79 -2.062 2.822 -39.129 1.00 0.51 H new ATOM 0 HG12 ILE A 79 -0.050 1.572 -38.082 1.00 0.66 H new ATOM 0 HG13 ILE A 79 -1.240 0.564 -37.283 1.00 0.66 H new ATOM 0 HG21 ILE A 79 -0.578 3.724 -37.363 1.00 0.59 H new ATOM 0 HG22 ILE A 79 -2.262 4.262 -37.157 1.00 0.59 H new ATOM 0 HG23 ILE A 79 -1.609 2.968 -36.125 1.00 0.59 H new ATOM 0 HD11 ILE A 79 -0.431 -0.491 -39.333 1.00 0.77 H new ATOM 0 HD12 ILE A 79 -2.163 -0.104 -39.471 1.00 0.77 H new ATOM 0 HD13 ILE A 79 -0.954 0.920 -40.282 1.00 0.77 H new ATOM 1247 N LEU A 80 -4.731 3.858 -38.487 1.00 0.45 N ATOM 1248 CA LEU A 80 -5.510 5.061 -38.255 1.00 0.52 C ATOM 1249 C LEU A 80 -6.943 4.725 -37.868 1.00 0.56 C ATOM 1250 O LEU A 80 -7.708 5.615 -37.543 1.00 0.63 O ATOM 1251 CB LEU A 80 -5.491 5.999 -39.469 1.00 0.56 C ATOM 1252 CG LEU A 80 -4.189 6.785 -39.688 1.00 0.61 C ATOM 1253 CD1 LEU A 80 -3.050 5.872 -40.115 1.00 0.78 C ATOM 1254 CD2 LEU A 80 -4.403 7.881 -40.716 1.00 0.71 C ATOM 0 H LEU A 80 -4.501 3.680 -39.465 1.00 0.45 H new ATOM 0 HA LEU A 80 -5.041 5.585 -37.422 1.00 0.52 H new ATOM 0 HB2 LEU A 80 -5.691 5.409 -40.363 1.00 0.56 H new ATOM 0 HB3 LEU A 80 -6.310 6.711 -39.367 1.00 0.56 H new ATOM 0 HG LEU A 80 -3.910 7.239 -38.737 1.00 0.61 H new ATOM 0 HD11 LEU A 80 -2.145 6.462 -40.261 1.00 0.78 H new ATOM 0 HD12 LEU A 80 -2.874 5.124 -39.342 1.00 0.78 H new ATOM 0 HD13 LEU A 80 -3.313 5.375 -41.049 1.00 0.78 H new ATOM 0 HD21 LEU A 80 -3.473 8.430 -40.862 1.00 0.71 H new ATOM 0 HD22 LEU A 80 -4.714 7.437 -41.662 1.00 0.71 H new ATOM 0 HD23 LEU A 80 -5.176 8.564 -40.364 1.00 0.71 H new ATOM 1266 N LYS A 81 -7.312 3.447 -37.904 1.00 0.57 N ATOM 1267 CA LYS A 81 -8.601 3.023 -37.364 1.00 0.68 C ATOM 1268 C LYS A 81 -8.783 3.585 -35.956 1.00 0.68 C ATOM 1269 O LYS A 81 -9.669 4.399 -35.708 1.00 0.72 O ATOM 1270 CB LYS A 81 -8.699 1.494 -37.337 1.00 0.77 C ATOM 1271 CG LYS A 81 -9.887 0.961 -36.547 1.00 1.02 C ATOM 1272 CD LYS A 81 -11.212 1.439 -37.115 1.00 0.99 C ATOM 1273 CE LYS A 81 -12.371 1.055 -36.210 1.00 1.56 C ATOM 1274 NZ LYS A 81 -12.466 -0.416 -36.023 1.00 1.93 N ATOM 0 H LYS A 81 -6.745 2.695 -38.296 1.00 0.57 H new ATOM 0 HA LYS A 81 -9.392 3.407 -38.008 1.00 0.68 H new ATOM 0 HB2 LYS A 81 -8.763 1.127 -38.361 1.00 0.77 H new ATOM 0 HB3 LYS A 81 -7.781 1.089 -36.910 1.00 0.77 H new ATOM 0 HG2 LYS A 81 -9.864 -0.129 -36.550 1.00 1.02 H new ATOM 0 HG3 LYS A 81 -9.803 1.279 -35.508 1.00 1.02 H new ATOM 0 HD2 LYS A 81 -11.188 2.522 -37.239 1.00 0.99 H new ATOM 0 HD3 LYS A 81 -11.362 1.008 -38.105 1.00 0.99 H new ATOM 0 HE2 LYS A 81 -12.249 1.537 -35.240 1.00 1.56 H new ATOM 0 HE3 LYS A 81 -13.303 1.427 -36.636 1.00 1.56 H new ATOM 0 HZ1 LYS A 81 -13.343 -0.645 -35.514 1.00 1.93 H new ATOM 0 HZ2 LYS A 81 -12.472 -0.884 -36.952 1.00 1.93 H new ATOM 0 HZ3 LYS A 81 -11.649 -0.749 -35.472 1.00 1.93 H new ATOM 1288 N GLU A 82 -7.927 3.156 -35.041 1.00 0.69 N ATOM 1289 CA GLU A 82 -7.963 3.662 -33.681 1.00 0.73 C ATOM 1290 C GLU A 82 -7.376 5.068 -33.607 1.00 0.67 C ATOM 1291 O GLU A 82 -7.787 5.874 -32.778 1.00 0.68 O ATOM 1292 CB GLU A 82 -7.205 2.729 -32.734 1.00 0.90 C ATOM 1293 CG GLU A 82 -5.759 2.490 -33.137 1.00 1.53 C ATOM 1294 CD GLU A 82 -4.918 1.969 -31.994 1.00 2.23 C ATOM 1295 OE1 GLU A 82 -4.953 0.750 -31.725 1.00 2.75 O ATOM 1296 OE2 GLU A 82 -4.214 2.782 -31.355 1.00 2.91 O ATOM 0 H GLU A 82 -7.202 2.461 -35.216 1.00 0.69 H new ATOM 0 HA GLU A 82 -9.007 3.704 -33.370 1.00 0.73 H new ATOM 0 HB2 GLU A 82 -7.228 3.150 -31.729 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -7.723 1.771 -32.690 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -5.728 1.777 -33.961 1.00 1.53 H new ATOM 0 HG3 GLU A 82 -5.329 3.422 -33.505 1.00 1.53 H new ATOM 1303 N GLU A 83 -6.410 5.354 -34.472 1.00 0.64 N ATOM 1304 CA GLU A 83 -5.729 6.645 -34.460 1.00 0.64 C ATOM 1305 C GLU A 83 -6.722 7.795 -34.657 1.00 0.55 C ATOM 1306 O GLU A 83 -6.675 8.797 -33.939 1.00 0.58 O ATOM 1307 CB GLU A 83 -4.656 6.667 -35.543 1.00 0.70 C ATOM 1308 CG GLU A 83 -3.782 7.902 -35.518 1.00 0.64 C ATOM 1309 CD GLU A 83 -2.685 7.840 -36.556 1.00 1.03 C ATOM 1310 OE1 GLU A 83 -1.721 7.072 -36.352 1.00 1.46 O ATOM 1311 OE2 GLU A 83 -2.797 8.546 -37.577 1.00 1.66 O ATOM 0 H GLU A 83 -6.080 4.710 -35.191 1.00 0.64 H new ATOM 0 HA GLU A 83 -5.257 6.782 -33.487 1.00 0.64 H new ATOM 0 HB2 GLU A 83 -4.025 5.785 -35.433 1.00 0.70 H new ATOM 0 HB3 GLU A 83 -5.137 6.594 -36.518 1.00 0.70 H new ATOM 0 HG2 GLU A 83 -4.397 8.785 -35.693 1.00 0.64 H new ATOM 0 HG3 GLU A 83 -3.339 8.013 -34.528 1.00 0.64 H new ATOM 1318 N LEU A 84 -7.642 7.620 -35.605 1.00 0.49 N ATOM 1319 CA LEU A 84 -8.665 8.623 -35.902 1.00 0.48 C ATOM 1320 C LEU A 84 -9.504 8.953 -34.672 1.00 0.52 C ATOM 1321 O LEU A 84 -9.996 10.071 -34.543 1.00 0.58 O ATOM 1322 CB LEU A 84 -9.591 8.161 -37.034 1.00 0.50 C ATOM 1323 CG LEU A 84 -8.932 7.977 -38.404 1.00 0.47 C ATOM 1324 CD1 LEU A 84 -9.971 7.602 -39.449 1.00 0.56 C ATOM 1325 CD2 LEU A 84 -8.178 9.230 -38.826 1.00 0.51 C ATOM 0 H LEU A 84 -7.700 6.784 -36.186 1.00 0.49 H new ATOM 0 HA LEU A 84 -8.135 9.521 -36.219 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -10.046 7.215 -36.741 1.00 0.50 H new ATOM 0 HB3 LEU A 84 -10.399 8.886 -37.135 1.00 0.50 H new ATOM 0 HG LEU A 84 -8.211 7.164 -38.322 1.00 0.47 H new ATOM 0 HD11 LEU A 84 -9.485 7.475 -40.416 1.00 0.56 H new ATOM 0 HD12 LEU A 84 -10.456 6.669 -39.162 1.00 0.56 H new ATOM 0 HD13 LEU A 84 -10.718 8.393 -39.519 1.00 0.56 H new ATOM 0 HD21 LEU A 84 -7.721 9.068 -39.802 1.00 0.51 H new ATOM 0 HD22 LEU A 84 -8.871 10.069 -38.884 1.00 0.51 H new ATOM 0 HD23 LEU A 84 -7.401 9.451 -38.094 1.00 0.51 H new ATOM 1337 N GLN A 85 -9.677 7.973 -33.781 1.00 0.57 N ATOM 1338 CA GLN A 85 -10.513 8.147 -32.587 1.00 0.67 C ATOM 1339 C GLN A 85 -9.993 9.291 -31.711 1.00 0.70 C ATOM 1340 O GLN A 85 -10.702 9.789 -30.837 1.00 0.81 O ATOM 1341 CB GLN A 85 -10.565 6.870 -31.732 1.00 0.75 C ATOM 1342 CG GLN A 85 -10.867 5.576 -32.482 1.00 0.80 C ATOM 1343 CD GLN A 85 -12.049 5.670 -33.421 1.00 0.76 C ATOM 1344 OE1 GLN A 85 -13.198 5.510 -33.015 1.00 0.92 O ATOM 1345 NE2 GLN A 85 -11.768 5.860 -34.696 1.00 0.72 N ATOM 0 H GLN A 85 -9.250 7.050 -33.863 1.00 0.57 H new ATOM 0 HA GLN A 85 -11.515 8.379 -32.947 1.00 0.67 H new ATOM 0 HB2 GLN A 85 -9.607 6.757 -31.224 1.00 0.75 H new ATOM 0 HB3 GLN A 85 -11.322 7.004 -30.959 1.00 0.75 H new ATOM 0 HG2 GLN A 85 -9.985 5.285 -33.053 1.00 0.80 H new ATOM 0 HG3 GLN A 85 -11.054 4.783 -31.757 1.00 0.80 H new ATOM 0 HE21 GLN A 85 -10.800 5.989 -34.991 1.00 0.72 H new ATOM 0 HE22 GLN A 85 -12.519 5.878 -35.386 1.00 0.72 H new ATOM 1354 N ASN A 86 -8.741 9.679 -31.927 1.00 0.64 N ATOM 1355 CA ASN A 86 -8.110 10.714 -31.115 1.00 0.71 C ATOM 1356 C ASN A 86 -8.070 12.044 -31.861 1.00 0.67 C ATOM 1357 O ASN A 86 -7.528 13.030 -31.361 1.00 0.77 O ATOM 1358 CB ASN A 86 -6.681 10.302 -30.736 1.00 0.75 C ATOM 1359 CG ASN A 86 -6.602 8.933 -30.083 1.00 0.85 C ATOM 1360 OD1 ASN A 86 -6.725 8.799 -28.862 1.00 1.02 O ATOM 1361 ND2 ASN A 86 -6.377 7.907 -30.892 1.00 0.87 N ATOM 0 H ASN A 86 -8.143 9.293 -32.657 1.00 0.64 H new ATOM 0 HA ASN A 86 -8.705 10.834 -30.210 1.00 0.71 H new ATOM 0 HB2 ASN A 86 -6.060 10.306 -31.632 1.00 0.75 H new ATOM 0 HB3 ASN A 86 -6.264 11.045 -30.056 1.00 0.75 H new ATOM 0 HD21 ASN A 86 -6.299 6.964 -30.511 1.00 0.87 H new ATOM 0 HD22 ASN A 86 -6.281 8.060 -31.896 1.00 0.87 H new ATOM 1368 N ILE A 87 -8.647 12.074 -33.055 1.00 0.61 N ATOM 1369 CA ILE A 87 -8.583 13.261 -33.901 1.00 0.62 C ATOM 1370 C ILE A 87 -9.985 13.724 -34.281 1.00 0.67 C ATOM 1371 O ILE A 87 -10.898 12.911 -34.419 1.00 0.77 O ATOM 1372 CB ILE A 87 -7.779 12.988 -35.197 1.00 0.58 C ATOM 1373 CG1 ILE A 87 -6.534 12.152 -34.887 1.00 0.55 C ATOM 1374 CG2 ILE A 87 -7.385 14.302 -35.864 1.00 0.68 C ATOM 1375 CD1 ILE A 87 -5.712 11.795 -36.105 1.00 0.59 C ATOM 0 H ILE A 87 -9.163 11.293 -33.460 1.00 0.61 H new ATOM 0 HA ILE A 87 -8.079 14.039 -33.327 1.00 0.62 H new ATOM 0 HB ILE A 87 -8.411 12.426 -35.885 1.00 0.58 H new ATOM 0 HG12 ILE A 87 -5.906 12.701 -34.186 1.00 0.55 H new ATOM 0 HG13 ILE A 87 -6.841 11.233 -34.387 1.00 0.55 H new ATOM 0 HG21 ILE A 87 -6.821 14.094 -36.773 1.00 0.68 H new ATOM 0 HG22 ILE A 87 -8.283 14.866 -36.116 1.00 0.68 H new ATOM 0 HG23 ILE A 87 -6.769 14.887 -35.181 1.00 0.68 H new ATOM 0 HD11 ILE A 87 -4.849 11.203 -35.801 1.00 0.59 H new ATOM 0 HD12 ILE A 87 -6.322 11.217 -36.799 1.00 0.59 H new ATOM 0 HD13 ILE A 87 -5.372 12.708 -36.595 1.00 0.59 H new ATOM 1387 N HIS A 88 -10.160 15.030 -34.441 1.00 0.71 N ATOM 1388 CA HIS A 88 -11.435 15.565 -34.906 1.00 0.80 C ATOM 1389 C HIS A 88 -11.546 15.396 -36.417 1.00 0.76 C ATOM 1390 O HIS A 88 -12.583 14.976 -36.928 1.00 0.89 O ATOM 1391 CB HIS A 88 -11.587 17.043 -34.522 