USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 528 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 THR OG1 : rot -40:sc= 0.372 USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0.149 USER MOD Set 2.1: A 81 ASN : amide:sc= 0.809 K(o=1.8,f=-4.5) USER MOD Set 2.2: A 83 LYS NZ :NH3+ 169:sc= 0.945 (180deg=0) USER MOD Set 3.1: A 78 ASN : amide:sc= 0.626 K(o=0.63,f=0) USER MOD Set 3.2: A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.33 K(o=-0.33,f=-0.97) USER MOD Single : A 26 LYS NZ :NH3+ 167:sc= -0.875 (180deg=-1.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -70:sc= 1.21 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc=-0.00526 K(o=-0.0053,f=-1) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0367) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= -0.129 (180deg=-0.529!) USER MOD Single : A 54 HIS : no HD1:sc= -0.956 K(o=-0.96,f=-1.5) USER MOD Single : A 55 MET CE :methyl 173:sc= -0.559 (180deg=-0.761) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN :FLIP amide:sc= -0.293 F(o=-2.5!,f=-0.29) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00085 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 81:sc= 0.00113 USER MOD Single : A 79 GLN : amide:sc=-0.00481 K(o=-0.0048,f=-1) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.252 F(o=-2!,f=-0.25) USER MOD Single : A 91 LYS NZ :NH3+ 176:sc= 1.98 (180deg=1.84) USER MOD ----------------------------------------------------------------- ATOM 348 N GLN A 25 -9.961 0.320 -34.119 1.00 0.44 N ATOM 349 CA GLN A 25 -10.600 -0.948 -34.434 1.00 0.43 C ATOM 350 C GLN A 25 -10.750 -1.801 -33.179 1.00 0.37 C ATOM 351 O GLN A 25 -10.063 -2.813 -33.010 1.00 0.49 O ATOM 352 CB GLN A 25 -9.787 -1.693 -35.496 1.00 0.48 C ATOM 353 CG GLN A 25 -10.608 -2.637 -36.360 1.00 0.64 C ATOM 354 CD GLN A 25 -11.705 -1.922 -37.129 1.00 0.76 C ATOM 355 OE1 GLN A 25 -11.593 -0.734 -37.443 1.00 1.28 O ATOM 356 NE2 GLN A 25 -12.754 -2.648 -37.472 1.00 1.34 N ATOM 0 HA GLN A 25 -11.596 -0.749 -34.829 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -9.296 -0.963 -36.140 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -9.000 -2.263 -35.002 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -9.949 -3.145 -37.064 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -11.054 -3.406 -35.729 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -12.810 -3.628 -37.193 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -13.508 -2.229 -38.016 1.00 1.34 H new ATOM 365 N LYS A 26 -11.634 -1.375 -32.290 1.00 0.26 N ATOM 366 CA LYS A 26 -11.888 -2.116 -31.067 1.00 0.21 C ATOM 367 C LYS A 26 -13.120 -2.990 -31.227 1.00 0.24 C ATOM 368 O LYS A 26 -14.223 -2.505 -31.483 1.00 0.43 O ATOM 369 CB LYS A 26 -12.013 -1.169 -29.857 1.00 0.30 C ATOM 370 CG LYS A 26 -12.595 -1.804 -28.599 1.00 0.69 C ATOM 371 CD LYS A 26 -14.095 -1.560 -28.471 1.00 1.08 C ATOM 372 CE LYS A 26 -14.414 -0.096 -28.176 1.00 1.59 C ATOM 373 NZ LYS A 26 -13.852 0.350 -26.870 1.00 2.11 N ATOM 0 H LYS A 26 -12.185 -0.523 -32.393 1.00 0.26 H new ATOM 0 HA LYS A 26 -11.036 -2.768 -30.874 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -11.025 -0.772 -29.622 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.638 -0.322 -30.141 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -12.403 -2.877 -28.614 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -12.087 -1.401 -27.723 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -14.591 -1.860 -29.394 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -14.497 -2.186 -27.675 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -14.014 0.529 -28.974 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -15.495 0.045 -28.172 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -13.897 1.387 -26.809 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -14.404 -0.067 -26.094 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -12.862 0.042 -26.795 1.00 2.11 H new ATOM 387 N LYS A 27 -12.902 -4.279 -31.106 1.00 0.12 N ATOM 388 CA LYS A 27 -13.959 -5.263 -31.177 1.00 0.12 C ATOM 389 C LYS A 27 -14.354 -5.694 -29.773 1.00 0.13 C ATOM 390 O