USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=18 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 Set 1.1: A 73 HIS : no HD1:sc= -0.0624 K(o=-1.3,f=-1.8) USER MOD Set 1.2: A 77 ASN : amide:sc= -1.19 K(o=-1.3,f=-0.43) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.79! C(o=-1.8!,f=-6.8!) USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= 1.26 (180deg=1) USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= 0.208! (180deg=-0.419) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 83:sc= 1.28 USER MOD Single : A 38 LYS NZ :NH3+ 163:sc= -0.0421 (180deg=-0.344) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00581 USER MOD Single : A 47 LYS NZ :NH3+ -152:sc= 1.23 (180deg=1.09) USER MOD Single : A 54 SER OG : rot 36:sc= 0.239 USER MOD Single : A 61 SER OG : rot 98:sc= 1.52 USER MOD Single : A 62 ASN : amide:sc= -2.09 K(o=-2.1,f=-0.12) USER MOD Single : A 63 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.085) 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 78 THR OG1 : rot 84:sc= 1.21 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.29) USER MOD Single : A 86 ASN : amide:sc= -0.0459 X(o=-0.046,f=-0.48) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot -94:sc= 1.36 USER MOD Single : A 92 MET CE :methyl -153:sc= -0.118 (180deg=-0.557) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= 0.0795! C(o=0.079!,f=-4.9!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -175:sc= 1.04 (180deg=0.871) USER MOD ----------------------------------------------------------------- ATOM 358 N CYS A 24 1.846 14.340 -24.963 1.00 1.24 N ATOM 359 CA CYS A 24 0.764 15.035 -25.635 1.00 0.95 C ATOM 360 C CYS A 24 0.136 14.123 -26.680 1.00 0.84 C ATOM 361 O CYS A 24 0.840 13.353 -27.337 1.00 0.77 O ATOM 362 CB CYS A 24 1.300 16.308 -26.289 1.00 0.99 C ATOM 363 SG CYS A 24 2.239 17.365 -25.162 1.00 1.71 S ATOM 0 HA CYS A 24 -0.000 15.309 -24.908 1.00 0.95 H new ATOM 0 HB2 CYS A 24 1.936 16.033 -27.130 1.00 0.99 H new ATOM 0 HB3 CYS A 24 0.464 16.877 -26.695 1.00 0.99 H new ATOM 0 HG CYS A 24 2.656 18.418 -25.801 1.00 1.71 H new ATOM 369 N ILE A 25 -1.181 14.213 -26.837 1.00 0.89 N ATOM 370 CA ILE A 25 -1.900 13.341 -27.759 1.00 0.88 C ATOM 371 C ILE A 25 -1.411 13.543 -29.195 1.00 0.74 C ATOM 372 O ILE A 25 -1.370 12.601 -29.979 1.00 0.71 O ATOM 373 CB ILE A 25 -3.436 13.554 -27.674 1.00 1.05 C ATOM 374 CG1 ILE A 25 -4.176 12.423 -28.395 1.00 1.11 C ATOM 375 CG2 ILE A 25 -3.844 14.903 -28.254 1.00 1.09 C ATOM 376 CD1 ILE A 25 -3.972 11.061 -27.762 1.00 1.37 C ATOM 0 H ILE A 25 -1.771 14.880 -26.339 1.00 0.89 H new ATOM 0 HA ILE A 25 -1.691 12.314 -27.461 1.00 0.88 H new ATOM 0 HB ILE A 25 -3.713 13.543 -26.620 1.00 1.05 H new ATOM 0 HG12 ILE A 25 -5.242 12.650 -28.411 1.00 1.11 H new ATOM 0 HG13 ILE A 25 -3.842 12.386 -29.432 1.00 1.11 H new ATOM 0 HG21 ILE A 25 -4.925 15.019 -28.179 1.00 1.09 H new ATOM 0 HG22 ILE A 25 -3.353 15.702 -27.698 1.00 1.09 H new ATOM 0 HG23 ILE A 25 -3.546 14.954 -29.301 1.00 1.09 H new ATOM 0 HD11 ILE A 25 -4.526 10.311 -28.326 1.00 1.37 H new ATOM 0 HD12 ILE A 25 -2.911 10.811 -27.770 1.00 1.37 H new ATOM 0 HD13 ILE A 25 -4.332 11.080 -26.733 1.00 1.37 H new ATOM 388 N GLN A 26 -1.000 14.767 -29.520 1.00 0.69 N ATOM 389 CA GLN A 26 -0.500 15.076 -30.856 1.00 0.64 C ATOM 390 C GLN A 26 0.770 14.279 -31.155 1.00 0.56 C ATOM 391 O GLN A 26 0.977 13.815 -32.275 1.00 0.59 O ATOM 392 CB GLN A 26 -0.233 16.579 -30.987 1.00 0.70 C ATOM 393 CG GLN A 26 0.137 17.031 -32.396 1.00 0.80 C ATOM 394 CD GLN A 26 -0.982 16.825 -33.406 1.00 1.23 C ATOM 395 OE1 GLN A 26 -1.784 15.899 -33.296 1.00 1.75 O ATOM 396 NE2 GLN A 26 -1.052 17.700 -34.396 1.00 1.54 N ATOM 0 H GLN A 26 -1.004 15.559 -28.877 1.00 0.69 H new ATOM 0 HA GLN A 26 -1.260 14.791 -31.584 1.00 0.64 H new ATOM 0 HB2 GLN A 26 -1.121 17.123 -30.665 1.00 0.70 H new ATOM 0 HB3 GLN A 26 0.573 16.853 -30.307 1.00 0.70 H new ATOM 0 HG2 GLN A 26 0.406 18.087 -32.373 1.00 0.80 H new ATOM 0 HG3 GLN A 26 1.020 16.484 -32.726 1.00 0.80 H new ATOM 0 HE21 GLN A 26 -0.370 18.456 -34.457 1.00 1.54 H new ATOM 0 HE22 GLN A 26 -1.788 17.618 -35.098 1.00 1.54 H new ATOM 405 N LYS A 27 1.609 14.105 -30.136 1.00 0.56 N ATOM 406 CA LYS A 27 2.832 13.325 -30.281 1.00 0.60 C ATOM 407 C LYS A 27 2.495 11.841 -30.404 1.00 0.58 C ATOM 408 O LYS A 27 3.172 11.095 -31.112 1.00 0.58 O ATOM 409 CB LYS A 27 3.772 13.566 -29.090 1.00 0.75 C ATOM 410 CG LYS A 27 5.044 12.728 -29.129 1.00 1.27 C ATOM 411 CD LYS A 27 5.883 13.023 -30.364 1.00 1.53 C ATOM 412 CE LYS A 27 7.014 12.017 -30.513 1.00 1.93 C ATOM 413 NZ LYS A 27 7.839 12.272 -31.722 1.00 2.50 N ATOM 0 H LYS A 27 1.463 14.493 -29.204 1.00 0.56 H new ATOM 0 HA LYS A 27 3.344 13.645 -31.189 1.00 0.60 H new ATOM 0 HB2 LYS A 27 4.044 14.621 -29.062 1.00 0.75 H new ATOM 0 HB3 LYS A 27 3.235 13.351 -28.166 1.00 0.75 H new ATOM 0 HG2 LYS A 27 5.635 12.924 -28.234 1.00 1.27 H new ATOM 0 HG3 LYS A 27 4.782 11.670 -29.113 1.00 1.27 H new ATOM 0 HD2 LYS A 27 5.250 12.997 -31.251 1.00 1.53 H new ATOM 0 HD3 LYS A 27 6.295 14.030 -30.295 1.00 1.53 H new ATOM 0 HE2 LYS A 27 7.649 12.054 -29.628 1.00 1.93 H new ATOM 0 HE3 LYS A 27 6.598 11.011 -30.565 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 8.058 11.369 -32.190 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 7.313 12.883 -32.379 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 8.724 12.742 -31.445 1.00 2.50 H new ATOM 427 N VAL A 28 1.437 11.425 -29.714 1.00 0.62 N ATOM 428 CA VAL A 28 0.966 10.046 -29.785 1.00 0.68 C ATOM 429 C VAL A 28 0.551 9.704 -31.213 1.00 0.62 C ATOM 430 O VAL A 28 0.993 8.701 -31.774 1.00 0.62 O ATOM 431 CB VAL A 28 -0.223 9.800 -28.828 1.00 0.77 C ATOM 432 CG1 VAL A 28 -0.702 8.357 -28.913 1.00 1.03 C ATOM 433 CG2 VAL A 28 0.160 10.149 -27.397 1.00 1.04 C ATOM 0 H VAL A 28 0.889 12.025 -29.098 1.00 0.62 H new ATOM 0 HA VAL A 28 1.790 9.402 -29.478 1.00 0.68 H new ATOM 0 HB VAL A 28 -1.043 10.449 -29.136 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -1.539 8.211 -28.230 1.00 1.03 H new ATOM 0 HG12 VAL A 28 -1.023 8.140 -29.932 1.00 1.03 H new ATOM 0 HG13 VAL A 28 0.112 7.687 -28.638 1.00 1.03 H new ATOM 0 HG21 VAL A 28 -0.690 9.969 -26.739 1.00 1.04 H new ATOM 0 HG22 VAL A 28 1.000 9.529 -27.083 1.00 1.04 H new ATOM 0 HG23 VAL A 28 0.445 11.200 -27.343 1.00 1.04 H new ATOM 443 N ILE A 29 -0.288 10.559 -31.793 1.00 0.60 N ATOM 444 CA ILE A 29 -0.714 10.406 -33.180 1.00 0.57 C ATOM 445 C ILE A 29 0.500 10.412 -34.107 1.00 0.52 C ATOM 446 O ILE A 29 0.671 9.513 -34.930 1.00 0.51 O ATOM 447 CB ILE A 29 -1.712 11.527 -33.598 1.00 0.62 C ATOM 448 CG1 ILE A 29 -3.146 11.178 -33.180 1.00 0.75 C ATOM 449 CG2 ILE A 29 -1.666 11.783 -35.098 1.00 0.67 C ATOM 450 CD1 ILE A 29 -3.350 11.039 -31.689 1.00 0.79 C ATOM 0 H ILE A 29 -0.688 11.369 -31.320 1.00 0.60 H new ATOM 0 HA ILE A 29 -1.229 9.449 -33.267 1.00 0.57 H new ATOM 0 HB ILE A 29 -1.404 12.435 -33.080 1.00 0.62 H new ATOM 0 HG12 ILE A 29 -3.818 11.950 -33.555 1.00 0.75 H new ATOM 0 HG13 ILE A 29 -3.434 10.243 -33.662 1.00 0.75 H new ATOM 0 HG21 ILE A 29 -2.374 12.571 -35.355 1.00 0.67 H new ATOM 0 HG22 ILE A 29 -0.661 12.092 -35.384 1.00 0.67 H new ATOM 0 HG23 ILE A 29 -1.930 10.870 -35.631 1.00 0.67 H new ATOM 0 HD11 ILE A 29 -4.392 10.792 -31.486 1.00 0.79 H new ATOM 0 HD12 ILE A 29 -2.708 10.246 -31.306 1.00 0.79 H new ATOM 0 HD13 ILE A 29 -3.098 11.979 -31.198 1.00 0.79 H new ATOM 462 N GLU A 30 1.356 11.417 -33.932 1.00 0.53 N ATOM 463 CA GLU A 30 2.541 11.584 -34.765 1.00 0.55 C ATOM 464 C GLU A 30 3.390 10.316 -34.794 1.00 0.55 C ATOM 465 O GLU A 30 3.720 9.804 -35.862 1.00 0.58 O ATOM 466 CB GLU A 30 3.390 12.742 -34.238 1.00 0.64 C ATOM 467 CG GLU A 30 4.595 13.062 -35.106 1.00 0.99 C ATOM 468 CD GLU A 30 5.688 13.776 -34.339 1.00 1.49 C ATOM 469 OE1 GLU A 30 5.610 15.011 -34.188 1.00 1.84 O ATOM 470 OE2 GLU A 30 6.630 13.098 -33.878 1.00 2.20 O ATOM 0 H GLU A 30 1.247 12.133 -33.214 1.00 0.53 H new ATOM 0 HA GLU A 30 2.203 11.797 -35.779 1.00 0.55 H new ATOM 0 HB2 GLU A 30 2.765 13.631 -34.158 1.00 0.64 H new ATOM 0 HB3 GLU A 30 3.732 12.501 -33.232 1.00 0.64 H new ATOM 0 HG2 GLU A 30 4.993 12.138 -35.524 1.00 0.99 H new ATOM 0 HG3 GLU A 30 4.280 13.682 -35.945 1.00 0.99 H new ATOM 477 N ASP A 31 3.719 9.802 -33.614 1.00 0.57 N ATOM 478 CA ASP A 31 4.647 8.680 -33.499 1.00 0.64 C ATOM 479 C ASP A 31 4.056 7.388 -34.047 1.00 0.57 C ATOM 480 O ASP A 31 4.743 6.638 -34.743 1.00 0.61 O ATOM 481 CB ASP A 31 5.073 8.477 -32.044 1.00 0.80 C ATOM 482 CG ASP A 31 6.000 7.288 -31.874 1.00 1.05 C ATOM 483 OD1 ASP A 31 7.201 7.409 -32.196 1.00 1.17 O ATOM 484 OD2 ASP A 31 5.531 6.226 -31.417 1.00 1.67 O ATOM 0 H ASP A 31 3.358 10.143 -32.723 1.00 0.57 H new ATOM 0 HA ASP A 31 5.521 8.930 -34.100 1.00 0.64 H new ATOM 0 HB2 ASP A 31 5.572 9.377 -31.685 1.00 0.80 H new