1.00 0.95 C ATOM 1392 CG HIS A 88 -12.911 17.634 -34.911 1.00 1.08 C ATOM 1393 ND1 HIS A 88 -14.015 17.601 -34.092 1.00 1.37 N ATOM 1394 CD2 HIS A 88 -13.303 18.273 -36.041 1.00 1.48 C ATOM 1395 CE1 HIS A 88 -15.029 18.187 -34.696 1.00 1.75 C ATOM 1396 NE2 HIS A 88 -14.624 18.605 -35.880 1.00 1.85 N ATOM 0 H HIS A 88 -9.444 15.733 -34.258 1.00 0.71 H new ATOM 0 HA HIS A 88 -12.239 15.009 -34.423 1.00 0.80 H new ATOM 0 HB2 HIS A 88 -11.456 17.145 -33.445 1.00 0.95 H new ATOM 0 HB3 HIS A 88 -10.790 17.616 -34.996 1.00 0.95 H new ATOM 0 HD2 HIS A 88 -12.690 18.481 -36.905 1.00 1.48 H new ATOM 0 HE1 HIS A 88 -16.023 18.305 -34.291 1.00 1.75 H new ATOM 0 HE2 HIS A 88 -15.200 19.095 -36.564 1.00 1.85 H new ATOM 1405 N ALA A 89 -10.471 15.728 -37.123 1.00 0.69 N ATOM 1406 CA ALA A 89 -10.427 15.585 -38.572 1.00 0.68 C ATOM 1407 C ALA A 89 -8.985 15.529 -39.059 1.00 0.62 C ATOM 1408 O ALA A 89 -8.276 16.535 -39.052 1.00 0.73 O ATOM 1409 CB ALA A 89 -11.172 16.732 -39.247 1.00 0.78 C ATOM 0 H ALA A 89 -9.615 16.100 -36.712 1.00 0.69 H new ATOM 0 HA ALA A 89 -10.919 14.650 -38.839 1.00 0.68 H new ATOM 0 HB1 ALA A 89 -11.128 16.608 -40.329 1.00 0.78 H new ATOM 0 HB2 ALA A 89 -12.213 16.730 -38.924 1.00 0.78 H new ATOM 0 HB3 ALA A 89 -10.708 17.679 -38.972 1.00 0.78 H new ATOM 1415 N PHE A 90 -8.544 14.345 -39.445 1.00 0.52 N ATOM 1416 CA PHE A 90 -7.202 14.165 -39.972 1.00 0.47 C ATOM 1417 C PHE A 90 -7.243 14.020 -41.489 1.00 0.48 C ATOM 1418 O PHE A 90 -8.124 13.356 -42.037 1.00 0.63 O ATOM 1419 CB PHE A 90 -6.552 12.932 -39.339 1.00 0.50 C ATOM 1420 CG PHE A 90 -5.112 12.733 -39.723 1.00 0.48 C ATOM 1421 CD1 PHE A 90 -4.114 13.493 -39.134 1.00 0.48 C ATOM 1422 CD2 PHE A 90 -4.757 11.783 -40.666 1.00 0.51 C ATOM 1423 CE1 PHE A 90 -2.789 13.310 -39.482 1.00 0.49 C ATOM 1424 CE2 PHE A 90 -3.435 11.596 -41.018 1.00 0.51 C ATOM 1425 CZ PHE A 90 -2.450 12.359 -40.425 1.00 0.49 C ATOM 0 H PHE A 90 -9.098 13.490 -39.403 1.00 0.52 H new ATOM 0 HA PHE A 90 -6.607 15.044 -39.724 1.00 0.47 H new ATOM 0 HB2 PHE A 90 -6.620 13.015 -38.254 1.00 0.50 H new ATOM 0 HB3 PHE A 90 -7.119 12.047 -39.627 1.00 0.50 H new ATOM 0 HD1 PHE A 90 -4.374 14.236 -38.395 1.00 0.48 H new ATOM 0 HD2 PHE A 90 -5.523 11.181 -41.132 1.00 0.51 H new ATOM 0 HE1 PHE A 90 -2.020 13.909 -39.018 1.00 0.49 H new ATOM 0 HE2 PHE A 90 -3.172 10.853 -41.757 1.00 0.51 H new ATOM 0 HZ PHE A 90 -1.415 12.213 -40.698 1.00 0.49 H new ATOM 1435 N SER A 91 -6.306 14.665 -42.164 1.00 0.44 N ATOM 1436 CA SER A 91 -6.173 14.538 -43.606 1.00 0.48 C ATOM 1437 C SER A 91 -4.696 14.478 -43.982 1.00 0.45 C ATOM 1438 O SER A 91 -3.864 15.108 -43.334 1.00 0.52 O ATOM 1439 CB SER A 91 -6.866 15.706 -44.308 1.00 0.56 C ATOM 1440 OG SER A 91 -8.244 15.757 -43.964 1.00 1.27 O ATOM 0 H SER A 91 -5.622 15.286 -41.733 1.00 0.44 H new ATOM 0 HA SER A 91 -6.654 13.616 -43.931 1.00 0.48 H new ATOM 0 HB2 SER A 91 -6.382 16.642 -44.029 