LYS A 27 -13.566 -5.566 -28.837 1.00 0.19 O ATOM 391 CB LYS A 27 -13.478 -6.471 -31.975 1.00 0.14 C ATOM 392 CG LYS A 27 -13.333 -6.211 -33.462 1.00 0.19 C ATOM 393 CD LYS A 27 -14.682 -6.038 -34.140 1.00 0.28 C ATOM 394 CE LYS A 27 -14.516 -5.804 -35.628 1.00 0.44 C ATOM 395 NZ LYS A 27 -15.821 -5.785 -36.339 1.00 1.27 N ATOM 0 H LYS A 27 -11.976 -4.679 -30.954 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.827 -4.828 -31.673 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.516 -6.796 -31.578 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -14.178 -7.293 -31.827 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.731 -5.316 -33.617 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -12.797 -7.040 -33.925 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -15.293 -6.925 -33.974 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -15.213 -5.197 -33.693 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -14.001 -4.857 -35.791 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -13.885 -6.586 -36.050 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -15.661 -5.622 -37.354 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -16.302 -6.697 -36.206 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -16.414 -5.022 -35.955 1.00 1.27 H new ATOM 409 N ARG A 28 -15.570 -6.190 -29.625 1.00 0.10 N ATOM 410 CA ARG A 28 -16.011 -6.720 -28.346 1.00 0.12 C ATOM 411 C ARG A 28 -16.626 -8.099 -28.523 1.00 0.09 C ATOM 412 O ARG A 28 -17.520 -8.296 -29.345 1.00 0.15 O ATOM 413 CB ARG A 28 -16.989 -5.767 -27.649 1.00 0.19 C ATOM 414 CG ARG A 28 -16.300 -4.538 -27.077 1.00 0.29 C ATOM 415 CD ARG A 28 -17.112 -3.877 -25.978 1.00 0.29 C ATOM 416 NE ARG A 28 -18.099 -2.935 -26.495 1.00 0.74 N ATOM 417 CZ ARG A 28 -18.284 -1.712 -25.993 1.00 1.15 C ATOM 418 NH1 ARG A 28 -17.478 -1.250 -25.035 1.00 1.40 N ATOM 419 NH2 ARG A 28 -19.249 -0.938 -26.477 1.00 1.65 N ATOM 0 H ARG A 28 -16.266 -6.237 -30.369 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.135 -6.814 -27.704 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -17.753 -5.453 -28.360 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.500 -6.299 -26.847 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -15.324 -4.822 -26.683 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -16.123 -3.819 -27.877 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -17.620 -4.645 -25.395 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -16.438 -3.355 -25.299 1.00 0.29 H new ATOM 0 HE ARG A 28 -18.679 -3.227 -27.282 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -16.717 -1.832 -24.684 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -17.623 -0.315 -24.654 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -19.846 -1.279 -27.230 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -19.393 -0.003 -26.095 1.00 1.65 H new ATOM 433 N ALA A 29 -16.125 -9.044 -27.746 1.00 0.08 N ATOM 434 CA ALA A 29 -16.554 -10.431 -27.827 1.00 0.07 C ATOM 435 C ALA A 29 -16.348 -11.118 -26.489 1.00 0.06 C ATOM 436 O ALA A 29 -15.886 -10.502 -25.531 1.00 0.08 O ATOM 437 CB ALA A 29 -15.808 -11.178 -28.932 1.00 0.08 C ATOM 0 H ALA A 29 -15.409 -8.872 -27.040 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.615 -10.445 -28.074 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -16.151 -12.212 -28.968 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -16.003 -10.698 -29.891 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.738 -11.157 -28.727 1.00 0.08 H new ATOM 443 N THR A 30 -16.696 -12.383 -26.423 1.00 0.06 N ATOM 444 CA THR A 30 -16.586 -13.133 -25.191 1.00 0.06 C ATOM 445 C THR A 30 -15.337 -14.013 -25.225 1.00 0.06 C ATOM 446 O THR A 30 -14.938 -14.496 -26.288 1.00 0.08 O ATOM 447 CB THR A 30 -17.829 -14.017 -24.986 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.859 -13.630 -25.912 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.365 -13.906 -23.568 1.00 0.11 C ATOM 0 H THR A 30 -17.060 -12.917 -27.212 1.00 0.06 H new ATOM 0 HA THR A 30 -16.512 -12.427 -24.364 1.00 0.06 H new ATOM 0 HB THR A 30 -17.534 -15.052 -25.162 