ATOM 0 HB3 ASP A 31 4.187 8.335 -31.425 1.00 0.80 H new ATOM 489 N LYS A 32 2.789 7.123 -33.753 1.00 0.53 N ATOM 490 CA LYS A 32 2.184 5.858 -34.151 1.00 0.55 C ATOM 491 C LYS A 32 2.058 5.749 -35.670 1.00 0.48 C ATOM 492 O LYS A 32 2.419 4.722 -36.247 1.00 0.52 O ATOM 493 CB LYS A 32 0.833 5.642 -33.461 1.00 0.67 C ATOM 494 CG LYS A 32 0.965 5.447 -31.957 1.00 0.97 C ATOM 495 CD LYS A 32 -0.309 4.912 -31.310 1.00 1.09 C ATOM 496 CE LYS A 32 -1.464 5.895 -31.396 1.00 1.51 C ATOM 497 NZ LYS A 32 -2.266 5.711 -32.626 1.00 2.03 N ATOM 0 H LYS A 32 2.169 7.756 -33.248 1.00 0.53 H new ATOM 0 HA LYS A 32 2.851 5.061 -33.822 1.00 0.55 H new ATOM 0 HB2 LYS A 32 0.189 6.499 -33.657 1.00 0.67 H new ATOM 0 HB3 LYS A 32 0.344 4.770 -33.895 1.00 0.67 H new ATOM 0 HG2 LYS A 32 1.785 4.757 -31.756 1.00 0.97 H new ATOM 0 HG3 LYS A 32 1.229 6.398 -31.495 1.00 0.97 H new ATOM 0 HD2 LYS A 32 -0.594 3.978 -31.795 1.00 1.09 H new ATOM 0 HD3 LYS A 32 -0.111 4.680 -30.264 1.00 1.09 H new ATOM 0 HE2 LYS A 32 -2.107 5.774 -30.524 1.00 1.51 H new ATOM 0 HE3 LYS A 32 -1.075 6.913 -31.367 1.00 1.51 H new ATOM 0 HZ1 LYS A 32 -2.885 6.535 -32.763 1.00 2.03 H new ATOM 0 HZ2 LYS A 32 -1.631 5.615 -33.444 1.00 2.03 H new ATOM 0 HZ3 LYS A 32 -2.847 4.853 -32.537 1.00 2.03 H new ATOM 511 N LEU A 33 1.583 6.802 -36.329 1.00 0.44 N ATOM 512 CA LEU A 33 1.488 6.775 -37.785 1.00 0.44 C ATOM 513 C LEU A 33 2.874 6.873 -38.427 1.00 0.46 C ATOM 514 O LEU A 33 3.096 6.353 -39.523 1.00 0.51 O ATOM 515 CB LEU A 33 0.535 7.863 -38.318 1.00 0.47 C ATOM 516 CG LEU A 33 0.852 9.318 -37.946 1.00 0.48 C ATOM 517 CD1 LEU A 33 1.939 9.900 -38.838 1.00 0.57 C ATOM 518 CD2 LEU A 33 -0.409 10.161 -38.035 1.00 0.55 C ATOM 0 H LEU A 33 1.264 7.666 -35.891 1.00 0.44 H new ATOM 0 HA LEU A 33 1.059 5.814 -38.068 1.00 0.44 H new ATOM 0 HB2 LEU A 33 0.513 7.790 -39.405 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -0.470 7.635 -37.963 1.00 0.47 H new ATOM 0 HG LEU A 33 1.224 9.330 -36.922 1.00 0.48 H new ATOM 0 HD11 LEU A 33 2.137 10.931 -38.545 1.00 0.57 H new ATOM 0 HD12 LEU A 33 2.850 9.312 -38.732 1.00 0.57 H new ATOM 0 HD13 LEU A 33 1.610 9.875 -39.877 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -0.177 11.192 -37.770 1.00 0.55 H new ATOM 0 HD22 LEU A 33 -0.798 10.127 -39.053 1.00 0.55 H new ATOM 0 HD23 LEU A 33 -1.158 9.769 -37.347 1.00 0.55 H new ATOM 530 N SER A 34 3.810 7.520 -37.734 1.00 0.47 N ATOM 531 CA SER A 34 5.188 7.599 -38.206 1.00 0.53 C ATOM 532 C SER A 34 5.819 6.212 -38.199 1.00 0.54 C ATOM 533 O SER A 34 6.508 5.827 -39.138 1.00 0.59 O ATOM 534 CB SER A 34 6.012 8.559 -37.339 1.00 0.60 C ATOM 535 OG SER A 34 7.350 8.650 -37.800 1.00 1.29 O ATOM 0 H SER A 34 3.639 7.995 -36.848 1.00 0.47 H new ATOM 0 HA SER A 34 5.180 7.985 -39.225 1.00 0.53 H new ATOM 0 HB2 SER A 34 5.553 9.548 -37.350 1.00 0.60 H new ATOM 0 HB3 SER A 34 6.004 8.216 -36.304 1.00 0.60 H new ATOM 0 HG SER A 34 7.851 9.270 -37.230 1.00 1.29 H new ATOM 541 N SER A 35 5.552 5.453 -37.146 1.00 0.55 N ATOM 542 CA SER A 35 6.074 4.100 -37.024 1.00 0.62 C ATOM 543 C SER A 35 5.455 3.184 -38.083 1.00 0.59 C ATOM 544 O SER A 35 6.064 2.203 -38.510 1.00 0.65 O ATOM 545 CB SER A 35 5.796 3.562 -35.621 1.00 0.72 C ATOM 546 OG SER A 35 6.293 4.449 -34.629 1.00 0.78 O ATOM 0 H SER A 35 4.974 5.753 -36.361 1.00 0.55 H new ATOM 0 HA SER A 35 7.152 4.124 -37.187 1.00 0.62 H new ATOM 0 HB2 SER A 35 4.723 3.424 -35.486 1.00 0.72 H new ATOM 0 HB3 SER A 35 6.260 2.583 -35.504 1.00 0.72 H new ATOM 0 HG SER A 35 5.640 5.163 -34.472 1.00 0.78 H new ATOM 552 N ALA A 36 4.243 3.524 -38.504 1.00 0.54 N ATOM 553 CA ALA A 36 3.517 2.732 -39.486 1.00 0.57 C ATOM 554 C ALA A 36 4.037 2.966 -40.902 1.00 0.51 C ATOM 555 O ALA A 36 4.394 2.022 -41.604 1.00 0.52 O ATOM 556 CB ALA A 36 2.033 3.053 -39.415 1.00 0.64 C ATOM 0 H ALA A 36 3.740 4.349 -38.177 1.00 0.54 H new ATOM 0 HA ALA A 36 3.675 1.680 -39.247 1.00 0.57 H new ATOM 0 HB1 ALA A 36 1.496 2.457 -40.153 1.00 0.64 H new ATOM 0 HB2 ALA A 36 1.658 2.821 -38.418 1.00 0.64 H new ATOM 0 HB3 ALA A 36 1.879 4.112 -39.623 1.00 0.64 H new ATOM 562 N LEU A 37 4.081 4.228 -41.315 1.00 0.50 N ATOM 563 CA LEU A 37 4.440 4.571 -42.690 1.00 0.53 C ATOM 564 C LEU A 37 5.952 4.700 -42.857 1.00 0.52 C ATOM 565 O LEU A 37 6.483 4.499 -43.953 1.00 0.62 O ATOM 566 CB LEU A 37 3.759 5.881 -43.095 1.00 0.57 C ATOM 567 CG LEU A 37 2.233 5.893 -42.963 1.00 0.70 C ATOM 568 CD1 LEU A 37 1.676 7.262 -43.323 1.00 0.86 C ATOM 569 CD2 LEU A 37 1.610 4.814 -43.838 1.00 0.94 C ATOM 0 H LEU A 37 3.873 5.030 -40.720 1.00 0.50 H new ATOM 0 HA LEU A 37 4.097 3.764 -43.338 1.00 0.53 H new ATOM 0 HB2 LEU A 37 4.166 6.687 -42.485 1.00 0.57 H new ATOM 0 HB3 LEU A 37 4.020 6.102 -44.130 1.00 0.57 H new ATOM 0 HG LEU A 37 1.977 5.681 -41.925 1.00 0.70 H new ATOM 0 HD11 LEU A 37 0.591 7.251 -43.223 1.00 0.86 H new ATOM 0 HD12 LEU A 37 2.094 8.013 -42.653 1.00 0.86 H new ATOM 0 HD13 LEU A 37 1.943 7.505 -44.351 1.00 0.86 H new ATOM 0 HD21 LEU A 37 0.526 4.839 -43.730 1.00 0.94 H new ATOM 0 HD22 LEU A 37 1.875 4.993 -44.880 1.00 0.94 H new ATOM 0 HD23 LEU A 37 1.983 3.837 -43.531 1.00 0.94 H new ATOM 581 N LYS A 38 6.628 5.031 -41.762 1.00 0.47 N ATOM 582 CA LYS A 38 8.073 5.260 -41.753 1.00 0.52 C ATOM 583 C LYS A 38 8.461 6.348 -42.756 1.00 0.47 C ATOM 584 O LYS A 38 8.964 6.060 -43.846 1.00 0.54 O ATOM 585 CB LYS A 38 8.840 3.965 -42.042 1.00 0.70 C ATOM 586 CG LYS A 38 10.330 4.078 -41.769 1.00 1.32 C ATOM 587 CD LYS A 38 11.069 2.807 -42.143 1.00 1.93 C ATOM 588 CE LYS A 38 12.527 2.881 -41.727 1.00 2.67 C ATOM 589 NZ LYS A 38 12.677 2.947 -40.248 1.00 3.36 N ATOM 0 H LYS A 38 6.189 5.149 -40.849 1.00 0.47 H new ATOM 0 HA LYS A 38 8.347 5.601 -40.755 1.00 0.52 H new ATOM 0 HB2 LYS A 38 8.426 3.161 -41.433 1.00 0.70 H new ATOM 0 HB3 LYS A 38 8.688 3.686 -43.085 1.00 0.70 H new ATOM 0 HG2 LYS A 38 10.740 4.916 -42.332 1.00 1.32 H new ATOM 0 HG3 LYS A 38 10.491 4.295 -40.713 1.00 1.32 H new ATOM 0 HD2 LYS A 38 10.594 1.951 -41.663 1.00 1.93 H new ATOM 0 HD3 LYS A 38 11.002 2.647 -43.219 1.00 1.93 H new ATOM 0 HE2 LYS A 38 13.058 2.009 -42.108 1.00 2.67 H new ATOM 0 HE3 LYS A 38 12.990 3.758 -42.179 1.00 2.67 H new ATOM 0 HZ1 LYS A 38 13.655 2.709 -39.987 1.00 3.36 H new ATOM 0 HZ2 LYS A 38 12.455 3.908 -39.919 1.00 3.36 H new ATOM 0 HZ3 LYS A 38 12.025 2.270 -39.802 1.00 3.36 H new ATOM 603 N PRO A 39 8.190 7.615 -42.418 1.00 0.46 N ATOM 604 CA PRO A 39 8.516 8.749 -43.258 1.00 0.47 C ATOM 605 C PRO A 39 9.862 9.378 -42.898 1.00 0.51 C ATOM 606 O PRO A 39 10.244 9.437 -41.728 1.00 0.63 O ATOM 607 CB PRO A 39 7.372 9.726 -42.962 1.00 0.50 C ATOM 608 CG PRO A 39 6.779 9.296 -41.650 1.00 0.54 C ATOM 609 CD PRO A 39 7.518 8.059 -41.197 1.00 0.52 C ATOM 0 HA PRO A 39 8.610 8.472 -44.308 1.00 0.47 H new ATOM 0 HB2 PRO A 39 7.740 10.750 -42.905 1.00 0.50 H new ATOM 0 HB3 PRO A 39 6.624 9.700 -43.754 1.00 0.50 H new ATOM 0 HG2 PRO A 39 6.872 10.090 -40.909 1.00 0.54 H new ATOM 0 HG3 PRO A 39 5.715 9.087 -41.761 1.00 0.54 H new ATOM 0 HD2 PRO A 39 8.230 8.282 -40.402 1.00 0.52 H new ATOM 0 HD3 PRO A 39 6.837 7.300 -40.812 1.00 0.52 H new ATOM 617 N THR A 40 10.574 9.851 -43.908 1.00 0.52 N ATOM 618 CA THR A 40 11.815 10.571 -43.688 1.00 0.61 C ATOM 619 C THR A 40 11.505 12.017 -43.314 1.00 0.62 C ATOM 620 O THR A 40 12.302 12.698 -42.669 1.00 0.73 O ATOM 621 CB THR A 40 12.711 10.526 -44.941 1.00 0.67 C ATOM 622 OG1 THR A 40 11.954 10.905 -46.098 1.00 0.70 O ATOM 623 CG2 THR A 40 13.286 9.132 -45.142 1.00 0.71 C ATOM 0 H THR A 40 10.312 9.749 -44.889 1.00 0.52 H new ATOM 0 HA THR A 40 12.356 10.092 -42.872 1.00 0.61 H new ATOM 0 HB THR A 40 13.534 11.227 -44.799 1.00 0.67 H new ATOM 0 HG1 THR A 40 12.530 10.876 -46.890 1.00 0.70 H new ATOM 0 HG21 THR A 40 13.915 9.123 -46.032 1.00 0.71 H new ATOM 0 HG22 THR A 40 13.883 8.856 -44.273 1.00 0.71 H new ATOM 0 HG23 THR A 40 12.472 8.417 -45.266 1.00 0.71 H new ATOM 631 N PHE A 41 10.326 12.462 -43.726 1.00 0.54 N ATOM 632 CA PHE A 41 9.825 13.780 -43.373 1.00 0.55 C ATOM 633 C PHE A 41 8.339 13.683 -43.052 1.00 0.48 C ATOM 634 O PHE A 41 7.558 13.167 -43.853 1.00 0.45 O ATOM 635 CB PHE A 41 10.065 14.768 -44.521 1.00 0.57 C ATOM 636 CG PHE A 41 9.601 16.172 -44.237 1.00 0.62 C ATOM 637 CD1 PHE A 41 10.424 17.065 -43.570 1.00 0.69 C ATOM 638 CD2 PHE A 41 8.345 16.599 -44.644 1.00 0.62 C ATOM 639 CE1 PHE A 41 10.004 18.357 -43.314 1.00 0.76 C ATOM 640 CE2 PHE A 41 7.919 17.888 -44.389 1.00 0.70 C ATOM 641 CZ PHE A 41 8.750 18.768 -43.723 1.00 0.75 C ATOM 0 H PHE A 41 9.692 11.920 -44.313 1.00 0.54 H new ATOM 0 HA PHE A 41 10.358 14.147 -42.496 1.00 0.55 H new ATOM 0 HB2 PHE A 41 11.131 14.789 -44.750 1.00 0.57 H new ATOM 0 HB3 PHE A 41 9.555 14.402 -45.412 1.00 0.57 H new ATOM 0 HD1 PHE A 41 11.405 16.748 -43.246 1.00 0.69 H new ATOM 0 HD2 PHE A 41 7.693 15.915 -45.167 