1.00 0.56 H new ATOM 0 HB3 SER A 91 -6.760 15.602 -45.388 1.00 0.56 H new ATOM 0 HG SER A 91 -8.753 16.139 -44.709 1.00 1.27 H new ATOM 1446 N MET A 92 -4.368 13.706 -45.007 1.00 0.48 N ATOM 1447 CA MET A 92 -2.977 13.514 -45.387 1.00 0.48 C ATOM 1448 C MET A 92 -2.732 13.905 -46.841 1.00 0.53 C ATOM 1449 O MET A 92 -3.635 13.845 -47.679 1.00 0.62 O ATOM 1450 CB MET A 92 -2.550 12.054 -45.162 1.00 0.52 C ATOM 1451 CG MET A 92 -3.250 11.046 -46.068 1.00 0.61 C ATOM 1452 SD MET A 92 -5.000 10.824 -45.677 1.00 0.64 S ATOM 1453 CE MET A 92 -4.891 10.072 -44.056 1.00 0.64 C ATOM 0 H MET A 92 -5.041 13.205 -45.587 1.00 0.48 H new ATOM 0 HA MET A 92 -2.375 14.166 -44.753 1.00 0.48 H new ATOM 0 HB2 MET A 92 -1.474 11.975 -45.315 1.00 0.52 H new ATOM 0 HB3 MET A 92 -2.745 11.787 -44.123 1.00 0.52 H new ATOM 0 HG2 MET A 92 -3.155 11.372 -47.104 1.00 0.61 H new ATOM 0 HG3 MET A 92 -2.743 10.084 -45.989 1.00 0.61 H new ATOM 0 HE1 MET A 92 -5.525 9.186 -44.022 1.00 0.64 H new ATOM 0 HE2 MET A 92 -3.858 9.786 -43.856 1.00 0.64 H new ATOM 0 HE3 MET A 92 -5.223 10.785 -43.301 1.00 0.64 H new ATOM 1463 N LYS A 93 -1.506 14.323 -47.119 1.00 0.52 N ATOM 1464 CA LYS A 93 -1.061 14.604 -48.475 1.00 0.59 C ATOM 1465 C LYS A 93 0.076 13.651 -48.831 1.00 0.49 C ATOM 1466 O LYS A 93 1.133 13.680 -48.199 1.00 0.42 O ATOM 1467 CB LYS A 93 -0.588 16.057 -48.600 1.00 0.70 C ATOM 1468 CG LYS A 93 -1.677 17.095 -48.358 1.00 1.14 C ATOM 1469 CD LYS A 93 -2.784 17.004 -49.399 1.00 1.44 C ATOM 1470 CE LYS A 93 -3.791 18.137 -49.250 1.00 1.93 C ATOM 1471 NZ LYS A 93 -4.507 18.092 -47.948 1.00 2.23 N ATOM 0 H LYS A 93 -0.790 14.477 -46.409 1.00 0.52 H new ATOM 0 HA LYS A 93 -1.894 14.459 -49.163 1.00 0.59 H new ATOM 0 HB2 LYS A 93 0.222 16.225 -47.890 1.00 0.70 H new ATOM 0 HB3 LYS A 93 -0.174 16.207 -49.597 1.00 0.70 H new ATOM 0 HG2 LYS A 93 -2.100 16.953 -47.364 1.00 1.14 H new ATOM 0 HG3 LYS A 93 -1.239 18.093 -48.379 1.00 1.14 H new ATOM 0 HD2 LYS A 93 -2.348 17.033 -50.398 1.00 1.44 H new ATOM 0 HD3 LYS A 93 -3.296 16.047 -49.303 1.00 1.44 H new ATOM 0 HE2 LYS A 93 -3.275 19.093 -49.345 1.00 1.93 H new ATOM 0 HE3 LYS A 93 -4.516 18.084 -50.062 1.00 1.93 H new ATOM 0 HZ1 LYS A 93 -5.105 18.937 -47.851 1.00 2.23 H new ATOM 0 HZ2 LYS A 93 -5.102 17.240 -47.908 1.00 2.23 H new ATOM 0 HZ3 LYS A 93 -3.815 18.067 -47.172 1.00 2.23 H new ATOM 1485 N CYS A 94 -0.132 12.826 -49.847 1.00 0.56 N ATOM 1486 CA CYS A 94 0.801 11.749 -50.154 1.00 0.54 C ATOM 1487 C CYS A 94 1.968 12.242 -51.004 1.00 0.52 C ATOM 1488 O CYS A 94 1.784 12.712 -52.125 1.00 0.64 O ATOM 1489 CB CYS A 94 0.073 10.616 -50.883 1.00 0.73 C ATOM 1490 SG CYS A 94 -1.275 9.876 -49.932 1.00 1.38 S ATOM 0 H CYS A 94 -0.936 12.881 -50.472 1.00 0.56 H new ATOM 0 HA CYS A 94 1.203 11.380 -49.211 1.00 0.54 H new ATOM 0 HB2 CYS A 94 -0.326 11.000 -51.822 1.00 0.73 H new ATOM 0 HB3 CYS A 94 0.794 9.839 -51.137 1.00 0.73 H new ATOM 0 HG