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.648 -14.196 -25.779 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.242 -14.544 -23.460 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.597 -14.223 -22.863 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.641 -12.872 -23.363 1.00 0.11 H new ATOM 457 N VAL A 31 -14.708 -14.191 -24.074 1.00 0.08 N ATOM 458 CA VAL A 31 -13.557 -15.081 -23.969 1.00 0.10 C ATOM 459 C VAL A 31 -13.988 -16.531 -24.159 1.00 0.11 C ATOM 460 O VAL A 31 -14.850 -17.028 -23.439 1.00 0.14 O ATOM 461 CB VAL A 31 -12.849 -14.953 -22.605 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.618 -15.843 -22.548 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.465 -13.513 -22.334 1.00 0.13 C ATOM 0 H VAL A 31 -14.972 -13.734 -23.201 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.859 -14.787 -24.753 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.547 -15.279 -21.834 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.136 -15.735 -21.576 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.913 -16.882 -22.693 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.921 -15.551 -23.333 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -11.967 -13.445 -21.367 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.790 -13.163 -23.115 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.361 -12.893 -22.325 1.00 0.13 H new ATOM 473 N ASP A 32 -13.382 -17.196 -25.128 1.00 0.12 N ATOM 474 CA ASP A 32 -13.655 -18.602 -25.396 1.00 0.15 C ATOM 475 C ASP A 32 -12.967 -19.484 -24.360 1.00 0.15 C ATOM 476 O ASP A 32 -13.553 -20.440 -23.850 1.00 0.19 O ATOM 477 CB ASP A 32 -13.176 -18.963 -26.806 1.00 0.21 C ATOM 478 CG ASP A 32 -12.973 -20.458 -26.998 1.00 0.34 C ATOM 479 OD1 ASP A 32 -11.804 -20.904 -27.020 1.00 0.46 O ATOM 480 OD2 ASP A 32 -13.970 -21.193 -27.140 1.00 0.60 O ATOM 0 H ASP A 32 -12.689 -16.780 -25.750 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.730 -18.772 -25.332 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.903 -18.604 -27.534 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -12.239 -18.445 -27.009 1.00 0.21 H new ATOM 485 N SER A 33 -11.732 -19.133 -24.031 1.00 0.14 N ATOM 486 CA SER A 33 -10.937 -19.909 -23.101 1.00 0.18 C ATOM 487 C SER A 33 -9.665 -19.156 -22.750 1.00 0.13 C ATOM 488 O SER A 33 -9.274 -18.224 -23.451 1.00 0.14 O ATOM 489 CB SER A 33 -10.598 -21.283 -23.698 1.00 0.27 C ATOM 490 OG SER A 33 -10.060 -21.160 -25.006 1.00 1.07 O ATOM 0 H SER A 33 -11.259 -18.308 -24.400 1.00 0.14 H new ATOM 0 HA SER A 33 -11.517 -20.065 -22.191 1.00 0.18 H new ATOM 0 HB2 SER A 33 -9.882 -21.794 -23.055 1.00 0.27 H new ATOM 0 HB3 SER A 33 -11.496 -21.900 -23.729 1.00 0.27 H new ATOM 0 HG SER A 33 -10.764 -20.869 -25.623 1.00 1.07 H new ATOM 496 N ILE A 34 -9.036 -19.547 -21.656 1.00 0.16 N ATOM 497 CA ILE A 34 -7.770 -18.962 -21.251 1.00 0.14 C ATOM 498 C ILE A 34 -6.789 -20.057 -20.860 1.00 0.16 C ATOM 499 O ILE A 34 -7.113 -20.951 -20.078 1.00 0.19 O ATOM 500 CB ILE A 34 -7.942 -17.936 -20.102 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.386 -16.586 -20.676 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.653 -17.775 -19.303 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.642 -15.519 -19.630 1.00 0.17 C ATOM 0 H ILE A 34 -9.384 -20.272 -21.028 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.369 -18.415 -22.105 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.708 -18.309 -19.422 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.621 -16.227 -21.365 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.295 -16.733 -21.259 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -6.808 -17.049 -18.505 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.371 -18.735 -18.870 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.858 -17.426 -19.962 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -8.952 -14.596 -20.120 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.430 -15.853 -18.955 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -7.729 -15.340 -19.062 1.00 0.17 H new ATOM 515 N LYS A 35 -5.602 -19.986 -21.437 