1.00 0.62 H new ATOM 0 HE1 PHE A 41 10.655 19.044 -42.795 1.00 0.76 H new ATOM 0 HE2 PHE A 41 6.938 18.207 -44.710 1.00 0.70 H new ATOM 0 HZ PHE A 41 8.420 19.776 -43.522 1.00 0.75 H new ATOM 651 N LEU A 42 7.961 14.149 -41.872 1.00 0.50 N ATOM 652 CA LEU A 42 6.572 14.114 -41.444 1.00 0.48 C ATOM 653 C LEU A 42 6.252 15.384 -40.667 1.00 0.54 C ATOM 654 O LEU A 42 6.864 15.663 -39.635 1.00 0.64 O ATOM 655 CB LEU A 42 6.322 12.861 -40.580 1.00 0.53 C ATOM 656 CG LEU A 42 4.854 12.445 -40.376 1.00 0.60 C ATOM 657 CD1 LEU A 42 4.132 13.384 -39.421 1.00 1.03 C ATOM 658 CD2 LEU A 42 4.126 12.385 -41.710 1.00 1.55 C ATOM 0 H LEU A 42 8.601 14.558 -41.191 1.00 0.50 H new ATOM 0 HA LEU A 42 5.918 14.063 -42.314 1.00 0.48 H new ATOM 0 HB2 LEU A 42 6.853 12.024 -41.033 1.00 0.53 H new ATOM 0 HB3 LEU A 42 6.768 13.029 -39.600 1.00 0.53 H new ATOM 0 HG LEU A 42 4.853 11.451 -39.928 1.00 0.60 H new ATOM 0 HD11 LEU A 42 3.099 13.058 -39.302 1.00 1.03 H new ATOM 0 HD12 LEU A 42 4.630 13.371 -38.452 1.00 1.03 H new ATOM 0 HD13 LEU A 42 4.149 14.397 -39.824 1.00 1.03 H new ATOM 0 HD21 LEU A 42 3.090 12.089 -41.546 1.00 1.55 H new ATOM 0 HD22 LEU A 42 4.153 13.366 -42.184 1.00 1.55 H new ATOM 0 HD23 LEU A 42 4.613 11.656 -42.358 1.00 1.55 H new ATOM 670 N GLU A 43 5.310 16.164 -41.172 1.00 0.57 N ATOM 671 CA GLU A 43 4.921 17.399 -40.510 1.00 0.69 C ATOM 672 C GLU A 43 3.405 17.496 -40.387 1.00 0.60 C ATOM 673 O GLU A 43 2.680 17.258 -41.355 1.00 0.53 O ATOM 674 CB GLU A 43 5.477 18.608 -41.271 1.00 0.82 C ATOM 675 CG GLU A 43 5.069 19.946 -40.672 1.00 1.00 C ATOM 676 CD GLU A 43 5.797 21.119 -41.296 1.00 1.62 C ATOM 677 OE1 GLU A 43 5.484 21.481 -42.449 1.00 2.19 O ATOM 678 OE2 GLU A 43 6.688 21.686 -40.631 1.00 2.23 O ATOM 0 H GLU A 43 4.802 15.965 -42.034 1.00 0.57 H new ATOM 0 HA GLU A 43 5.342 17.395 -39.505 1.00 0.69 H new ATOM 0 HB2 GLU A 43 6.565 18.545 -41.291 1.00 0.82 H new ATOM 0 HB3 GLU A 43 5.136 18.564 -42.305 1.00 0.82 H new ATOM 0 HG2 GLU A 43 3.995 20.083 -40.799 1.00 1.00 H new ATOM 0 HG3 GLU A 43 5.264 19.933 -39.600 1.00 1.00 H new ATOM 685 N LEU A 44 2.936 17.828 -39.189 1.00 0.67 N ATOM 686 CA LEU A 44 1.514 18.038 -38.960 1.00 0.65 C ATOM 687 C LEU A 44 1.182 19.499 -39.219 1.00 0.64 C ATOM 688 O LEU A 44 1.667 20.385 -38.516 1.00 0.77 O ATOM 689 CB LEU A 44 1.111 17.662 -37.521 1.00 0.82 C ATOM 690 CG LEU A 44 1.263 16.182 -37.130 1.00 0.97 C ATOM 691 CD1 LEU A 44 0.647 15.273 -38.182 1.00 1.27 C ATOM 692 CD2 LEU A 44 2.721 15.819 -36.886 1.00 1.72 C ATOM 0 H LEU A 44 3.521 17.957 -38.363 1.00 0.67 H new ATOM 0 HA LEU A 44 0.956 17.395 -39.641 1.00 0.65 H new ATOM 0 HB2 LEU A 44 1.708 18.260 -36.832 1.00 0.82 H new ATOM 0 HB3 LEU A 44 0.070 17.949 -37.372 1.00 0.82 H new ATOM 0 HG LEU A 44 0.723 16.032 -36.195 1.00 0.97 H new ATOM 0 HD11 LEU A 44 0.769 14.233 -37.880 1.00 1.27 H new ATOM 0 HD12 LEU A 44 -0.414 15.500 -38.283 1.00 1.27 H new ATOM 0 HD13 LEU A 44 1.145 15.434 -39.138 1.00 1.27 H new ATOM 0 HD21 LEU A 44 2.793 14.767 -36.612 1.00 1.72 H new ATOM 0 HD22 LEU A 44 3.297 15.998 -37.794 1.00 1.72 H new ATOM 0 HD23 LEU A 44 3.118 16.433 -36.077 1.00 1.72 H new ATOM 704 N VAL A 45 0.368 19.746 -40.225 1.00 0.57 N ATOM 705 CA VAL A 45 0.056 21.103 -40.637 1.00 0.63 C ATOM 706 C VAL A 45 -1.363 21.494 -40.243 1.00 0.60 C ATOM 707 O VAL A 45 -2.316 20.734 -40.455 1.00 0.56 O ATOM 708 CB VAL A 45 0.222 21.276 -42.163 1.00 0.73 C ATOM 709 CG1 VAL A 45 -0.014 22.720 -42.580 1.00 1.08 C ATOM 710 CG2 VAL A 45 1.598 20.812 -42.609 1.00 0.90 C ATOM 0 H VAL A 45 -0.093 19.022 -40.776 1.00 0.57 H new ATOM 0 HA VAL A 45 0.760 21.757 -40.122 1.00 0.63 H new ATOM 0 HB VAL A 45 -0.528 20.656 -42.653 1.00 0.73 H new ATOM 0 HG11 VAL A 45 0.110 22.812 -43.659 1.00 1.08 H new ATOM 0 HG12 VAL A 45 -1.026 23.018 -42.304 1.00 1.08 H new ATOM 0 HG13 VAL A 45 0.705 23.366 -42.076 1.00 1.08 H new ATOM 0 HG21 VAL A 45 1.694 20.942 -43.687 1.00 0.90 H new ATOM 0 HG22 VAL A 45 2.363 21.401 -42.103 1.00 0.90 H new ATOM 0 HG23 VAL A 45 1.726 19.759 -42.358 1.00 0.90 H new ATOM 720 N ASP A 46 -1.486 22.671 -39.646 1.00 0.76 N ATOM 721 CA ASP A 46 -2.783 23.268 -39.356 1.00 0.83 C ATOM 722 C ASP A 46 -3.503 23.567 -40.666 1.00 0.80 C ATOM 723 O ASP A 46 -3.188 24.542 -41.352 1.00 0.99 O ATOM 724 CB ASP A 46 -2.594 24.557 -38.549 1.00 1.16 C ATOM 725 CG ASP A 46 -3.895 25.163 -38.054 1.00 1.38 C ATOM 726 OD1 ASP A 46 -4.704 25.630 -38.881 1.00 1.57 O ATOM 727 OD2 ASP A 46 -4.092 25.215 -36.821 1.00 1.83 O ATOM 0 H ASP A 46 -0.692 23.238 -39.349 1.00 0.76 H new ATOM 0 HA ASP A 46 -3.382 22.573 -38.767 1.00 0.83 H new ATOM 0 HB2 ASP A 46 -1.952 24.349 -37.693 1.00 1.16 H new ATOM 0 HB3 ASP A 46 -2.074 25.289 -39.167 1.00 1.16 H new ATOM 732 N LYS A 47 -4.438 22.705 -41.033 1.00 0.81 N ATOM 733 CA LYS A 47 -5.131 22.840 -42.305 1.00 1.03 C ATOM 734 C LYS A 47 -6.369 23.706 -42.133 1.00 1.12 C ATOM 735 O LYS A 47 -6.424 24.837 -42.616 1.00 1.66 O ATOM 736 CB LYS A 47 -5.527 21.465 -42.849 1.00 1.36 C ATOM 737 CG LYS A 47 -5.637 21.407 -44.365 1.00 1.85 C ATOM 738 CD LYS A 47 -4.266 21.512 -45.014 1.00 2.14 C ATOM 739 CE LYS A 47 -4.314 21.182 -46.496 1.00 2.34 C ATOM 740 NZ LYS A 47 -2.952 20.933 -47.046 1.00 2.76 N ATOM 0 H LYS A 47 -4.734 21.907 -40.471 1.00 0.81 H new ATOM 0 HA LYS A 47 -4.458 23.316 -43.018 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -4.792 20.730 -42.520 1.00 1.36 H new ATOM 0 HB3 LYS A 47 -6.484 21.176 -42.414 1.00 1.36 H new ATOM 0 HG2 LYS A 47 -6.114 20.474 -44.663 1.00 1.85 H new ATOM 0 HG3 LYS A 47 -6.274 22.218 -44.718 1.00 1.85 H new ATOM 0 HD2 LYS A 47 -3.877 22.521 -44.879 1.00 2.14 H new ATOM 0 HD3 LYS A 47 -3.574 20.834 -44.513 1.00 2.14 H new ATOM 0 HE2 LYS A 47 -4.937 20.302 -46.653 1.00 2.34 H new ATOM 0 HE3 LYS A 47 -4.781 22.004 -47.038 1.00 2.34 H new ATOM 0 HZ1 LYS A 47 -2.936 21.177 -48.057 1.00 2.76 H new ATOM 0 HZ2 LYS A 47 -2.260 21.519 -46.537 1.00 2.76 H new ATOM 0 HZ3 LYS A 47 -2.708 19.929 -46.929 1.00 2.76 H new ATOM 815 N SER A 54 -9.456 20.067 -38.848 1.00 1.25 N ATOM 816 CA SER A 54 -8.774 19.163 -39.755 1.00 1.00 C ATOM 817 C SER A 54 -7.268 19.379 -39.677 1.00 0.82 C ATOM 818 O SER A 54 -6.787 20.508 -39.821 1.00 0.89 O ATOM 819 CB SER A 54 -9.253 19.389 -41.192 1.00 1.14 C ATOM 820 OG SER A 54 -10.667 19.497 -41.258 1.00 1.71 O ATOM 0 HA SER A 54 -9.005 18.139 -39.461 1.00 1.00 H new ATOM 0 HB2 SER A 54 -8.799 20.297 -41.590 1.00 1.14 H new ATOM 0 HB3 SER A 54 -8.920 18.564 -41.822 1.00 1.14 H new ATOM 0 HG SER A 54 -10.997 19.965 -40.463 1.00 1.71 H new ATOM 826 N PHE A 55 -6.530 18.304 -39.452 1.00 0.67 N ATOM 827 CA PHE A 55 -5.077 18.364 -39.448 1.00 0.60 C ATOM 828 C PHE A 55 -4.555 17.603 -40.652 1.00 0.52 C ATOM 829 O PHE A 55 -4.989 16.488 -40.907 1.00 0.50 O ATOM 830 CB PHE A 55 -4.502 17.755 -38.165 1.00 0.67 C ATOM 831 CG PHE A 55 -4.934 18.448 -36.905 1.00 0.81 C ATOM 832 CD1 PHE A 55 -4.339 19.635 -36.513 1.00 0.86 C ATOM 833 CD2 PHE A 55 -5.929 17.905 -36.107 1.00 0.99 C ATOM 834 CE1 PHE A 55 -4.730 20.270 -35.350 1.00 1.03 C ATOM 835 CE2 PHE A 55 -6.325 18.534 -34.944 1.00 1.15 C ATOM 836 CZ PHE A 55 -5.724 19.719 -34.564 1.00 1.15 C ATOM 0 H PHE A 55 -6.914 17.377 -39.269 1.00 0.67 H new ATOM 0 HA PHE A 55 -4.766 19.408 -39.493 1.00 0.60 H new ATOM 0 HB2 PHE A 55 -4.798 16.707 -38.110 1.00 0.67 H new ATOM 0 HB3 PHE A 55 -3.414 17.776 -38.223 1.00 0.67 H new ATOM 0 HD1 PHE A 55 -3.561 20.069 -37.123 1.00 0.86 H new ATOM 0 HD2 PHE A 55 -6.400 16.978 -36.399 1.00 0.99 H new ATOM 0 HE1 PHE A 55 -4.259 21.196 -35.055 1.00 1.03 H new ATOM 0 HE2 PHE A 55 -7.103 18.101 -34.332 1.00 1.15 H new ATOM 0 HZ PHE A 55 -6.031 20.214 -33.654 1.00 1.15 H new ATOM 846 N ASP A 56 -3.634 18.200 -41.383 1.00 0.51 N ATOM 847 CA ASP A 56 -3.140 17.603 -42.618 1.00 0.52 C ATOM 848 C ASP A 56 -1.670 17.263 -42.476 1.00 0.50 C ATOM 849 O ASP A 56 -0.862 18.117 -42.125 1.00 0.55 O ATOM 850 CB ASP A 56 -3.363 18.567 -43.783 1.00 0.58 C ATOM 851 CG ASP A 56 -2.937 18.010 -45.128 1.00 0.64 C ATOM 852 OD1 ASP A 56 -3.412 16.918 -45.504 1.00 1.35 O ATOM 853 OD2 ASP A 56 -2.168 18.696 -45.837 1.00 1.23 O ATOM 0 H ASP A 56 -3.210 19.097 -41.147 1.00 0.51 H new ATOM 0 HA ASP A 56 -3.688 16.682 -42.820 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -4.420 18.830 -43.827 1.00 0.58 H new ATOM 0 HB3 ASP A 56 -2.813 19.488 -43.591 1.00 0.58 H new ATOM 858 N ALA A 57 -1.320 16.019 -42.741 1.00 0.48 N ATOM 859 CA ALA A 57 0.041 15.567 -42.531 1.00 0.48 C ATOM 860 C ALA A 57 0.774 15.396 -43.849 1.00 0.44 C ATOM 861 O ALA A 57 0.407 14.564 -44.680 1.00 0.46 O ATOM 862 CB ALA A 57 0.047 14.261 -41.754 1.00 0.51 C ATOM 0 H ALA A 57 -1.956 15.307 -43.100 1.00 0.48 H new ATOM 0 HA ALA A 57 0.563 16.329 -41.952 1.00 0.48 H new ATOM 0 HB1 ALA A 57 1.075 13.932 -41.603 1.00 0.51 H new ATOM 0 HB2 ALA A 57 -0.432 14.411 -40.786 1.00 0.51 H new ATOM 0 HB3 ALA A 57 -0.498 13.502 -42.315 1.00 0.51 H new ATOM 868 N VAL A 58 1.809 16.202 -44.032 1.00 0.42 N ATOM 869 CA VAL A 58 2.676 16.078 -45.188 1.00 0.41 C ATOM 870 C VAL A 58 3.631 14.915 -44.970 1.00 0.39 C ATOM 871 O VAL A 58 4.489 14.968 -44.082 1.00 0.41 O ATOM 872 CB VAL A 58 3.487 17.371 -45.434 1.00 0.48 C ATOM 873 CG1 VAL A 58 4.363 17.235 -46.671 1.00 0.51 C ATOM 874 CG2 VAL A 58 2.558 18.567 -45.560 1.00 0.55 C ATOM 0 H VAL A 58 2.067 16.951 -43.390 1.00 0.42 H new ATOM 0 HA VAL A 58 2.053 15.902 -46.065 1.00 0.41 H new ATOM 0 HB VAL A 58 4.140 17.533 -44.576 1.00 0.48 H new ATOM 0 HG11 VAL A 58 4.924 18.157 -46.823 1.00 0.51 H new ATOM 0 HG12 VAL A 58 5.058 16.406 -46.535 1.00 0.51 H new ATOM 0 HG13 VAL A 58 3.736 17.044 -47.542 1.00 0.51 H new ATOM 0 HG21 VAL A 58 3.146 19.468 -45.733 1.00 0.55 H new ATOM 0 HG22 VAL A 58 1.877 18.412 -46.397 1.00 0.55 H new ATOM 0 HG23 VAL A 58 1.983 18.680 -44.641 1.00 0.55 H new ATOM 884 N ILE A 59 3.461 13.856 -45.750 1.00 0.38 N ATOM 885 CA ILE A 59 4.282 12.671 -45.592 1.00 0.40 C ATOM 886 C ILE A 59 5.311 12.587 -46.710 1.00 0.44 C ATOM 887 O ILE A 59 5.005 12.826 -47.879 1.00 0.65 O ATOM 888 CB ILE A 59 3.428 11.366 -45.539 1.00 0.49 C ATOM 889 CG1 ILE A 59 3.095 10.816 -46.932 1.00 1.18 C ATOM 890 CG2 ILE A 59 2.136 11.617 -44.785 1.00 0.77 C ATOM 891 CD1 ILE A 59 4.010 9.695 -47.385 1.00 0.80 C ATOM 0 H ILE A 59 2.765 13.796 -46.493 1.00 0.38 H new ATOM 0 HA ILE A 59 4.798 12.759 -44.636 1.00 0.40 H new ATOM 0 HB ILE A 59 4.033 10.620 -45.023 1.00 0.49 H new ATOM 0 HG12 ILE A 59 2.066 10.455 -46.933 1.00 1.18 H new ATOM 0 HG13 ILE A 59 3.148 11.630 -47.655 1.00 1.18 H new ATOM 0 HG21 ILE A 59 1.548 10.699 -44.755 1.00 0.77 H new ATOM 0 HG22 ILE A 59 2.364 11.936 -43.768 1.00 0.77 H new ATOM 0 HG23 ILE A 59 1.566 12.397 -45.290 1.00 0.77 H new ATOM 0 HD11 ILE A 59 3.711 9.360 -48.378 1.00 0.80 H new ATOM 0 HD12 ILE A 59 5.038 10.055 -47.418 1.00 0.80 H new ATOM 0 HD13 ILE A 59 3.940 8.863 -46.685 1.00 0.80 H new ATOM 903 N VAL A 60 6.537 12.302 -46.328 1.00 0.39 N ATOM 904 CA VAL A 60 7.594 12.022 -47.276 1.00 0.42 C ATOM 905 C VAL A 60 8.202 10.667 -46.940 1.00 0.40 C ATOM 906 O VAL A 60 8.973 10.541 -45.988 1.00 0.44 O ATOM 907 CB VAL A 60 8.682 13.122 -47.255 1.00 0.51 C ATOM 908 CG1 VAL A 60 9.825 12.778 -48.193 1.00 0.58 C ATOM 909 CG2 VAL A 60 8.085 14.473 -47.618 1.00 0.58 C ATOM 0 H VAL A 60 6.829 12.258 -45.352 1.00 0.39 H new ATOM 0 HA VAL A 60 7.173 12.006 -48.281 1.00 0.42 H new ATOM 0 HB VAL A 60 9.081 13.179 -46.242 1.00 0.51 H new ATOM 0 HG11 VAL A 60 10.575 13.568 -48.158 1.00 0.58 H new ATOM 0 HG12 VAL A 60 10.277 11.835 -47.885 1.00 0.58 H new ATOM 0 HG13 VAL A 60 9.445 12.683 -49.210 1.00 0.58 H new ATOM 0 HG21 VAL A 60 8.866 15.233 -47.598 1.00 0.58 H new ATOM 0 HG22 VAL A 60 7.653 14.423 -48.618 1.00 0.58 H new ATOM 0 HG23 VAL A 60 7.308 14.732 -46.899 1.00 0.58 H new ATOM 919 N SER A 61 7.817 9.650 -47.696 1.00 0.39 N ATOM 920 CA SER A 61 8.210 8.284 -47.388 1.00 0.42 C ATOM 921 C SER A 61 8.279 7.428 -48.648 1.00 0.42 C ATOM 922 O SER A 61 7.626 7.724 -49.650 1.00 0.43 O ATOM 923 CB SER A 61 7.224 7.668 -46.390 1.00 0.45 C ATOM 924 OG SER A 61 7.532 6.307 -46.143 1.00 0.84 O ATOM 0 H SER A 61 7.233 9.745 -48.527 1.00 0.39 H new ATOM 0 HA SER A 61 9.205 8.312 -46.945 1.00 0.42 H new ATOM 0 HB2 SER A 61 7.252 8.226 -45.454 1.00 0.45 H new ATOM 0 HB3 SER A 61 6.209 7.750 -46.779 1.00 0.45 H new ATOM 0 HG SER A 61 8.049 6.234 -45.314 1.00 0.84 H new ATOM 930 N ASN A 62 9.087 6.373 -48.591 1.00 0.51 N ATOM 931 CA ASN A 62 9.164 5.402 -49.679 1.00 0.57 C ATOM 932 C ASN A 62 7.856 4.625 -49.796 1.00 0.56 C ATOM 933 O ASN A 62 7.571 4.036 -50.831 1.00 0.59 O ATOM 934 CB ASN A 62 10.328 4.422 -49.476 1.00 0.75 C ATOM 935 CG ASN A 62 11.688 5.012 -49.810 1.00 0.86 C ATOM 936 OD1 ASN A 62 12.562 4.317 -50.328 1.00 1.67 O ATOM 937 ND2 ASN A 62 11.886 6.287 -49.508 1.00 0.76 N ATOM 0 H ASN A 62 9.699 6.168 -47.801 1.00 0.51 H new ATOM 0 HA ASN A 62 9.339 5.958 -50.600 1.00 0.57 H new ATOM 0 HB2 ASN A 62 10.332 4.086 -48.439 1.00 0.75 H new ATOM 0 HB3 ASN A 62 10.162 3.541 -50.096 1.00 0.75 H new ATOM 0 HD21 ASN A 62 12.787 6.724 -49.704 1.00 0.76 H new ATOM 0 HD22 ASN A 62 11.138 6.832 -49.079 1.00 0.76 H new ATOM 944 N ASN A 63 7.061 4.645 -48.728 1.00 0.57 N ATOM 945 CA ASN A 63 5.801 3.894 -48.660 1.00 0.66 C ATOM 946 C ASN A 63 4.782 4.380 -49.707 1.00 0.67 C ATOM 947 O ASN A 63 3.689 3.826 -49.825 1.00 0.86 O ATOM 948 CB ASN A 63 5.212 4.017 -47.245 1.00 0.73 C ATOM 949 CG ASN A 63 4.070 3.048 -46.974 1.00 1.03 C ATOM 950 OD1 ASN A 63 4.293 1.909 -46.568 1.00 1.81 O ATOM 951 ND2 ASN A 63 2.840 3.498 -47.172 1.00 1.00 N ATOM 0 H ASN A 63 7.268 5.180 -47.885 1.00 0.57 H new ATOM 0 HA ASN A 63 6.016 2.849 -48.883 1.00 0.66 H new ATOM 0 HB2 ASN A 63 6.003 3.846 -46.515 1.00 0.73 H new ATOM 0 HB3 ASN A 63 4.856 5.036 -47.096 1.00 0.73 H new ATOM 0 HD21 ASN A 63 2.040 2.893 -46.987 1.00 1.00 H new ATOM 0 HD22 ASN A 63 2.693 4.449 -47.510 1.00 1.00 H new ATOM 958 N PHE A 64 5.140 5.398 -50.477 1.00 0.60 N ATOM 959 CA PHE A 64 4.247 5.923 -51.501 1.00 0.67 C ATOM 960 C PHE A 64 4.753 5.594 -52.912 1.00 0.60 C ATOM 961 O PHE A 64 4.042 5.802 -53.895 1.00 0.65 O ATOM 962 CB PHE A 64 4.091 7.442 -51.325 1.00 0.80 C ATOM 963 CG PHE A 64 3.180 8.092 -52.333 1.00 1.48 C ATOM 964 CD1 PHE A 64 1.847 7.727 -52.419 1.00 1.84 C ATOM 965 CD2 PHE A 64 3.665 9.058 -53.199 1.00 2.11 C ATOM 966 CE1 PHE A 64 1.011 8.318 -53.348 1.00 2.66 C ATOM 967 CE2 PHE A 64 2.835 9.653 -54.131 1.00 2.95 C ATOM 968 CZ PHE A 64 1.506 9.282 -54.206 1.00 3.19 C ATOM 0 H PHE A 64 6.039 5.876 -50.413 1.00 0.60 H new ATOM 0 HA PHE A 64 3.274 5.445 -51.383 1.00 0.67 H new ATOM 0 HB2 PHE A 64 3.708 7.643 -50.324 1.00 0.80 H new ATOM 0 HB3 PHE A 64 5.075 7.906 -51.389 1.00 0.80 H new ATOM 0 HD1 PHE A 64 1.456 6.972 -51.753 1.00 1.84 H new ATOM 0 HD2 PHE A 64 4.703 9.350 -53.146 1.00 2.11 H new ATOM 0 HE1 PHE A 64 -0.028 8.027 -53.403 1.00 2.66 H new ATOM 0 HE2 PHE A 64 3.225 10.407 -54.799 1.00 2.95 H new ATOM 0 HZ PHE A 64 0.855 9.744 -54.934 1.00 3.19 H new ATOM 978 N GLU A 65 5.956 5.035 -53.016 1.00 0.58 N ATOM 979 CA GLU A 65 6.589 4.863 -54.324 1.00 0.61 C ATOM 980 C GLU A 65 5.963 3.706 -55.105 1.00 0.65 C ATOM 981 O GLU A 65 6.107 3.623 -56.327 1.00 0.75 O ATOM 982 CB GLU A 65 8.113 4.691 -54.180 1.00 0.71 C ATOM 983 CG GLU A 65 8.569 3.358 -53.597 1.00 0.87 C ATOM 984 CD GLU A 65 8.828 2.310 -54.660 1.00 1.55 C ATOM 985 OE1 GLU A 65 9.328 2.668 -55.744 1.00 2.11 O ATOM 986 OE2 GLU A 65 8.536 1.123 -54.422 1.00 2.14 O ATOM 0 H GLU A 65 6.506 4.698 -52.226 1.00 0.58 H new ATOM 0 HA GLU A 65 6.411 5.771 -54.901 1.00 0.61 H new ATOM 0 HB2 GLU A 65 8.570 4.814 -55.162 1.00 0.71 H new ATOM 0 HB3 GLU A 65 8.494 5.494 -53.549 1.00 0.71 H new ATOM 0 HG2 GLU A 65 9.479 3.513 -53.017 1.00 0.87 H new ATOM 0 HG3 GLU A 65 7.810 2.989 -52.907 1.00 0.87 H new ATOM 993 N ASP A 66 5.255 2.822 -54.405 1.00 0.69 N ATOM 994 CA ASP A 66 4.532 1.732 -55.059 1.00 0.84 C ATOM 995 C ASP A 66 3.266 2.246 -55.726 1.00 0.80 C ATOM 996 O ASP A 66 2.665 1.543 -56.535 1.00 0.93 O ATOM 997 CB ASP A 66 4.163 0.623 -54.067 1.00 1.00 C ATOM 998 CG ASP A 66 5.329 -0.282 -53.729 1.00 1.40 C ATOM 999 OD1 ASP A 66 5.682 -1.140 -54.566 1.00 1.94 O ATOM 1000 OD2 ASP A 66 5.885 -0.157 -52.619 1.00 2.03 O ATOM 0 H ASP A 66 5.166 2.838 -53.389 1.00 0.69 H new ATOM 0 HA ASP A 66 5.199 1.317 -55.815 1.00 0.84 H new ATOM 0 HB2 ASP A 66 3.784 1.075 -53.150 1.00 1.00 H new ATOM 0 HB3 ASP A 66 3.354 0.023 -54.485 1.00 1.00 H new ATOM 1005 N LYS A 67 2.868 3.468 -55.345 1.00 0.78 N ATOM 1006 CA LYS A 67 1.689 4.175 -55.883 1.00 0.88 C ATOM 1007 C LYS A 67 0.396 3.350 -55.795 1.00 0.78 C ATOM 1008 O LYS A 67 -0.617 3.709 -56.400 1.00 0.86 O ATOM 1009 CB LYS A 67 1.925 4.657 -57.333 1.00 1.17 C ATOM 1010 CG LYS A 67 1.879 3.560 -58.388 1.00 1.67 C ATOM 1011 CD LYS A 67 2.121 4.103 -59.785 1.00 2.00 C ATOM 1012 CE LYS A 67 2.106 2.983 -60.814 1.00 2.46 C ATOM 1013 NZ LYS A 67 2.355 3.479 -62.192 1.00 3.31 N ATOM 0 H LYS A 67 3.366 4.008 -54.638 1.00 0.78 H new ATOM 0 HA LYS A 67 1.553 5.047 -55.244 1.00 0.88 H new ATOM 0 HB2 LYS A 67 1.174 5.408 -57.578 1.00 1.17 H new ATOM 0 HB3 LYS A 67 2.896 5.149 -57.383 1.00 1.17 H new ATOM 0 HG2 LYS A 67 2.630 2.804 -58.158 1.00 1.67 H new ATOM 0 HG3 LYS A 67 0.908 3.065 -58.355 1.00 1.67 H new ATOM 0 HD2 LYS A 67 1.355 4.838 -60.031 1.00 2.00 H new ATOM 0 HD3 LYS A 67 3.081 4.619 -59.818 1.00 2.00 H new ATOM 0 HE2 LYS A 67 2.864 2.244 -60.554 1.00 2.46 H new ATOM 0 HE3 LYS A 67 1.142 2.476 -60.782 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 2.335 2.680 -62.857 1.00 3.31 H new ATOM 0 HZ2 LYS A 67 1.618 4.165 -62.453 1.00 3.31 H new ATOM 0 HZ3 LYS A 67 