CYS A 94 -1.037 8.611 -49.754 1.00 1.38 H new ATOM 1496 N HIS A 95 3.172 12.149 -50.449 1.00 0.44 N ATOM 1497 CA HIS A 95 4.383 12.507 -51.181 1.00 0.50 C ATOM 1498 C HIS A 95 5.502 11.522 -50.867 1.00 0.44 C ATOM 1499 O HIS A 95 5.450 10.796 -49.871 1.00 0.44 O ATOM 1500 CB HIS A 95 4.847 13.928 -50.828 1.00 0.62 C ATOM 1501 CG HIS A 95 3.875 15.007 -51.197 1.00 0.95 C ATOM 1502 ND1 HIS A 95 3.014 15.582 -50.290 1.00 1.36 N ATOM 1503 CD2 HIS A 95 3.645 15.629 -52.379 1.00 1.84 C ATOM 1504 CE1 HIS A 95 2.296 16.511 -50.895 1.00 1.65 C ATOM 1505 NE2 HIS A 95 2.659 16.560 -52.162 1.00 1.98 N ATOM 0 H HIS A 95 3.336 11.829 -49.495 1.00 0.44 H new ATOM 0 HA HIS A 95 4.148 12.469 -52.245 1.00 0.50 H new ATOM 0 HB2 HIS A 95 5.038 13.979 -49.756 1.00 0.62 H new ATOM 0 HB3 HIS A 95 5.795 14.123 -51.330 1.00 0.62 H new ATOM 0 HD2 HIS A 95 4.144 15.430 -53.316 1.00 1.84 H new ATOM 0 HE1 HIS A 95 1.540 17.126 -50.431 1.00 1.65 H new ATOM 0 HE2 HIS A 95 2.271 17.187 -52.866 1.00 1.98 H new ATOM 1514 N THR A 96 6.506 11.488 -51.724 1.00 0.46 N ATOM 1515 CA THR A 96 7.682 10.679 -51.478 1.00 0.49 C ATOM 1516 C THR A 96 8.868 11.592 -51.194 1.00 0.46 C ATOM 1517 O THR A 96 8.777 12.807 -51.401 1.00 0.47 O ATOM 1518 CB THR A 96 8.018 9.783 -52.687 1.00 0.58 C ATOM 1519 OG1 THR A 96 8.483 10.589 -53.776 1.00 0.76 O ATOM 1520 CG2 THR A 96 6.802 8.983 -53.124 1.00 0.65 C ATOM 0 H THR A 96 6.529 12.013 -52.598 1.00 0.46 H new ATOM 0 HA THR A 96 7.476 10.036 -50.622 1.00 0.49 H new ATOM 0 HB THR A 96 8.801 9.086 -52.389 1.00 0.58 H new ATOM 0 HG1 THR A 96 7.717 10.910 -54.296 1.00 0.76 H new ATOM 0 HG21 THR A 96 7.065 8.359 -53.978 1.00 0.65 H new ATOM 0 HG22 THR A 96 6.468 8.350 -52.302 1.00 0.65 H new ATOM 0 HG23 THR A 96 6.000 9.665 -53.406 1.00 0.65 H new ATOM 1528 N PRO A 97 9.991 11.037 -50.707 1.00 0.47 N ATOM 1529 CA PRO A 97 11.223 11.808 -50.521 1.00 0.48 C ATOM 1530 C PRO A 97 11.696 12.428 -51.831 1.00 0.52 C ATOM 1531 O PRO A 97 12.326 13.483 -51.837 1.00 0.54 O ATOM 1532 CB PRO A 97 12.238 10.778 -50.008 1.00 0.53 C ATOM 1533 CG PRO A 97 11.635 9.444 -50.292 1.00 0.72 C ATOM 1534 CD PRO A 97 10.146 9.641 -50.275 1.00 0.51 C ATOM 0 HA PRO A 97 11.085 12.642 -49.833 1.00 0.48 H new ATOM 0 HB2 PRO A 97 13.198 10.889 -50.512 1.00 0.53 H new ATOM 0 HB3 PRO A 97 12.421 10.906 -48.941 1.00 0.53 H new ATOM 0 HG2 PRO A 97 11.966 9.066 -51.259 1.00 0.72 H new ATOM 0 HG3 PRO A 97 11.939 8.713 -49.543 1.00 0.72 H new ATOM 0 HD2 PRO A 97 9.640 8.951 -50.951 1.00 0.51 H new ATOM 0 HD3 PRO A 97 9.729 9.478 -49.281 1.00 0.51 H new ATOM 1542 N LEU A 98 11.366 11.773 -52.940 1.00 0.60 N ATOM 1543 CA LEU A 98 11.731 12.266 -54.258 1.00 0.71 C ATOM 1544 C LEU A 98 10.874 13.474 -54.615 1.00 0.66 C ATOM 1545 O LEU A 98 11.393 14.529 -54.977 1.00 0.71 O ATOM 1546 CB LEU A 98 11.561 11.175 -55.326 1.00 0.88 C ATOM 1547 CG LEU A 98 12.457 9.934 -55.183 1.00 1.34 C ATOM 1548 CD1 LEU A 