1.00 0.17 N ATOM 516 CA LYS A 35 -4.564 -20.972 -21.222 1.00 0.21 C ATOM 517 C LYS A 35 -3.329 -20.311 -20.615 1.00 0.20 C ATOM 518 O LYS A 35 -2.504 -19.738 -21.331 1.00 0.22 O ATOM 519 CB LYS A 35 -4.196 -21.646 -22.546 1.00 0.24 C ATOM 520 CG LYS A 35 -5.386 -22.256 -23.268 1.00 0.34 C ATOM 521 CD LYS A 35 -6.084 -23.301 -22.411 1.00 0.47 C ATOM 522 CE LYS A 35 -7.467 -23.619 -22.943 1.00 0.64 C ATOM 523 NZ LYS A 35 -7.422 -24.320 -24.255 1.00 1.56 N ATOM 0 H LYS A 35 -5.332 -19.235 -22.073 1.00 0.17 H new ATOM 0 HA LYS A 35 -4.937 -21.728 -20.531 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.722 -20.912 -23.198 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.459 -22.426 -22.355 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.093 -21.470 -23.533 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -5.052 -22.712 -24.200 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -5.485 -24.211 -22.384 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -6.161 -22.940 -21.385 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -7.998 -24.239 -22.221 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -8.035 -22.694 -23.047 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -8.391 -24.516 -24.577 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -6.940 -23.719 -24.953 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -6.904 -25.216 -24.152 1.00 1.56 H new ATOM 537 N GLY A 36 -3.225 -20.359 -19.295 1.00 0.25 N ATOM 538 CA GLY A 36 -2.096 -19.752 -18.616 1.00 0.28 C ATOM 539 C GLY A 36 -2.112 -18.236 -18.714 1.00 0.24 C ATOM 540 O GLY A 36 -3.008 -17.587 -18.181 1.00 0.29 O ATOM 0 H GLY A 36 -3.903 -20.808 -18.680 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -2.105 -20.046 -17.566 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.169 -20.132 -19.046 1.00 0.28 H new ATOM 544 N GLN A 37 -1.127 -17.677 -19.410 1.00 0.21 N ATOM 545 CA GLN A 37 -1.033 -16.228 -19.605 1.00 0.20 C ATOM 546 C GLN A 37 -1.642 -15.842 -20.944 1.00 0.17 C ATOM 547 O GLN A 37 -1.425 -14.743 -21.434 1.00 0.21 O ATOM 548 CB GLN A 37 0.431 -15.765 -19.587 1.00 0.24 C ATOM 549 CG GLN A 37 1.263 -16.354 -18.463 1.00 0.36 C ATOM 550 CD GLN A 37 2.651 -15.746 -18.371 1.00 1.27 C ATOM 551 OE1 GLN A 37 3.599 -16.225 -18.992 1.00 2.10 O ATOM 552 NE2 GLN A 37 2.783 -14.688 -17.583 1.00 1.94 N ATOM 0 H GLN A 37 -0.376 -18.207 -19.852 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.574 -15.748 -18.790 1.00 0.20 H new ATOM 0 HB2 GLN A 37 0.893 -16.026 -20.539 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.454 -14.678 -19.508 1.00 0.24 H new ATOM 0 HG2 GLN A 37 0.743 -16.204 -17.517 1.00 0.36 H new ATOM 0 HG3 GLN A 37 1.353 -17.430 -18.610 1.00 0.36 H new ATOM 0 HE21 GLN A 37 1.973 -14.319 -17.084 1.00 1.94 H new ATOM 0 HE22 GLN A 37 3.694 -14.243 -17.476 1.00 1.94 H new ATOM 561 N PHE A 38 -2.393 -16.746 -21.543 1.00 0.13 N ATOM 562 CA PHE A 38 -2.931 -16.498 -22.869 1.00 0.11 C ATOM 563 C PHE A 38 -4.420 -16.733 -22.901 1.00 0.10 C ATOM 564 O PHE A 38 -4.926 -17.650 -22.273 1.00 0.12 O ATOM 565 CB PHE A 38 -2.225 -17.371 -23.907 1.00 0.13 C ATOM 566 CG PHE A 38 -0.763 -17.061 -24.008 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.307 -16.101 -24.897 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.151 -17.704 -23.190 1.00 0.23 C ATOM 569 CE1 PHE A 38 1.033 -15.785 -24.963 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.492 -17.396 -23.256 1.00 0.29 C ATOM 571 CZ PHE A 38 1.931 -16.434 -24.142 1.00 0.32 C ATOM 0 H PHE A 38 -2.643 -17.649 -21.140 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.750 -15.452 -23.117 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.355 -18.421 -23.645 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.693 -17.226 -24.880 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.008 -15.595 -25.544 1.00 0.21 H new ATOM 0 HD2 PHE A 38 -0.191 -18.455 -22.493 1.00 0.23 H new ATOM 0 HE1 PHE A 38 1.379 -15.032 -25.655 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.197 -17.906 -22.616 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.981 -16.188 -24.193 