3.286 3.940 -62.232 1.00 3.31 H new ATOM 1027 N LYS A 68 0.411 2.269 -55.022 1.00 0.83 N ATOM 1028 CA LYS A 68 -0.772 1.438 -54.868 1.00 0.90 C ATOM 1029 C LYS A 68 -1.759 2.059 -53.894 1.00 0.82 C ATOM 1030 O LYS A 68 -1.419 2.368 -52.750 1.00 0.87 O ATOM 1031 CB LYS A 68 -0.399 0.035 -54.403 1.00 1.16 C ATOM 1032 CG LYS A 68 0.423 -0.736 -55.417 1.00 1.35 C ATOM 1033 CD LYS A 68 0.519 -2.203 -55.048 1.00 1.37 C ATOM 1034 CE LYS A 68 1.218 -2.409 -53.717 1.00 1.55 C ATOM 1035 NZ LYS A 68 1.368 -3.849 -53.388 1.00 1.99 N ATOM 0 H LYS A 68 1.225 1.951 -54.496 1.00 0.83 H new ATOM 0 HA LYS A 68 -1.248 1.368 -55.846 1.00 0.90 H new ATOM 0 HB2 LYS A 68 0.161 0.106 -53.471 1.00 1.16 H new ATOM 0 HB3 LYS A 68 -1.310 -0.522 -54.186 1.00 1.16 H new ATOM 0 HG2 LYS A 68 -0.027 -0.636 -56.405 1.00 1.35 H new ATOM 0 HG3 LYS A 68 1.424 -0.308 -55.478 1.00 1.35 H new ATOM 0 HD2 LYS A 68 -0.482 -2.632 -55.002 1.00 1.37 H new ATOM 0 HD3 LYS A 68 1.060 -2.739 -55.828 1.00 1.37 H new ATOM 0 HE2 LYS A 68 2.201 -1.939 -53.747 1.00 1.55 H new ATOM 0 HE3 LYS A 68 0.651 -1.914 -52.929 1.00 1.55 H new ATOM 0 HZ1 LYS A 68 1.850 -3.947 -52.472 1.00 1.99 H new ATOM 0 HZ2 LYS A 68 0.429 -4.293 -53.335 1.00 1.99 H new ATOM 0 HZ3 LYS A 68 1.930 -4.317 -54.127 1.00 1.99 H new ATOM 1049 N LEU A 69 -2.983 2.230 -54.362 1.00 0.84 N ATOM 1050 CA LEU A 69 -4.043 2.823 -53.564 1.00 0.91 C ATOM 1051 C LEU A 69 -4.470 1.889 -52.438 1.00 0.85 C ATOM 1052 O LEU A 69 -4.417 2.249 -51.262 1.00 0.83 O ATOM 1053 CB LEU A 69 -5.249 3.134 -54.451 1.00 1.16 C ATOM 1054 CG LEU A 69 -6.476 3.679 -53.716 1.00 1.63 C ATOM 1055 CD1 LEU A 69 -6.246 5.117 -53.275 1.00 1.97 C ATOM 1056 CD2 LEU A 69 -7.710 3.568 -54.596 1.00 2.33 C ATOM 0 H LEU A 69 -3.270 1.963 -55.304 1.00 0.84 H new ATOM 0 HA LEU A 69 -3.660 3.744 -53.124 1.00 0.91 H new ATOM 0 HB2 LEU A 69 -4.947 3.859 -55.207 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -5.536 2.224 -54.979 1.00 1.16 H new ATOM 0 HG LEU A 69 -6.640 3.079 -52.821 1.00 1.63 H new ATOM 0 HD11 LEU A 69 -7.131 5.484 -52.755 1.00 1.97 H new ATOM 0 HD12 LEU A 69 -5.387 5.159 -52.605 1.00 1.97 H new ATOM 0 HD13 LEU A 69 -6.055 5.739 -54.149 1.00 1.97 H new ATOM 0 HD21 LEU A 69 -8.575 3.959 -54.061 1.00 2.33 H new ATOM 0 HD22 LEU A 69 -7.558 4.143 -55.510 1.00 2.33 H new ATOM 0 HD23 LEU A 69 -7.883 2.522 -54.850 1.00 2.33 H new ATOM 1068 N LEU A 70 -4.872 0.681 -52.813 1.00 0.89 N ATOM 1069 CA LEU A 70 -5.473 -0.261 -51.875 1.00 0.91 C ATOM 1070 C LEU A 70 -4.488 -0.703 -50.792 1.00 0.79 C ATOM 1071 O LEU A 70 -4.885 -0.962 -49.656 1.00 0.80 O ATOM 1072 CB LEU A 70 -6.094 -1.469 -52.630 1.00 1.06 C ATOM 1073 CG LEU A 70 -5.157 -2.512 -53.303 1.00 1.09 C ATOM 1074 CD1 LEU A 70 -4.065 -1.869 -54.156 1.00 1.03 C ATOM 1075 CD2 LEU A 70 -4.557 -3.468 -52.279 1.00 1.07 C ATOM 0 H LEU A 70 -4.792 0.328 -53.767 1.00 0.89 H new ATOM 0 HA LEU A 70 -6.281 0.257 -51.358 1.00 0.91 H new ATOM 0 HB2 LEU A 70 -6.727 -2.006 -51.924 1.00 1.06 H new ATOM 0 HB3 LEU A 70 -6.748 -1.069 -53.405 1.00 1.06 H new ATOM 0 HG LEU A 70 -5.786 -3.089 -53.982 1.00 1.09 H new ATOM 0 HD11 LEU A 70 -3.444 -2.647 -54.599 1.00 1.03 H new ATOM 0 HD12 LEU A 70 -4.523 -1.276 -54.948 1.00 1.03 H new ATOM 0 HD13 LEU A 70 -3.448 -1.224 -53.531 1.00 1.03 H new ATOM 0 HD21 LEU A 70 -3.908 -4.183 -52.785 1.00 1.07 H new ATOM 0 HD22 LEU A 70 -3.976 -2.903 -51.550 1.00 1.07 H new ATOM 0 HD23 LEU A 70 -5.357 -4.003 -51.768 1.00 1.07 H new ATOM 1087 N ASP A 71 -3.207 -0.756 -51.132 1.00 0.72 N ATOM 1088 CA ASP A 71 -2.205 -1.274 -50.212 1.00 0.70 C ATOM 1089 C ASP A 71 -1.934 -0.277 -49.099 1.00 0.63 C ATOM 1090 O ASP A 71 -1.893 -0.634 -47.925 1.00 0.63 O ATOM 1091 CB ASP A 71 -0.911 -1.608 -50.947 1.00 0.77 C ATOM 1092 CG ASP A 71 0.001 -2.482 -50.114 1.00 1.25 C ATOM 1093 OD1 ASP A 71 -0.214 -3.713 -50.092 1.00 1.58 O ATOM 1094 OD2 ASP A 71 0.928 -1.951 -49.477 1.00 2.08 O ATOM 0 H ASP A 71 -2.839 -0.449 -52.032 1.00 0.72 H new ATOM 0 HA ASP A 71 -2.596 -2.191 -49.772 1.00 0.70 H new ATOM 0 HB2 ASP A 71 -1.145 -2.116 -51.883 1.00 0.77 H new ATOM 0 HB3 ASP A 71 -0.392 -0.685 -51.206 1.00 0.77 H new ATOM 1099 N ARG A 72 -1.775 0.984 -49.467 1.00 0.67 N ATOM 1100 CA ARG A 72 -1.542 2.019 -48.475 1.00 0.74 C ATOM 1101 C ARG A 72 -2.831 2.290 -47.703 1.00 0.67 C ATOM 1102 O ARG A 72 -2.797 2.603 -46.518 1.00 0.68 O ATOM 1103 CB ARG A 72 -1.011 3.300 -49.132 1.00 0.92 C ATOM 1104 CG ARG A 72 -2.036 4.052 -49.965 1.00 1.31 C ATOM 1105 CD ARG A 72 -1.397 5.213 -50.709 1.00 1.53 C ATOM 1106 NE ARG A 72 -2.395 6.112 -51.289 1.00 1.92 N ATOM 1107 CZ ARG A 72 -2.393 6.512 -52.562 1.00 2.22 C ATOM 1108 NH1 ARG A 72 -1.511 6.014 -53.420 1.00 2.39 N ATOM 1109 NH2 ARG A 72 -3.291 7.394 -52.977 1.00 2.93 N ATOM 0 H ARG A 72 -1.803 1.312 -50.432 1.00 0.67 H new ATOM 0 HA ARG A 72 -0.781 1.673 -47.776 1.00 0.74 H new ATOM 0 HB2 ARG A 72 -0.636 3.964 -48.353 1.00 0.92 H new ATOM 0 HB3 ARG A 72 -0.163 3.043 -49.767 1.00 0.92 H new ATOM 0 HG2 ARG A 72 -2.499 3.370 -50.679 1.00 1.31 H new ATOM 0 HG3 ARG A 72 -2.831 4.425 -49.319 1.00 1.31 H new ATOM 0 HD2 ARG A 72 -0.759 5.773 -50.026 1.00 1.53 H new ATOM 0 HD3 ARG A 72 -0.755 4.826 -51.500 1.00 1.53 H new ATOM 0 HE ARG A 72 -3.139 6.455 -50.682 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -0.830 5.322 -53.107 1.00 2.39 H new ATOM 0 HH12 ARG A 72 -1.514 6.323 -54.392 1.00 2.39 H new ATOM 0 HH21 ARG A 72 -3.981 7.765 -52.324 1.00 2.93 H new ATOM 0 HH22 ARG A 72 -3.292 7.702 -53.949 1.00 2.93 H new ATOM 1123 N HIS A 73 -3.965 2.129 -48.382 1.00 0.68 N ATOM 1124 CA HIS A 73 -5.273 2.331 -47.767 1.00 0.71 C ATOM 1125 C HIS A 73 -5.467 1.364 -46.603 1.00 0.62 C ATOM 1126 O HIS A 73 -5.801 1.780 -45.495 1.00 0.62 O ATOM 1127 CB HIS A 73 -6.381 2.147 -48.815 1.00 0.82 C ATOM 1128 CG HIS A 73 -7.773 2.405 -48.311 1.00 0.93 C ATOM 1129 ND1 HIS A 73 -8.329 3.664 -48.233 1.00 1.11 N ATOM 1130 CD2 HIS A 73 -8.728 1.552 -47.874 1.00 1.00 C ATOM 1131 CE1 HIS A 73 -9.561 3.570 -47.772 1.00 1.21 C ATOM 1132 NE2 HIS A 73 -9.830 2.302 -47.545 1.00 1.15 N ATOM 0 H HIS A 73 -4.003 1.857 -49.364 1.00 0.68 H new ATOM 0 HA HIS A 73 -5.328 3.348 -47.379 1.00 0.71 H new ATOM 0 HB2 HIS A 73 -6.183 2.815 -49.653 1.00 0.82 H new ATOM 0 HB3 HIS A 73 -6.332 1.129 -49.200 1.00 0.82 H new ATOM 0 HD2 HIS A 73 -8.640 0.478 -47.798 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -10.237 4.396 -47.608 1.00 1.21 H new ATOM 0 HE2 HIS A 73 -10.711 1.937 -47.184 1.00 1.15 H new ATOM 1141 N ARG A 74 -5.228 0.079 -46.852 1.00 0.60 N ATOM 1142 CA ARG A 74 -5.408 -0.942 -45.824 1.00 0.59 C ATOM 1143 C ARG A 74 -4.439 -0.732 -44.659 1.00 0.51 C ATOM 1144 O ARG A 74 -4.821 -0.880 -43.498 1.00 0.52 O ATOM 1145 CB ARG A 74 -5.251 -2.350 -46.417 1.00 0.68 C ATOM 1146 CG ARG A 74 -3.891 -2.613 -47.040 1.00 0.74 C ATOM 1147 CD ARG A 74 -3.826 -3.970 -47.715 1.00 0.86 C ATOM 1148 NE ARG A 74 -3.992 -5.066 -46.764 1.00 0.88 N ATOM 1149 CZ ARG A 74 -3.298 -6.203 -46.810 1.00 1.20 C ATOM 1150 NH1 ARG A 74 -2.361 -6.380 -47.734 1.00 1.67 N ATOM 1151 NH2 ARG A 74 -3.534 -7.153 -45.918 1.00 1.32 N ATOM 0 H ARG A 74 -4.911 -0.279 -47.753 1.00 0.60 H new ATOM 0 HA ARG A 74 -6.422 -0.847 -45.436 1.00 0.59 H new ATOM 0 HB2 ARG A 74 -5.427 -3.085 -45.632 1.00 0.68 H new ATOM 0 HB3 ARG A 74 -6.021 -2.502 -47.174 1.00 0.68 H new ATOM 0 HG2 ARG A 74 -3.670 -1.834 -47.770 1.00 0.74 H new ATOM 0 HG3 ARG A 74 -3.122 -2.555 -46.270 1.00 0.74 H new ATOM 0 HD2 ARG A 74 -4.602 -4.032 -48.478 1.00 0.86 H new ATOM 0 HD3 ARG A 74 -2.868 -4.075 -48.225 1.00 0.86 H new ATOM 0 HE ARG A 74 -4.681 -4.955 -46.020 1.00 0.88 H new ATOM 0 HH11 ARG A 74 -2.169 -5.644 -48.413 1.00 1.67 H new ATOM 0 HH12 ARG A 74 -1.833 -7.252 -47.764 1.00 1.67 H new ATOM 0 HH21 ARG A 74 -4.244 -7.013 -45.200 1.00 1.32 H new ATOM 0 HH22 ARG A 74 -3.005 -8.025 -45.949 1.00 1.32 H new ATOM 1165 N LEU A 75 -3.193 -0.369 -44.965 1.00 0.47 N ATOM 1166 CA LEU A 75 -2.189 -0.132 -43.928 1.00 0.46 C ATOM 1167 C LEU A 75 -2.573 1.068 -43.068 1.00 0.42 C ATOM 1168 O LEU A 75 -2.591 0.990 -41.828 1.00 0.42 O ATOM 1169 CB LEU A 75 -0.810 0.096 -44.556 1.00 0.51 C ATOM 1170 CG LEU A 75 -0.241 -1.096 -45.327 1.00 0.79 C ATOM 1171 CD1 LEU A 75 1.122 -0.752 -45.907 1.00 1.48 C ATOM 1172 CD2 LEU A 75 -0.146 -2.315 -44.423 1.00 1.36 C ATOM 0 H LEU A 75 -2.856 -0.233 -45.918 1.00 0.47 H new ATOM 0 HA LEU A 75 -2.145 -1.017 -43.293 1.00 0.46 H new ATOM 0 HB2 LEU A 75 -0.873 0.949 -45.232 1.00 0.51 H new ATOM 0 HB3 LEU A 75 -0.109 0.366 -43.766 1.00 0.51 H new ATOM 0 HG LEU A 75 -0.915 -1.330 -46.151 1.00 0.79 H new ATOM 0 HD11 LEU A 75 1.513 -1.611 -46.452 1.00 1.48 H new ATOM 0 HD12 LEU A 75 1.025 0.095 -46.586 1.00 1.48 H new ATOM 0 HD13 LEU A 75 1.806 -0.493 -45.099 1.00 1.48 H new ATOM 0 HD21 LEU A 75 0.261 -3.155 -44.986 1.00 1.36 H new ATOM 0 HD22 LEU A 75 0.508 -2.093 -43.580 1.00 1.36 H new ATOM 0 HD23 LEU A 75 -1.139 -2.572 -44.054 1.00 1.36 H new ATOM 1184 N VAL A 76 -2.894 2.173 -43.737 1.00 0.45 N ATOM 1185 CA VAL A 76 -3.320 3.383 -43.056 1.00 0.50 C ATOM 1186 C VAL A 76 -4.512 3.098 -42.156 1.00 0.48 C ATOM 1187 O VAL A 76 -4.529 3.507 -41.009 1.00 0.50 O ATOM 1188 CB VAL A 76 -3.668 4.514 -44.059 1.00 0.61 C ATOM 1189 CG1 VAL A 76 -4.382 5.666 -43.369 1.00 0.73 C ATOM 1190 CG2 VAL A 76 -2.408 5.017 -44.748 1.00 0.82 C ATOM 0 H VAL A 76 -2.865 2.251 -44.754 1.00 0.45 H new ATOM 0 HA VAL A 76 -2.485 3.724 -42.444 1.00 0.50 H new ATOM 0 HB VAL A 76 -4.342 4.099 -44.808 1.00 0.61 H new ATOM 0 HG11 VAL A 76 -4.612 6.442 -44.100 1.00 0.73 H new ATOM 0 HG12 VAL A 76 -5.307 5.304 -42.921 1.00 0.73 H new ATOM 0 HG13 VAL A 76 -3.739 6.079 -42.591 1.00 0.73 H new ATOM 0 HG21 VAL A 76 -2.668 5.810 -45.449 1.00 0.82 H new ATOM 0 HG22 VAL A 76 -1.715 5.405 -44.001 1.00 0.82 H new ATOM 0 HG23 VAL A 76 -1.936 4.196 -45.288 1.00 0.82 H new ATOM 1200 N ASN A 77 -5.492 2.362 -42.663 1.00 0.48 N ATOM 1201 CA ASN A 77 -6.676 2.038 -41.872 1.00 0.53 C ATOM 1202 C ASN A 77 -6.332 1.117 -40.705 1.00 0.49 C ATOM 1203 O ASN A 77 -7.009 1.137 -39.680 1.00 0.54 O ATOM 1204 CB ASN A 77 -7.766 1.392 -42.733 1.00 0.61 C ATOM 1205 CG ASN A 77 -8.302 2.310 -43.821 1.00 0.76 C ATOM 1206 OD1 ASN A 77 -8.758 1.846 -44.860 1.00 1.14 O ATOM 1207 ND2 ASN A 77 -8.248 3.618 -43.598 1.00 0.92 N ATOM 0 H ASN A 77 -5.493 1.980 -43.609 1.00 0.48 H new ATOM 0 HA ASN A 77 -7.056 2.979 -41.475 1.00 0.53 H new ATOM 0 HB2 ASN A 77 -7.366 0.489 -43.195 1.00 0.61 H new ATOM 0 HB3 ASN A 77 -8.590 1.083 -42.090 1.00 0.61 H new ATOM 0 HD21 ASN A 77 -8.592 4.270 -44.303 1.00 0.92 H new ATOM 0 HD22 ASN A 77 -7.862 3.971 -42.722 1.00 0.92 H new ATOM 1214 N THR A 78 -5.278 0.320 -40.856 1.00 0.45 N ATOM 1215 CA THR A 78 -4.867 -0.603 -39.803 1.00 0.50 C ATOM 1216 C THR A 78 -4.448 0.156 -38.544 1.00 0.46 C ATOM 1217 O THR A 78 -4.976 -0.091 -37.460 1.00 0.50 O ATOM 1218 CB THR A 78 -3.713 -1.521 -40.265 1.00 0.57 C ATOM 1219 OG1 THR A 78 -4.127 -2.305 -41.392 1.00 0.62 O ATOM 1220 CG2 THR A 78 -3.270 -2.453 -39.145 1.00 0.69 C ATOM 0 H THR A 78 -4.696 0.295 -41.693 1.00 0.45 H new ATOM 0 HA THR A 78 -5.730 -1.228 -39.573 1.00 0.50 H new ATOM 0 HB THR A 78 -2.874 -0.884 -40.545 1.00 0.57 H new ATOM 0 HG1 THR A 78 -4.018 -1.781 -42.213 1.00 0.62 H new ATOM 0 HG21 THR A 78 -2.457 -3.087 -39.499 1.00 0.69 H new ATOM 0 HG22 THR A 78 -2.926 -1.863 -38.295 1.00 0.69 H new ATOM 0 HG23 THR A 78 -4.109 -3.077 -38.838 1.00 0.69 H new ATOM 1228 N ILE A 79 -3.517 1.093 -38.692 1.00 0.44 N ATOM 1229 CA ILE A 79 -3.029 1.854 -37.537 1.00 0.45 C ATOM 1230 C ILE A 79 -3.976 3.009 -37.201 1.00 0.45 C ATOM 1231 O ILE A 79 -4.303 3.262 -36.034 1.00 0.50 O ATOM 1232 CB ILE A 79 -1.594 2.406 -37.765 1.00 0.51 C ATOM 1233 CG1 ILE A 79 -0.567 1.264 -37.820 1.00 0.66 C ATOM 1234 CG2 ILE A 79 -1.212 3.399 -36.671 1.00 0.59 C ATOM 1235 CD1 ILE A 79 -0.565 0.487 -39.118 1.00 0.77 C ATOM 0 H ILE A 79 -3.088 1.344 -39.583 1.00 0.44 H new ATOM 0 HA ILE A 79 -2.996 1.160 -36.697 1.00 0.45 H new ATOM 0 HB ILE A 79 -1.589 2.924 -38.724 1.00 0.51 H new ATOM 0 HG12 ILE A 79 0.428 1.678 -37.657 1.00 0.66 H new ATOM 0 HG13 ILE A 79 -0.764 0.575 -36.999 1.00 0.66 H new ATOM 0 HG21 ILE A 79 -0.204 3.771 -36.853 1.00 0.59 H new ATOM 0 HG22 ILE A 79 -1.913 4.234 -36.676 1.00 0.59 H new ATOM 0 HG23 ILE A 79 -1.246 2.903 -35.701 1.00 0.59 H new ATOM 0 HD11 ILE A 79 0.189 -0.299 -39.070 1.00 0.77 H new ATOM 0 HD12 ILE A 79 -1.546 0.039 -39.276 1.00 0.77 H new ATOM 0 HD13 ILE A 79 -0.336 1.160 -39.944 1.00 0.77 H new ATOM 1247 N LEU A 80 -4.446 3.693 -38.231 1.00 0.45 N ATOM 1248 CA LEU A 80 -5.297 4.852 -38.037 1.00 0.52 C ATOM 1249 C LEU A 80 -6.717 4.453 -37.666 1.00 0.56 C ATOM 1250 O LEU A 80 -7.558 5.318 -37.453 1.00 0.63 O ATOM 1251 CB LEU A 80 -5.299 5.770 -39.264 1.00 0.56 C ATOM 1252 CG LEU A 80 -4.094 6.716 -39.381 1.00 0.61 C ATOM 1253 CD1 LEU A 80 -2.808 5.948 -39.645 1.00 0.78 C ATOM 1254 CD2 LEU A 80 -4.333 7.745 -40.473 1.00 0.71 C ATOM 0 H LEU A 80 -4.253 3.466 -39.206 1.00 0.45 H new ATOM 0 HA LEU A 80 -4.875 5.411 -37.202 1.00 0.52 H new ATOM 0 HB2 LEU A 80 -5.342 5.151 -40.160 1.00 0.56 H new ATOM 0 HB3 LEU A 80 -6.209 6.369 -39.247 1.00 0.56 H new ATOM 0 HG LEU A 80 -3.982 7.234 -38.428 1.00 0.61 H new ATOM 0 HD11 LEU A 80 -1.976 6.648 -39.722 1.00 0.78 H new ATOM 0 HD12 LEU A 80 -2.624 5.254 -38.825 1.00 0.78 H new ATOM 0 HD13 LEU A 80 -2.902 5.391 -40.577 1.00 0.78 H new ATOM 0 HD21 LEU A 80 -3.470 8.408 -40.544 1.00 0.71 H new ATOM 0 HD22 LEU A 80 -4.479 7.237 -41.426 1.00 0.71 H new ATOM 0 HD23 LEU A 80 -5.221 8.330 -40.234 1.00 0.71 H new ATOM 1266 N LYS A 81 -6.986 3.153 -37.592 1.00 0.57 N ATOM 1267 CA LYS A 81 -8.243 2.678 -37.028 1.00 0.68 C ATOM 1268 C LYS A 81 -8.458 3.318 -35.661 1.00 0.68 C ATOM 1269 O LYS A 81 -9.403 4.074 -35.461 1.00 0.72 O ATOM 1270 CB LYS A 81 -8.246 1.149 -36.903 1.00 0.77 C ATOM 1271 CG LYS A 81 -9.491 0.590 -36.228 1.00 1.02 C ATOM 1272 CD LYS A 81 -10.751 0.954 -36.992 1.00 0.99 C ATOM 1273 CE LYS A 81 -12.000 0.572 -36.217 1.00 1.56 C ATOM 1274 NZ LYS A 81 -13.236 0.997 -36.923 1.00 1.93 N ATOM 0 H LYS A 81 -6.357 2.417 -37.912 1.00 0.57 H new ATOM 0 HA LYS A 81 -9.056 2.962 -37.696 1.00 0.68 H new ATOM 0 HB2 LYS A 81 -8.156 0.712 -37.898 1.00 0.77 H new ATOM 0 HB3 LYS A 81 -7.367 0.838 -36.338 1.00 0.77 H new ATOM 0 HG2 LYS A 81 -9.410 -0.494 -36.154 1.00 1.02 H new ATOM 0 HG3 LYS A 81 -9.558 0.975 -35.210 1.00 1.02 H new ATOM 0 HD2 LYS A 81 -10.759 2.025 -37.193 1.00 0.99 H new ATOM 0 HD3 LYS A 81 -10.751 0.448 -37.958 1.00 0.99 H new ATOM 0 HE2 LYS A 81 -12.019 -0.507 -36.067 1.00 1.56 H new ATOM 0 HE3 LYS A 81 -11.969 1.031 -35.229 1.00 1.56 H new ATOM 0 HZ1 LYS A 81 -14.068 0.719 -36.364 1.00 1.93 H new ATOM 0 HZ2 LYS A 81 -13.229 2.030 -37.044 1.00 1.93 H new ATOM 0 HZ3 LYS A 81 -13.277 0.540 -37.856 1.00 1.93 H new ATOM 1288 N GLU A 82 -7.570 3.017 -34.731 1.00 0.69 N ATOM 1289 CA GLU A 82 -7.610 3.619 -33.407 1.00 0.73 C ATOM 1290 C GLU A 82 -7.124 5.064 -33.449 1.00 0.67 C ATOM 1291 O GLU A 82 -7.635 5.916 -32.724 1.00 0.68 O ATOM 1292 CB GLU A 82 -6.782 2.764 -32.431 1.00 0.90 C ATOM 1293 CG GLU A 82 -6.372 3.460 -31.138 1.00 1.53 C ATOM 1294 CD GLU A 82 -5.052 4.208 -31.255 1.00 2.23 C ATOM 1295 OE1 GLU A 82 -4.169 3.765 -32.027 1.00 2.75 O ATOM 1296 OE2 GLU A 82 -4.877 5.225 -30.551 1.00 2.91 O ATOM 0 H GLU A 82 -6.806 2.355 -34.868 1.00 0.69 H new ATOM 0 HA GLU A 82 -8.641 3.644 -33.053 1.00 0.73 H new ATOM 0 HB2 GLU A 82 -7.357 1.873 -32.178 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -5.881 2.427 -32.944 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -7.155 4.160 -30.845 1.00 1.53 H new ATOM 0 HG3 GLU A 82 -6.293 2.719 -30.343 1.00 1.53 H new ATOM 1303 N GLU A 83 -6.152 5.333 -34.311 1.00 0.64 N ATOM 1304 CA GLU A 83 -5.570 6.670 -34.433 1.00 0.64 C ATOM 1305 C GLU A 83 -6.640 7.743 -34.647 1.00 0.55 C ATOM 1306 O GLU A 83 -6.729 8.718 -33.900 1.00 0.58 O ATOM 1307 CB GLU A 83 -4.621 6.690 -35.608 1.00 0.70 C ATOM 1308 CG GLU A 83 -3.743 7.907 -35.655 1.00 0.64 C ATOM 1309 CD GLU A 83 -2.638 7.811 -34.634 1.00 1.03 C ATOM 1310 OE1 GLU A 83 -2.897 8.108 -33.450 1.00 1.46 O ATOM 1311 OE2 GLU A 83 -1.528 7.367 -34.990 1.00 1.66 O ATOM 0 H GLU A 83 -5.746 4.641 -34.941 1.00 0.64 H new ATOM 0 HA GLU A 83 -5.047 6.892 -33.503 1.00 0.64 H new ATOM 0 HB2 GLU A 83 -3.992 5.801 -35.571 1.00 0.70 H new ATOM 0 HB3 GLU A 83 -5.198 6.634 -36.531 1.00 0.70 H new ATOM 0 HG2 GLU A 83 -3.315 8.013 -36.652 1.00 0.64 H new ATOM 0 HG3 GLU A 83 -4.340 8.799 -35.468 1.00 0.64 H new ATOM 1318 N LEU A 84 -7.447 7.538 -35.683 1.00 0.49 N ATOM 1319 CA LEU A 84 -8.533 8.457 -36.043 1.00 0.48 C ATOM 1320 C LEU A 84 -9.433 8.801 -34.858 1.00 0.52 C ATOM 1321 O LEU A 84 -9.993 9.892 -34.817 1.00 0.58 O ATOM 1322 CB LEU A 84 -9.394 7.889 -37.171 1.00 0.50 C ATOM 1323 CG LEU A 84 -8.696 7.757 -38.525 1.00 0.47 C ATOM 1324 CD1 LEU A 84 -9.668 7.250 -39.578 1.00 0.56 C ATOM 1325 CD2 LEU A 84 -8.085 9.085 -38.947 1.00 0.51 C ATOM 0 H LEU A 84 -7.370 6.730 -36.301 1.00 0.49 H new ATOM 0 HA LEU A 84 -8.044 9.372 -36.378 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -9.755 6.906 -36.870 1.00 0.50 H new ATOM 0 HB3 LEU A 84 -10.270 8.526 -37.293 1.00 0.50 H new ATOM 0 HG LEU A 84 -7.890 7.030 -38.427 1.00 0.47 H new ATOM 0 HD11 LEU A 84 -9.154 7.162 -40.535 1.00 0.56 H new ATOM 0 HD12 LEU A 84 -10.050 6.274 -39.280 1.00 0.56 H new ATOM 0 HD13 LEU A 84 -10.498 7.950 -39.675 1.00 0.56 H new ATOM 0 HD21 LEU A 84 -7.593 8.969 -39.913 1.00 0.51 H new ATOM 0 HD22 LEU A 84 -8.870 9.837 -39.027 1.00 0.51 H new ATOM 0 HD23 LEU A 84 -7.354 9.402 -38.203 1.00 0.51 H new ATOM 1337 N GLN A 85 -9.593 7.878 -33.909 1.00 0.57 N ATOM 1338 