98 13.896 10.335 -54.888 1.00 2.08 C ATOM 1549 CD2 LEU A 98 11.924 8.989 -54.114 1.00 1.78 C ATOM 0 H LEU A 98 10.844 10.896 -52.949 1.00 0.60 H new ATOM 0 HA LEU A 98 12.781 12.557 -54.232 1.00 0.71 H new ATOM 0 HB2 LEU A 98 10.521 10.848 -55.318 1.00 0.88 H new ATOM 0 HB3 LEU A 98 11.748 11.621 -56.303 1.00 0.88 H new ATOM 0 HG LEU A 98 12.442 9.401 -56.134 1.00 1.34 H new ATOM 0 HD11 LEU A 98 14.511 9.440 -54.791 1.00 2.08 H new ATOM 0 HD12 LEU A 98 14.277 10.950 -55.703 1.00 2.08 H new ATOM 0 HD13 LEU A 98 13.932 10.902 -53.958 1.00 2.08 H new ATOM 0 HD21 LEU A 98 12.579 8.121 -54.036 1.00 1.78 H new ATOM 0 HD22 LEU A 98 11.891 9.506 -53.155 1.00 1.78 H new ATOM 0 HD23 LEU A 98 10.920 8.663 -54.385 1.00 1.78 H new ATOM 1561 N GLU A 99 9.560 13.316 -54.484 1.00 0.65 N ATOM 1562 CA GLU A 99 8.622 14.392 -54.777 1.00 0.72 C ATOM 1563 C GLU A 99 8.905 15.620 -53.913 1.00 0.64 C ATOM 1564 O GLU A 99 9.049 16.727 -54.427 1.00 0.71 O ATOM 1565 CB GLU A 99 7.176 13.928 -54.561 1.00 0.88 C ATOM 1566 CG GLU A 99 6.505 13.350 -55.804 1.00 1.19 C ATOM 1567 CD GLU A 99 7.198 12.120 -56.357 1.00 1.91 C ATOM 1568 OE1 GLU A 99 7.005 11.020 -55.797 1.00 2.44 O ATOM 1569 OE2 GLU A 99 7.925 12.244 -57.363 1.00 2.69 O ATOM 0 H GLU A 99 9.121 12.449 -54.175 1.00 0.65 H new ATOM 0 HA GLU A 99 8.753 14.666 -55.824 1.00 0.72 H new ATOM 0 HB2 GLU A 99 7.163 13.175 -53.773 1.00 0.88 H new ATOM 0 HB3 GLU A 99 6.586 14.772 -54.204 1.00 0.88 H new ATOM 0 HG2 GLU A 99 5.472 13.097 -55.564 1.00 1.19 H new ATOM 0 HG3 GLU A 99 6.473 14.117 -56.578 1.00 1.19 H new ATOM 1576 N TYR A 100 9.012 15.415 -52.601 1.00 0.57 N ATOM 1577 CA TYR A 100 9.179 16.526 -51.667 1.00 0.63 C ATOM 1578 C TYR A 100 10.507 17.247 -51.878 1.00 0.66 C ATOM 1579 O TYR A 100 10.557 18.476 -51.873 1.00 0.76 O ATOM 1580 CB TYR A 100 9.077 16.043 -50.218 1.00 0.67 C ATOM 1581 CG TYR A 100 9.255 17.155 -49.204 1.00 0.85 C ATOM 1582 CD1 TYR A 100 8.270 18.116 -49.020 1.00 0.98 C ATOM 1583 CD2 TYR A 100 10.412 17.249 -48.439 1.00 0.96 C ATOM 1584 CE1 TYR A 100 8.431 19.139 -48.106 1.00 1.17 C ATOM 1585 CE2 TYR A 100 10.578 18.268 -47.520 1.00 1.15 C ATOM 1586 CZ TYR A 100 9.585 19.209 -47.359 1.00 1.24 C ATOM 1587 OH TYR A 100 9.748 20.228 -46.445 1.00 1.46 O ATOM 0 H TYR A 100 8.986 14.494 -52.163 1.00 0.57 H new ATOM 0 HA TYR A 100 8.372 17.232 -51.865 1.00 0.63 H new ATOM 0 HB2 TYR A 100 8.105 15.574 -50.066 1.00 0.67 H new ATOM 0 HB3 TYR A 100 9.832 15.277 -50.043 1.00 0.67 H new ATOM 0 HD1 TYR A 100 7.362 18.063 -49.602 1.00 0.98 H new ATOM 0 HD2 TYR A 100 11.193 16.514 -48.565 1.00 0.96 H new ATOM 0 HE1 TYR A 100 7.656 19.880 -47.978 1.00 1.17 H new ATOM 0 HE2 TYR A 100 11.482 18.326 -46.931 1.00 1.15 H new ATOM 0 HH TYR A 100 10.616 20.133 -46.000 1.00 1.46 H new ATOM 1597 N ASP A 101 11.582 16.486 -52.069 1.00 0.66 N ATOM 1598 CA ASP A 101 12.909 17.080 -52.227 1.00 0.78 C ATOM 1599 C ASP A 101 12.965 17.954 -53.475 1.00 0.81 C ATOM 1600 O ASP A 101 13.656 18.973 -53.505 1.00 0.93 O ATOM 1601 CB ASP A 101 13.995 16.006 -52.292 1.00 0.88 C ATOM 1602 CG ASP A 101 15.391 16.598 -52.378 1.00 1.07 C ATOM 1603 OD1 ASP A 101 15.889 17.120 -51.357 1.00 1.23 O ATOM 1604 OD2 ASP A 101 16.006 16.521 -53.465 1.00 1.14 O ATOM 0 H ASP A 101 11.563 15.467 -52.118 1.00 0.66 H new ATOM 0 HA ASP A 101 13.095 17.702 -51.352 1.00 0.78 H new ATOM 0 HB2 ASP A 101 13.927 15.370 -51.409 1.00 0.88 H new ATOM 0 HB3 ASP A 101 13.820 15.368 -53.158 1.00 0.88 H new ATOM 1609 N LYS A 102 12.227 17.563 -54.504 1.00 0.75 N ATOM 1610 CA LYS A 102 12.191 18.335 -55.735 1.00 0.84 C ATOM 1611 C LYS A 102 11.279 19.557 -55.595 1.00 0.89 C ATOM 1612 O LYS A 102 11.345 20.481 -56.406 1.00 1.05 O ATOM 1613 CB LYS A 102 11.770 17.467 -56.928 1.00 0.88 C ATOM 1614 CG LYS A 102 12.941 16.863 -57.713 1.00 1.03 C ATOM 1615 CD LYS A 102 13.362 15.485 -57.208 1.00 1.09 C ATOM 1616 CE LYS A 102 14.162 15.548 -55.914 1.00 1.86 C ATOM 1617 NZ LYS A 102 15.526 16.112 -56.107 1.00 2.66 N ATOM 0 H LYS A 102 11.650 16.722 -54.511 1.00 0.75 H new ATOM 0 HA LYS A 102 13.203 18.693 -55.927 1.00 0.84 H new ATOM 0 HB2 LYS A 102 11.134 16.659 -56.568 1.00 0.88 H new ATOM 0 HB3 LYS A 102 11.166 18.070 -57.606 1.00 0.88 H new ATOM 0 HG2 LYS A 102 12.664 16.787 -58.764 1.00 1.03 H new ATOM 0 HG3 LYS A 102 13.794 17.539 -57.656 1.00 1.03 H new ATOM 0 HD2 LYS A 102 12.473 14.874 -57.051 1.00 1.09 H new ATOM 0 HD3 LYS A 102 13.958 14.989 -57.974 1.00 1.09 H new ATOM 0 HE2 LYS A 102 13.622 16.155 -55.187 1.00 1.86 H new ATOM 0 HE3 LYS A 102 14.244 14.546 -55.494 1.00 1.86 H new ATOM 0 HZ1 LYS A 102 16.038 16.100 -55.202 1.00 2.66 H new ATOM 0 HZ2 LYS A 102 16.043 15.539 -56.804 1.00 2.66 H new ATOM 0 HZ3 LYS A 102 15.452 17.091 -56.450 1.00 2.66 H new ATOM 1631 N LEU A 103 10.440 19.566 -54.561 1.00 0.83 N ATOM 1632 CA LEU A 103 9.592 20.722 -54.267 1.00 0.97 C ATOM 1633 C LEU A 103 10.421 21.823 -53.618 1.00 1.12 C ATOM 1634 O LEU A 103 10.429 22.968 -54.076 1.00 1.31 O ATOM 1635 CB LEU A 103 8.434 20.332 -53.341 1.00 0.98 C ATOM 1636 CG LEU A 103 7.464 19.293 -53.902 1.00 0.91 C ATOM 1637 CD1 LEU A 103 6.381 18.969 -52.885 1.00 1.01 C ATOM 1638 CD2 LEU A 103 6.851 19.784 -55.201 1.00 1.00 C ATOM 0 H LEU A 103 10.328 18.787 -53.912 1.00 0.83 H new ATOM 0 HA LEU A 103 9.175 21.086 -55.206 1.00 0.97 H new ATOM 0 HB2 LEU A 103 8.850 19.949 -52.409 1.00 0.98 H new ATOM 0 HB3 LEU A 103 7.871 21.232 -53.093 1.00 0.98 H new ATOM 0 HG LEU A 103 8.020 18.379 -54.110 1.00 0.91 H new ATOM 0 HD11 LEU A 103 5.700 18.227 -53.303 1.00 1.01 H new ATOM 0 HD12 LEU A 103 6.839 18.571 -51.979 1.00 1.01 H new ATOM 0 HD13 LEU A 103 5.826 19.876 -52.643 1.00 1.01 H new ATOM 0 HD21 LEU A 103 6.163 19.031 -55.586 1.00 1.00 H new ATOM 0 HD22 LEU A 103 6.309 20.712 -55.020 1.00 1.00 H new ATOM 0 HD23 LEU A 103 7.640 19.962 -55.931 1.00 1.00 H new