1.00 0.32 H new ATOM 581 N GLY A 39 -5.117 -15.890 -23.623 1.00 0.09 N ATOM 582 CA GLY A 39 -6.542 -16.024 -23.726 1.00 0.09 C ATOM 583 C GLY A 39 -6.990 -16.056 -25.158 1.00 0.09 C ATOM 584 O GLY A 39 -6.268 -15.609 -26.051 1.00 0.11 O ATOM 0 H GLY A 39 -4.719 -15.109 -24.144 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.860 -16.938 -23.224 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -7.025 -15.193 -23.211 1.00 0.09 H new ATOM 588 N PHE A 40 -8.167 -16.596 -25.385 1.00 0.09 N ATOM 589 CA PHE A 40 -8.732 -16.658 -26.718 1.00 0.10 C ATOM 590 C PHE A 40 -10.166 -16.180 -26.674 1.00 0.10 C ATOM 591 O PHE A 40 -10.882 -16.436 -25.706 1.00 0.18 O ATOM 592 CB PHE A 40 -8.666 -18.085 -27.272 1.00 0.12 C ATOM 593 CG PHE A 40 -7.268 -18.634 -27.345 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.682 -19.221 -26.235 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.538 -18.546 -28.518 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.393 -19.714 -26.293 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.248 -19.039 -28.584 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.674 -19.624 -27.470 1.00 0.17 C ATOM 0 H PHE A 40 -8.757 -17.002 -24.658 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.152 -16.014 -27.379 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.273 -18.738 -26.645 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -9.107 -18.100 -28.269 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.240 -19.294 -25.313 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -6.981 -18.088 -29.390 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -4.948 -20.169 -25.420 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.689 -18.967 -29.505 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.666 -20.010 -27.520 1.00 0.17 H new ATOM 608 N LEU A 41 -10.575 -15.474 -27.704 1.00 0.10 N ATOM 609 CA LEU A 41 -11.912 -14.919 -27.755 1.00 0.09 C ATOM 610 C LEU A 41 -12.661 -15.538 -28.909 1.00 0.09 C ATOM 611 O LEU A 41 -12.046 -15.966 -29.888 1.00 0.13 O ATOM 612 CB LEU A 41 -11.846 -13.399 -27.910 1.00 0.09 C ATOM 613 CG LEU A 41 -10.750 -12.734 -27.085 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.449 -11.343 -27.605 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.166 -12.678 -25.632 1.00 0.53 C ATOM 0 H LEU A 41 -10.000 -15.269 -28.521 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.437 -15.143 -26.826 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.690 -13.159 -28.962 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.808 -12.974 -27.625 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.840 -13.328 -27.172 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.664 -10.890 -26.999 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -10.117 -11.406 -28.641 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.349 -10.731 -27.549 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.379 -12.202 -25.046 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.087 -12.102 -25.539 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.332 -13.690 -25.262 1.00 0.53 H new ATOM 627 N ASN A 42 -13.977 -15.606 -28.799 1.00 0.11 N ATOM 628 CA ASN A 42 -14.786 -16.169 -29.868 1.00 0.15 C ATOM 629 C ASN A 42 -14.878 -15.172 -31.019 1.00 0.14 C ATOM 630 O ASN A 42 -15.890 -14.500 -31.215 1.00 0.17 O ATOM 631 CB ASN A 42 -16.177 -16.570 -29.360 1.00 0.22 C ATOM 632 CG ASN A 42 -16.974 -17.351 -30.390 1.00 0.79 C ATOM 633 OD1 ASN A 42 -16.412 -18.010 -31.267 1.00 1.53 O ATOM 634 ND2 ASN A 42 -18.293 -17.303 -30.275 1.00 1.37 N ATOM 0 H ASN A 42 -14.505 -15.282 -27.988 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.307 -17.078 -30.232 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -16.070 -17.171 -28.457 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.730 -15.673 -29.082 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -18.881 -17.823 -30.926 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -18.720 -16.746 -29.535 1.00 1.37 H new ATOM 641 N PHE A 43 -13.770 -15.051 -31.734 1.00 0.12 N ATOM 642 CA PHE A 43 -13.662 -14.171 -32.881 1.00 