CA GLN A 85 -10.495 8.101 -32.774 1.00 0.67 C ATOM 1339 C GLN A 85 -10.118 9.376 -32.012 1.00 0.70 C ATOM 1340 O GLN A 85 -10.948 9.970 -31.324 1.00 0.81 O ATOM 1341 CB GLN A 85 -10.471 6.927 -31.786 1.00 0.75 C ATOM 1342 CG GLN A 85 -10.722 5.552 -32.391 1.00 0.80 C ATOM 1343 CD GLN A 85 -11.823 5.534 -33.430 1.00 0.76 C ATOM 1344 OE1 GLN A 85 -13.005 5.421 -33.108 1.00 0.92 O ATOM 1345 NE2 GLN A 85 -11.429 5.584 -34.688 1.00 0.72 N ATOM 0 H GLN A 85 -9.116 6.977 -33.901 1.00 0.57 H new ATOM 0 HA GLN A 85 -11.496 8.198 -33.194 1.00 0.67 H new ATOM 0 HB2 GLN A 85 -9.501 6.914 -31.289 1.00 0.75 H new ATOM 0 HB3 GLN A 85 -11.221 7.108 -31.016 1.00 0.75 H new ATOM 0 HG2 GLN A 85 -9.800 5.192 -32.846 1.00 0.80 H new ATOM 0 HG3 GLN A 85 -10.977 4.855 -31.593 1.00 0.80 H new ATOM 0 HE21 GLN A 85 -10.438 5.678 -34.909 1.00 0.72 H new ATOM 0 HE22 GLN A 85 -12.116 5.528 -35.440 1.00 0.72 H new ATOM 1354 N ASN A 86 -8.864 9.786 -32.144 1.00 0.64 N ATOM 1355 CA ASN A 86 -8.346 10.936 -31.413 1.00 0.71 C ATOM 1356 C ASN A 86 -8.392 12.204 -32.262 1.00 0.67 C ATOM 1357 O ASN A 86 -8.023 13.283 -31.797 1.00 0.77 O ATOM 1358 CB ASN A 86 -6.905 10.658 -30.972 1.00 0.75 C ATOM 1359 CG ASN A 86 -6.806 9.479 -30.022 1.00 0.85 C ATOM 1360 OD1 ASN A 86 -7.685 9.264 -29.189 1.00 1.02 O ATOM 1361 ND2 ASN A 86 -5.748 8.690 -30.155 1.00 0.87 N ATOM 0 H ASN A 86 -8.182 9.336 -32.755 1.00 0.64 H new ATOM 0 HA ASN A 86 -8.977 11.095 -30.538 1.00 0.71 H new ATOM 0 HB2 ASN A 86 -6.290 10.465 -31.851 1.00 0.75 H new ATOM 0 HB3 ASN A 86 -6.499 11.546 -30.488 1.00 0.75 H new ATOM 0 HD21 ASN A 86 -5.643 7.872 -29.555 1.00 0.87 H new ATOM 0 HD22 ASN A 86 -5.040 8.901 -30.858 1.00 0.87 H new ATOM 1368 N ILE A 87 -8.854 12.079 -33.501 1.00 0.61 N ATOM 1369 CA ILE A 87 -8.888 13.209 -34.424 1.00 0.62 C ATOM 1370 C ILE A 87 -10.286 13.369 -35.019 1.00 0.67 C ATOM 1371 O ILE A 87 -10.959 12.378 -35.301 1.00 0.77 O ATOM 1372 CB ILE A 87 -7.882 13.022 -35.587 1.00 0.58 C ATOM 1373 CG1 ILE A 87 -6.570 12.425 -35.071 1.00 0.55 C ATOM 1374 CG2 ILE A 87 -7.625 14.351 -36.288 1.00 0.68 C ATOM 1375 CD1 ILE A 87 -5.526 12.208 -36.147 1.00 0.59 C ATOM 0 H ILE A 87 -9.211 11.206 -33.890 1.00 0.61 H new ATOM 0 HA ILE A 87 -8.616 14.097 -33.853 1.00 0.62 H new ATOM 0 HB ILE A 87 -8.314 12.329 -36.309 1.00 0.58 H new ATOM 0 HG12 ILE A 87 -6.158 13.085 -34.307 1.00 0.55 H new ATOM 0 HG13 ILE A 87 -6.782 11.471 -34.587 1.00 0.55 H new ATOM 0 HG21 ILE A 87 -6.916 14.202 -37.102 1.00 0.68 H new ATOM 0 HG22 ILE A 87 -8.562 14.738 -36.689 1.00 0.68 H new ATOM 0 HG23 ILE A 87 -7.213 15.065 -35.575 1.00 0.68 H new ATOM 0 HD11 ILE A 87 -4.627 11.783 -35.701 1.00 0.59 H new ATOM 0 HD12 ILE A 87 -5.916 11.523 -36.900 1.00 0.59 H new ATOM 0 HD13 ILE A 87 -5.283 13.162 -36.615 1.00 0.59 H new ATOM 1387 N HIS A 88 -10.728 14.607 -35.207 1.00 0.71 N ATOM 1388 CA HIS A 88 -12.004 14.848 -35.868 1.00 0.80 C ATOM 1389 C HIS A 88 -11.901 14.493 -37.348 1.00 0.76 C ATOM 1390 O HIS A 88 -12.661 13.666 -37.850 1.00 0.89 O ATOM 1391 CB HIS A 88 -12.447 16.306 -35.702 1.00 0.95 C ATOM 1392 CG HIS A 88 -13.760 16.611 -36.360 1.00 1.08 C ATOM 1393 ND1 HIS A 88 -14.968 16.183 -35.861 1.00 1.37 N ATOM 1394 CD2 HIS A 88 -14.047 17.291 -37.497 1.00 1.48 C ATOM 1395 CE1 HIS A 88 -15.939 16.583 -36.658 1.00 1.75 C ATOM 1396 NE2 HIS A 88 -15.410 17.258 -37.661 1.00 1.85 N ATOM 0 H HIS A 88 -10.230 15.448 -34.916 1.00 0.71 H new ATOM 0 HA HIS A 88 -12.755 14.213 -35.399 1.00 0.80 H new ATOM 0 HB2 HIS A 88 -12.520 16.536 -34.639 1.00 0.95 H new ATOM 0 HB3 HIS A 88 -11.681 16.960 -36.118 1.00 0.95 H new ATOM 0 HD2 HIS A 88 -13.335 17.770 -38.153 1.00 1.48 H new ATOM 0 HE1 HIS A 88 -16.992 16.390 -36.514 1.00 1.75 H new ATOM 0 HE2 HIS A 88 -15.927 17.684 -38.430 1.00 1.85 H new ATOM 1405 N ALA A 89 -10.955 15.121 -38.035 1.00 0.69 N ATOM 1406 CA ALA A 89 -10.737 14.867 -39.451 1.00 0.68 C ATOM 1407 C ALA A 89 -9.250 14.911 -39.779 1.00 0.62 C ATOM 1408 O ALA A 89 -8.644 15.985 -39.830 1.00 0.73 O ATOM 1409 CB ALA A 89 -11.499 15.876 -40.296 1.00 0.78 C ATOM 0 H ALA A 89 -10.324 15.813 -37.631 1.00 0.69 H new ATOM 0 HA ALA A 89 -11.111 13.870 -39.684 1.00 0.68 H new ATOM 0 HB1 ALA A 89 -11.325 15.671 -41.352 1.00 0.78 H new ATOM 0 HB2 ALA A 89 -12.565 15.798 -40.082 1.00 0.78 H new ATOM 0 HB3 ALA A 89 -11.154 16.883 -40.060 1.00 0.78 H new ATOM 1415 N PHE A 90 -8.659 13.741 -39.967 1.00 0.52 N ATOM 1416 CA PHE A 90 -7.253 13.653 -40.328 1.00 0.47 C ATOM 1417 C PHE A 90 -7.084 13.611 -41.845 1.00 0.48 C ATOM 1418 O PHE A 90 -7.778 12.871 -42.543 1.00 0.63 O ATOM 1419 CB PHE A 90 -6.609 12.418 -39.689 1.00 0.50 C ATOM 1420 CG PHE A 90 -5.141 12.278 -39.988 1.00 0.48 C ATOM 1421 CD1 PHE A 90 -4.210 13.091 -39.361 1.00 0.48 C ATOM 1422 CD2 PHE A 90 -4.694 11.329 -40.893 1.00 0.51 C ATOM 1423 CE1 PHE A 90 -2.861 12.959 -39.632 1.00 0.49 C ATOM 1424 CE2 PHE A 90 -3.347 11.193 -41.166 1.00 0.51 C ATOM 1425 CZ PHE A 90 -2.430 12.010 -40.535 1.00 0.49 C ATOM 0 H PHE A 90 -9.130 12.841 -39.876 1.00 0.52 H new ATOM 0 HA PHE A 90 -6.751 14.543 -39.950 1.00 0.47 H new ATOM 0 HB2 PHE A 90 -6.748 12.465 -38.609 1.00 0.50 H new ATOM 0 HB3 PHE A 90 -7.129 11.526 -40.039 1.00 0.50 H new ATOM 0 HD1 PHE A 90 -4.542 13.836 -38.653 1.00 0.48 H new ATOM 0 HD2 PHE A 90 -5.407 10.688 -41.391 1.00 0.51 H new ATOM 0 HE1 PHE A 90 -2.145 13.599 -39.137 1.00 0.49 H new ATOM 0 HE2 PHE A 90 -3.011 10.448 -41.872 1.00 0.51 H new ATOM 0 HZ PHE A 90 -1.376 11.906 -40.748 1.00 0.49 H new ATOM 1435 N SER A 91 -6.165 14.413 -42.341 1.00 0.44 N ATOM 1436 CA SER A 91 -5.848 14.459 -43.751 1.00 0.48 C ATOM 1437 C SER A 91 -4.376 14.121 -43.944 1.00 0.45 C ATOM 1438 O SER A 91 -3.573 14.287 -43.024 1.00 0.52 O ATOM 1439 CB SER A 91 -6.164 15.851 -44.308 1.00 0.56 C ATOM 1440 OG SER A 91 -5.821 15.955 -45.677 1.00 1.27 O ATOM 0 H SER A 91 -5.614 15.055 -41.772 1.00 0.44 H new ATOM 0 HA SER A 91 -6.451 13.729 -44.291 1.00 0.48 H new ATOM 0 HB2 SER A 91 -7.226 16.062 -44.181 1.00 0.56 H new ATOM 0 HB3 SER A 91 -5.620 16.604 -43.738 1.00 0.56 H new ATOM 0 HG SER A 91 -4.920 16.330 -45.761 1.00 1.27 H new ATOM 1446 N MET A 92 -4.023 13.638 -45.123 1.00 0.48 N ATOM 1447 CA MET A 92 -2.654 13.240 -45.397 1.00 0.48 C ATOM 1448 C MET A 92 -2.275 13.579 -46.832 1.00 0.53 C ATOM 1449 O MET A 92 -3.078 13.414 -47.755 1.00 0.62 O ATOM 1450 CB MET A 92 -2.461 11.735 -45.138 1.00 0.52 C ATOM 1451 CG MET A 92 -3.157 10.819 -46.144 1.00 0.61 C ATOM 1452 SD MET A 92 -4.962 10.935 -46.105 1.00 0.64 S ATOM 1453 CE MET A 92 -5.311 10.349 -44.448 1.00 0.64 C ATOM 0 H MET A 92 -4.666 13.512 -45.905 1.00 0.48 H new ATOM 0 HA MET A 92 -2.000 13.793 -44.723 1.00 0.48 H new ATOM 0 HB2 MET A 92 -1.394 11.513 -45.143 1.00 0.52 H new ATOM 0 HB3 MET A 92 -2.830 11.502 -44.139 1.00 0.52 H new ATOM 0 HG2 MET A 92 -2.808 11.064 -47.147 1.00 0.61 H new ATOM 0 HG3 MET A 92 -2.864 9.788 -45.947 1.00 0.61 H new ATOM 0 HE1 MET A 92 -6.309 9.912 -44.419 1.00 0.64 H new ATOM 0 HE2 MET A 92 -4.576 9.594 -44.167 1.00 0.64 H new ATOM 0 HE3 MET A 92 -5.260 11.184 -43.749 1.00 0.64 H new ATOM 1463 N LYS A 93 -1.062 14.072 -47.011 1.00 0.52 N ATOM 1464 CA LYS A 93 -0.533 14.328 -48.337 1.00 0.59 C ATOM 1465 C LYS A 93 0.611 13.372 -48.621 1.00 0.49 C ATOM 1466 O LYS A 93 1.692 13.490 -48.042 1.00 0.42 O ATOM 1467 CB LYS A 93 -0.066 15.782 -48.466 1.00 0.70 C ATOM 1468 CG LYS A 93 -1.187 16.791 -48.282 1.00 1.14 C ATOM 1469 CD LYS A 93 -2.330 16.518 -49.245 1.00 1.44 C ATOM 1470 CE LYS A 93 -3.535 17.395 -48.954 1.00 1.93 C ATOM 1471 NZ LYS A 93 -4.687 17.047 -49.827 1.00 2.23 N ATOM 0 H LYS A 93 -0.423 14.304 -46.250 1.00 0.52 H new ATOM 0 HA LYS A 93 -1.324 14.166 -49.070 1.00 0.59 H new ATOM 0 HB2 LYS A 93 0.711 15.974 -47.726 1.00 0.70 H new ATOM 0 HB3 LYS A 93 0.386 15.926 -49.448 1.00 0.70 H new ATOM 0 HG2 LYS A 93 -1.553 16.750 -47.256 1.00 1.14 H new ATOM 0 HG3 LYS A 93 -0.804 17.799 -48.443 1.00 1.14 H new ATOM 0 HD2 LYS A 93 -1.993 16.691 -50.267 1.00 1.44 H new ATOM 0 HD3 LYS A 93 -2.619 15.469 -49.178 1.00 1.44 H new ATOM 0 HE2 LYS A 93 -3.823 17.284 -47.909 1.00 1.93 H new ATOM 0 HE3 LYS A 93 -3.269 18.442 -49.102 1.00 1.93 H new ATOM 0 HZ1 LYS A 93 -5.493 17.665 -49.602 1.00 2.23 H new ATOM 0 HZ2 LYS A 93 -4.419 17.177 -50.823 1.00 2.23 H new ATOM 0 HZ3 LYS A 93 -4.956 16.055 -49.667 1.00 2.23 H new ATOM 1485 N CYS A 94 0.365 12.429 -49.512 1.00 0.56 N ATOM 1486 CA CYS A 94 1.323 11.374 -49.791 1.00 0.54 C ATOM 1487 C CYS A 94 2.361 11.838 -50.804 1.00 0.52 C ATOM 1488 O CYS A 94 2.037 12.089 -51.968 1.00 0.64 O ATOM 1489 CB CYS A 94 0.591 10.140 -50.311 1.00 0.73 C ATOM 1490 SG CYS A 94 -0.777 9.601 -49.257 1.00 1.38 S ATOM 0 H CYS A 94 -0.495 12.372 -50.058 1.00 0.56 H new ATOM 0 HA CYS A 94 1.843 11.121 -48.867 1.00 0.54 H new ATOM 0 HB2 CYS A 94 0.207 10.351 -51.309 1.00 0.73 H new ATOM 0 HB3 CYS A 94 1.304 9.322 -50.411 1.00 0.73 H new ATOM 0 HG CYS A 94 -1.339 8.551 -49.778 1.00 1.38 H new ATOM 1496 N HIS A 95 3.598 11.989 -50.350 1.00 0.44 N ATOM 1497 CA HIS A 95 4.704 12.368 -51.231 1.00 0.50 C ATOM 1498 C HIS A 95 5.914 11.463 -51.013 1.00 0.44 C ATOM 1499 O HIS A 95 6.059 10.836 -49.961 1.00 0.44 O ATOM 1500 CB HIS A 95 5.109 13.831 -51.001 1.00 0.62 C ATOM 1501 CG HIS A 95 4.313 14.824 -51.796 1.00 0.95 C ATOM 1502 ND1 HIS A 95 3.006 14.624 -52.175 1.00 1.36 N ATOM 1503 CD2 HIS A 95 4.664 16.029 -52.296 1.00 1.84 C ATOM 1504 CE1 HIS A 95 2.589 15.661 -52.873 1.00 1.65 C ATOM 1505 NE2 HIS A 95 3.576 16.534 -52.965 1.00 1.98 N ATOM 0 H HIS A 95 3.865 11.855 -49.375 1.00 0.44 H new ATOM 0 HA HIS A 95 4.358 12.252 -52.258 1.00 0.50 H new ATOM 0 HB2 HIS A 95 5.003 14.063 -49.941 1.00 0.62 H new ATOM 0 HB3 HIS A 95 6.164 13.947 -51.249 1.00 0.62 H new ATOM 0 HD1 HIS A 95 2.447 13.801 -51.951 1.00 1.36 H new ATOM 0 HD2 HIS A 95 5.626 16.508 -52.189 1.00 1.84 H new ATOM 0 HE1 HIS A 95 1.604 15.778 -53.299 1.00 1.65 H new ATOM 1514 N THR A 96 6.777 11.390 -52.015 1.00 0.46 N ATOM 1515 CA THR A 96 8.002 10.618 -51.904 1.00 0.49 C ATOM 1516 C THR A 96 9.192 11.543 -51.662 1.00 0.46 C ATOM 1517 O THR A 96 9.118 12.741 -51.943 1.00 0.47 O ATOM 1518 CB THR A 96 8.260 9.781 -53.171 1.00 0.58 C ATOM 1519 OG1 THR A 96 8.273 10.628 -54.325 1.00 0.76 O ATOM 1520 CG2 THR A 96 7.204 8.699 -53.337 1.00 0.65 C ATOM 0 H THR A 96 6.650 11.856 -52.913 1.00 0.46 H new ATOM 0 HA THR A 96 7.884 9.940 -51.059 1.00 0.49 H new ATOM 0 HB THR A 96 9.232 9.298 -53.065 1.00 0.58 H new ATOM 0 HG1 THR A 96 8.439 10.088 -55.125 1.00 0.76 H new ATOM 0 HG21 THR A 96 7.411 8.124 -54.239 1.00 0.65 H new ATOM 0 HG22 THR A 96 7.223 8.036 -52.472 1.00 0.65 H new ATOM 0 HG23 THR A 96 6.220 9.161 -53.419 1.00 0.65 H new ATOM 1528 N PRO A 97 10.301 11.005 -51.127 1.00 0.47 N ATOM 1529 CA PRO A 97 11.526 11.781 -50.901 1.00 0.48 C ATOM 1530 C PRO A 97 12.091 12.344 -52.200 1.00 0.52 C ATOM 1531 O PRO A 97 12.585 13.469 -52.237 1.00 0.54 O ATOM 1532 CB PRO A 97 12.499 10.769 -50.278 1.00 0.53 C ATOM 1533 CG PRO A 97 11.934 9.431 -50.608 1.00 0.72 C ATOM 1534 CD PRO A 97 10.445 9.612 -50.681 1.00 0.51 C ATOM 0 HA PRO A 97 11.347 12.648 -50.265 1.00 0.48 H new ATOM 0 HB2 PRO A 97 13.503 10.884 -50.687 1.00 0.53 H new ATOM 0 HB3 PRO A 97 12.576 10.909 -49.200 1.00 0.53 H new ATOM 0 HG2 PRO A 97 12.329 9.065 -51.556 1.00 0.72 H new ATOM 0 HG3 PRO A 97 12.200 8.697 -49.847 1.00 0.72 H new ATOM 0 HD2 PRO A 97 9.988 8.915 -51.383 1.00 0.51 H new ATOM 0 HD3 PRO A 97 9.971 9.447 -49.713 1.00 0.51 H new ATOM 1542 N LEU A 98 11.990 11.561 -53.270 1.00 0.60 N ATOM 1543 CA LEU A 98 12.490 11.980 -54.573 1.00 0.71 C ATOM 1544 C LEU A 98 11.630 13.103 -55.134 1.00 0.66 C ATOM 1545 O LEU A 98 12.120 13.983 -55.838 1.00 0.71 O ATOM 1546 CB LEU A 98 12.529 10.804 -55.560 1.00 0.88 C ATOM 1547 CG LEU A 98 13.536 9.688 -55.239 1.00 1.34 C ATOM 1548 CD1 LEU A 98 14.894 10.271 -54.879 1.00 2.08 C ATOM 1549 CD2 LEU A 98 13.022 8.782 -54.127 1.00 1.78 C ATOM 0 H LEU A 98 11.566 10.633 -53.259 1.00 0.60 H new ATOM 0 HA LEU A 98 13.509 12.344 -54.438 1.00 0.71 H new ATOM 0 HB2 LEU A 98 11.533 10.364 -55.610 1.00 0.88 H new ATOM 0 HB3 LEU A 98 12.755 11.195 -56.552 1.00 0.88 H new ATOM 0 HG LEU A 98 13.654 9.079 -56.135 1.00 1.34 H new ATOM 0 HD11 LEU A 98 15.590 9.462 -54.656 1.00 2.08 H new ATOM 0 HD12 LEU A 98 15.273 10.855 -55.718 1.00 2.08 H new ATOM 0 HD13 LEU A 98 14.794 10.915 -54.005 1.00 2.08 H new ATOM 0 HD21 LEU A 98 13.757 8.003 -53.923 1.00 1.78 H new ATOM 0 HD22 LEU A 98 12.858 9.371 -53.225 1.00 1.78 H new ATOM 0 HD23 LEU A 98 12.083 8.323 -54.436 1.00 1.78 H new ATOM 1561 N GLU A 99 10.345 13.069 -54.816 1.00 0.65 N ATOM 1562 CA GLU A 99 9.428 14.113 -55.236 1.00 0.72 C ATOM 1563 C GLU A 99 9.692 15.389 -54.445 1.00 0.64 C ATOM 1564 O GLU A 99 9.870 16.466 -55.016 1.00 0.71 O ATOM 1565 CB GLU A 99 7.985 13.658 -55.023 1.00 0.88 C ATOM 1566 CG GLU A 99 6.944 14.628 -55.552 1.00 1.19 C ATOM 1567 CD GLU A 99 5.536 14.236 -55.155 1.00 1.91 C ATOM 1568 OE1 GLU A 99 5.348 13.108 -54.647 1.00 2.44 O ATOM 1569 OE2 GLU A 99 4.618 15.064 -55.329 1.00 2.69 O ATOM 0 H GLU A 99 9.914 12.326 -54.266 1.00 0.65 H new ATOM 0 HA GLU A 99 9.584 14.314 -56.296 1.00 0.72 H new ATOM 0 HB2 GLU A 99 7.845 12.692 -55.508 1.00 0.88 H new ATOM 0 HB3 GLU A 99 7.817 13.507 -53.957 1.00 0.88 H new ATOM 0 HG2 GLU A 99 7.159 15.628 -55.177 1.00 1.19 H new ATOM 0 HG3 GLU A 99 7.013 14.674 -56.639 1.00 1.19 H new ATOM 1576 N TYR A 100 9.741 15.250 -53.123 1.00 0.57 N ATOM 1577 CA TYR A 100 9.911 16.391 -52.233 1.00 0.63 C ATOM 1578 C TYR A 100 11.250 17.087 -52.461 1.00 0.66 C ATOM 1579 O TYR A 100 11.338 18.308 -52.362 1.00 0.76 O ATOM 1580 CB TYR A 100 9.786 15.952 -50.770 1.00 0.67 C ATOM 1581 CG TYR A 100 9.874 17.100 -49.786 1.00 0.85 C ATOM 1582 CD1 TYR A 100 8.812 17.980 -49.619 1.00 0.98 C ATOM 1583 CD2 TYR A 100 11.020 17.302 -49.026 1.00 0.96 C ATOM 1584 CE1 TYR A 100 8.891 19.033 -48.728 1.00 1.17 C ATOM 1585 CE2 TYR A 100 11.105 18.352 -48.130 1.00 1.15 C ATOM 1586 CZ TYR A 100 10.038 19.213 -47.985 1.00 1.24 C ATOM 1587 OH TYR A 100 10.122 20.264 -47.099 1.00 1.46 O ATOM 0 H TYR A 100 9.665 14.353 -52.644 1.00 0.57 H new ATOM 0 HA TYR A 100 9.120 17.106 -52.459 1.00 0.63 H new ATOM 0 HB2 TYR A 100 8.834 15.438 -50.633 1.00 0.67 H new ATOM 0 HB3 TYR A 100 10.572 15.231 -50.547 1.00 0.67 H new ATOM 0 HD1 TYR A 100 7.910 17.839 -50.195 1.00 0.98 H new ATOM 0 HD2 TYR A 100 11.857 16.629 -49.137 1.00 0.96 H new ATOM 0 HE1 TYR A 100 8.058 19.711 -48.614 1.00 1.17 H new ATOM 0 HE2 TYR A 100 12.002 18.497 -47.547 1.00 1.15 H new ATOM 0 HH TYR A 100 10.995 20.248 -46.654 1.00 1.46 H new ATOM 1597 N ASP A 101 12.285 16.312 -52.779 1.00 0.66 N ATOM 1598 CA ASP A 101 13.622 16.870 -52.990 1.00 0.78 C ATOM 1599 C ASP A 101 13.631 17.873 -54.141 1.00 0.81 C ATOM 1600 O ASP A 101 14.373 18.853 -54.118 1.00 0.93 O ATOM 1601 CB ASP A 101 14.650 15.763 -53.246 1.00 0.88 C ATOM 1602 CG ASP A 101 16.057 16.306 -53.433 1.00 1.07 C ATOM 1603 OD1 ASP A 101 16.625 16.868 -52.470 1.00 1.23 O ATOM 1604 OD2 ASP A 101 16.614 16.150 -54.543 1.00 1.14 O ATOM 0 H ASP A 101 12.226 15.300 -52.896 1.00 0.66 H new ATOM 0 HA ASP A 101 13.900 17.395 -52.076 1.00 0.78 H new ATOM 0 HB2 ASP A 101 14.642 15.064 -52.410 1.00 0.88 H new ATOM 0 HB3 ASP A 101 14.360 15.201 -54.134 1.00 0.88 H new ATOM 1609 N LYS A 102 12.798 17.639 -55.143 1.00 0.75 N ATOM 1610 CA LYS A 102 12.698 18.566 -56.265 1.00 0.84 C ATOM 1611 C LYS A 102 11.858 19.784 -55.884 1.00 0.89 C ATOM 1612 O LYS A 102 11.989 20.852 -56.480 1.00 1.05 O ATOM 1613 CB LYS A 102 12.106 17.884 -57.505 1.00 0.88 C ATOM 1614 CG LYS A 102 13.143 17.281 -58.457 1.00 1.03 C ATOM 1615 CD LYS A 102 13.461 15.822 -58.148 1.00 1.09 C ATOM 1616 CE LYS A 102 14.355 15.659 -56.930 1.00 1.86 C ATOM 1617 NZ LYS A 102 15.696 16.266 -57.124 1.00 2.66 N ATOM 0 H LYS A 102 12.186 16.825 -55.205 1.00 0.75 H new ATOM 0 HA LYS A 102 13.708 18.895 -56.510 1.00 0.84 H new ATOM 0 HB2 LYS A 102 11.428 17.095 -57.180 1.00 0.88 H new ATOM 0 HB3 LYS A 102 11.509 18.612 -58.054 1.00 0.88 H new ATOM 0 HG2 LYS A 102 12.776 17.358 -59.480 1.00 1.03 H new ATOM 0 HG3 LYS A 102 14.061 17.866 -58.403 1.00 1.03 H new ATOM 0 HD2 LYS A 102 12.530 15.279 -57.985 1.00 1.09 H new ATOM 0 HD3 LYS A 102 13.947 15.370 -59.013 1.00 1.09 H new ATOM 0 HE2 LYS A 102 13.874 16.117 -56.066 1.00 1.86 H new ATOM 0 HE3 LYS A 102 14.469 14.598 -56.706 1.00 1.86 H new ATOM 0 HZ1 LYS A 102 16.295 16.055 -56.300 1.00 2.66 H new ATOM 0 HZ2 LYS A 102 16.134 15.872 -57.981 1.00 2.66 H new ATOM 0 HZ3 LYS A 102 15.599 17.296 -57.227 1.00 2.66 H new ATOM 1631 N LEU A 103 11.012 19.620 -54.874 1.00 0.83 N ATOM 1632 CA LEU A 103 10.131 20.693 -54.426 1.00 0.97 C ATOM 1633 C LEU A 103 10.887 21.700 -53.561 1.00 1.12 C ATOM 1634 O LEU A 103 10.712 22.909 -53.708 1.00 1.31 O ATOM 1635 CB LEU A 103 8.944 20.123 -53.645 1.00 0.98 C ATOM 1636 CG LEU A 103 8.061 19.145 -54.422 1.00 0.91 C ATOM 1637 CD1 LEU A 103 6.954 18.609 -53.530 1.00 1.01 C ATOM 1638 CD2 LEU A 103 7.473 19.814 -55.656 1.00 1.00 C ATOM 0 H LEU A 103 10.917 18.751 -54.348 1.00 0.83 H new ATOM 0 HA LEU A 103 9.759 21.209 -55.311 1.00 0.97 H new ATOM 0 HB2 LEU A 103 9.323 19.618 -52.757 1.00 0.98 H new ATOM 0 HB3 LEU A 103 8.325 20.951 -53.301 1.00 0.98 H new ATOM 0 HG LEU A 103 8.680 18.309 -54.749 1.00 0.91 H new ATOM 0 HD11 LEU A 103 6.334 17.914 -54.097 1.00 1.01 H new ATOM 0 HD12 LEU A 103 7.393 18.091 -52.677 1.00 1.01 H new ATOM 0 HD13 LEU A 103 6.340 19.437 -53.175 1.00 1.01 H new ATOM 0 HD21 LEU A 103 6.848 19.101 -56.194 1.00 1.00 H new ATOM 0 HD22 LEU A 103 6.869 20.669 -55.353 1.00 1.00 H new ATOM 0 HD23 LEU A 103 8.280 20.152 -56.306 1.00 1.00 H new