0.13 C ATOM 643 C PHE A 43 -12.705 -14.798 -33.889 1.00 0.16 C ATOM 644 O PHE A 43 -11.508 -14.903 -33.628 1.00 0.18 O ATOM 645 CB PHE A 43 -13.151 -12.789 -32.452 1.00 0.12 C ATOM 646 CG PHE A 43 -13.415 -11.711 -33.466 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.568 -10.950 -33.394 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.514 -11.459 -34.487 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.821 -9.958 -34.322 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.759 -10.469 -35.418 1.00 0.27 C ATOM 651 CZ PHE A 43 -13.915 -9.717 -35.335 1.00 0.28 C ATOM 0 H PHE A 43 -12.914 -15.567 -31.530 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.644 -14.041 -33.335 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.622 -12.513 -31.509 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -12.078 -12.848 -32.267 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -15.279 -11.134 -32.602 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.609 -12.044 -34.556 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.726 -9.372 -34.255 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -12.048 -10.283 -36.210 1.00 0.27 H new ATOM 0 HZ PHE A 43 -14.109 -8.942 -36.062 1.00 0.28 H new ATOM 661 N GLU A 44 -13.229 -15.240 -35.018 1.00 0.23 N ATOM 662 CA GLU A 44 -12.412 -15.911 -36.018 1.00 0.30 C ATOM 663 C GLU A 44 -12.154 -15.008 -37.209 1.00 0.29 C ATOM 664 O GLU A 44 -13.045 -14.738 -38.018 1.00 0.39 O ATOM 665 CB GLU A 44 -13.062 -17.228 -36.428 1.00 0.44 C ATOM 666 CG GLU A 44 -13.015 -18.245 -35.300 1.00 0.60 C ATOM 667 CD GLU A 44 -13.689 -19.553 -35.627 1.00 1.14 C ATOM 668 OE1 GLU A 44 -13.265 -20.587 -35.071 1.00 1.81 O ATOM 669 OE2 GLU A 44 -14.633 -19.559 -36.433 1.00 1.57 O ATOM 0 H GLU A 44 -14.214 -15.148 -35.267 1.00 0.23 H new ATOM 0 HA GLU A 44 -11.440 -16.140 -35.582 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.098 -17.050 -36.716 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -12.552 -17.630 -37.304 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -11.974 -18.439 -35.042 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -13.487 -17.815 -34.417 1.00 0.60 H new ATOM 676 N VAL A 45 -10.918 -14.535 -37.287 1.00 0.30 N ATOM 677 CA VAL A 45 -10.507 -13.581 -38.307 1.00 0.38 C ATOM 678 C VAL A 45 -10.363 -14.234 -39.681 1.00 0.45 C ATOM 679 O VAL A 45 -11.001 -13.812 -40.645 1.00 0.58 O ATOM 680 CB VAL A 45 -9.182 -12.876 -37.914 1.00 0.44 C ATOM 681 CG1 VAL A 45 -9.446 -11.853 -36.824 1.00 0.85 C ATOM 682 CG2 VAL A 45 -8.140 -13.876 -37.435 1.00 0.71 C ATOM 0 H VAL A 45 -10.172 -14.802 -36.645 1.00 0.30 H new ATOM 0 HA VAL A 45 -11.298 -12.834 -38.372 1.00 0.38 H new ATOM 0 HB VAL A 45 -8.791 -12.378 -38.801 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.512 -11.361 -36.552 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -10.155 -11.109 -37.187 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -9.861 -12.353 -35.949 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -7.225 -13.348 -37.168 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -8.520 -14.408 -36.563 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -7.928 -14.590 -38.231 1.00 0.71 H new ATOM 692 N GLU A 46 -9.552 -15.280 -39.758 1.00 0.51 N ATOM 693 CA GLU A 46 -9.179 -15.872 -41.024 1.00 0.61 C ATOM 694 C GLU A 46 -9.236 -17.396 -40.945 1.00 0.62 C ATOM 695 O GLU A 46 -8.551 -17.997 -40.127 1.00 0.97 O ATOM 696 CB GLU A 46 -7.763 -15.393 -41.361 1.00 0.75 C ATOM 697 CG GLU A 46 -6.991 -16.314 -42.274 1.00 0.88 C ATOM 698 CD GLU A 46 -7.466 -16.260 -43.710 1.00 1.35 C ATOM 699 OE1 GLU A 46 -7.944 -17.292 -44.219 1.00 2.24 O ATOM 700 OE2 GLU A 46 -7.346 -15.189 -44.342 1.00 1.57 O ATOM 0 H GLU A 46 -9.138 -15.737 -38.945 1.00 0.51 H new ATOM 0 HA GLU A 46 -9.874 -15.567 -41.806 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -7.827 -14.410 -41.827 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.204 -15.270 -40.433 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -5.934 -16.051 -42.237 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -7.078 -17.337 -41.907 1.00 0.88 H new ATOM 707 N ASP A 47 -10.083 -18.010 -41.762 1.00 0.85 N ATOM 708 CA ASP A 47 -10.121 -19.474 -41.887 1.00 0.84 C ATOM 709 C ASP A 47 -10.491 -20.157 -40.561 1.00 0.83 C ATOM 710 O ASP A 47 -10.321 -21.364 -40.392 1.00 1.18 O ATOM 711 CB ASP A 47 -8.756 -19.974 -42.388 1.00 0.90 C ATOM 712 CG ASP A 47 -8.722 -21.462 -42.671 1.00 1.18 C ATOM 713 OD1 ASP A 47 -9.358 -21.902 -43.651 1.00 1.30 O ATOM 714 OD2 ASP A 47 -8.047 -22.200 -41.920 1.00 1.55 O ATOM 0 H ASP A 47 -10.757 -17.522 -42.352 1.00 0.85 H new ATOM 0 HA ASP A 47 -10.898 -19.735 -42.605 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -8.492 -19.434 -43.297 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -7.996 -19.737 -41.644 1.00 0.90 H new ATOM 719 N GLY A 48 -11.038 -19.390 -39.637 1.00 0.65 N ATOM 720 CA GLY A 48 -11.335 -19.927 -38.329 1.00 0.67 C ATOM 721 C GLY A 48 -10.195 -19.718 -37.355 1.00 0.58 C ATOM 722 O GLY A 48 -9.980 -20.534 -36.457 1.00 0.66 O ATOM 0 H GLY A 48 -11.282 -18.408 -39.767 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.236 -19.453 -37.939 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -11.547 -20.993 -38.415 1.00 0.67 H new ATOM 726 N LYS A 49 -9.449 -18.631 -37.531 1.00 0.48 N ATOM 727 CA LYS A 49 -8.388 -18.289 -36.597 1.00 0.44 C ATOM 728 C LYS A 49 -9.017 -17.727 -35.340 1.00 0.36 C ATOM 729 O LYS A 49 -9.566 -16.626 -35.364 1.00 0.35 O ATOM 730 CB LYS A 49 -7.431 -17.236 -37.174 1.00 0.50 C ATOM 731 CG LYS A 49 -6.467 -17.732 -38.238 1.00 0.71 C ATOM 732 CD LYS A 49 -5.490 -18.762 -37.708 1.00 0.93 C ATOM 733 CE LYS A 49 -4.313 -18.929 -38.656 1.00 1.41 C ATOM 734 NZ LYS A 49 -4.737 -19.349 -40.021 1.00 2.50 N ATOM 0 H LYS A 49 -9.560 -17.978 -38.307 1.00 0.48 H new ATOM 0 HA LYS A 49 -7.814 -19.193 -36.391 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.025 -16.426 -37.598 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -6.851 -16.811 -36.355 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -7.034 -18.165 -39.062 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -5.912 -16.886 -38.643 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -5.131 -18.457 -36.725 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -5.997 -19.718 -37.579 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -3.767 -17.988 -38.722 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -3.624 -19.669 -38.249 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -3.897 -19.580 -40.590 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -5.350 -20.187 -39.952 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -5.260 -18.574 -40.476 1.00 2.50 H new ATOM 748 N LYS A 50 -8.952 -18.473 -34.256 1.00 0.37 N ATOM 749 CA LYS A 50 -9.508 -18.011 -33.002 1.00 0.32 C ATOM 750 C LYS A 50 -8.595 -16.937 -32.429 1.00 0.27 C ATOM 751 O LYS A 50 -7.401 -17.173 -32.233 1.00 0.36 O ATOM 752 CB LYS A 50 -9.656 -19.175 -32.023 1.00 0.41 C ATOM 753 CG LYS A 50 -10.639 -18.911 -30.891 1.00 0.47 C ATOM 754 CD LYS A 50 -12.088 -18.860 -31.376 1.00 0.47 C ATOM 755 CE LYS A 50 -12.733 -20.243 -31.449 1.00 0.69 C ATOM 756 NZ LYS A 50 -12.281 -21.046 -32.622 1.00 1.32 N ATOM 0 H LYS A 50 -8.522 -19.397 -34.218 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.500 -17.592 -33.171 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -9.979 -20.059 -32.572 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -8.679 -19.404 -31.596 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -10.539 -19.692 -30.137 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -10.387 -17.967 -30.408 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -12.669 -18.227 -30.706 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -12.121 -18.395 -32.361 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -12.506 -20.790 -30.534 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -13.816 -20.129 -31.492 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -12.884 -21.887 -32.720 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -12.349 -20.469 -33.485 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -11.294 -21.342 -32.480 1.00 1.32 H new ATOM 770 N LEU A 51 -9.153 -15.759 -32.200 1.00 0.19 N ATOM 771 CA LEU A 51 -8.374 -14.624 -31.729 1.00 0.13 C ATOM 772 C LEU A 51 -7.707 -14.918 -30.399 1.00 0.12 C ATOM 773 O LEU A 51 -8.366 -15.314 -29.436 1.00 0.16 O ATOM 774 CB LEU A 51 -9.240 -13.377 -31.594 1.00 0.13 C ATOM 775 CG LEU A 51 -8.984 -12.299 -32.651 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.786 -11.051 -32.348 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.506 -11.957 -32.728 1.00 0.16 C ATOM 0 H LEU A 51 -10.145 -15.563 -32.333 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.601 -14.443 -32.476 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.288 -13.673 -31.643 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -9.077 -12.944 -30.607 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.301 -12.696 -33.615 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.589 -10.298 -33.111 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.849 -11.294 -32.343 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.498 -10.662 -31.371 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.349 -11.189 -33.486 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.167 -11.587 -31.760 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -6.939 -12.850 -32.993 1.00 0.16 H new ATOM 789 N PHE A 52 -6.400 -14.717 -30.352 1.00 0.12 N ATOM 790 CA PHE A 52 -5.651 -14.919 -29.126 1.00 0.11 C ATOM 791 C PHE A 52 -5.211 -13.581 -28.552 1.00 0.10 C ATOM 792 O PHE A 52 -5.201 -12.562 -29.250 1.00 0.12 O ATOM 793 CB PHE A 52 -4.422 -15.810 -29.371 1.00 0.14 C ATOM 794 CG PHE A 52 -3.285 -15.117 -30.078 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.266 -15.002 -31.459 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.229 -14.581 -29.352 1.00 0.28 C ATOM 797 CE1 PHE A 52 -2.219 -14.366 -32.101 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.182 -13.943 -29.988 1.00 0.37 C ATOM 799 CZ PHE A 52 -1.177 -13.836 -31.366 1.00 0.39 C ATOM 0 H PHE A 52 -5.838 -14.415 -31.148 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.304 -15.420 -28.411 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -4.063 -16.186 -28.413 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.727 -16.676 -29.959 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -4.078 -15.414 -32.040 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.227 -14.664 -28.275 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -2.216 -14.284 -33.178 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.369 -13.529 -29.410 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.360 -13.339 -31.867 1.00 0.39 H new ATOM 809 N PHE A 53 -4.860 -13.595 -27.281 1.00 0.10 N ATOM 810 CA PHE A 53 -4.287 -12.435 -26.626 1.00 0.10 C ATOM 811 C PHE A 53 -3.398 -12.895 -25.482 1.00 0.11 C ATOM 812 O PHE A 53 -3.609 -13.976 -24.927 1.00 0.13 O ATOM 813 CB PHE A 53 -5.397 -11.493 -26.124 1.00 0.10 C ATOM 814 CG PHE A 53 -6.219 -12.018 -24.977 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.755 -11.922 -23.676 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.463 -12.589 -25.196 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.507 -12.383 -22.619 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.220 -13.054 -24.139 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.741 -12.951 -22.847 1.00 0.14 C ATOM 0 H PHE A 53 -4.964 -14.408 -26.674 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.682 -11.876 -27.340 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -4.941 -10.551 -25.821 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -6.065 -11.270 -26.956 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.788 -11.479 -23.488 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.844 -12.671 -26.203 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -6.129 -12.299 -21.611 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.187 -13.498 -24.322 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.332 -13.314 -22.019 1.00 0.14 H new ATOM 829 N HIS A 54 -2.391 -12.107 -25.152 1.00 0.13 N ATOM 830 CA HIS A 54 -1.550 -12.396 -24.006 1.00 0.15 C ATOM 831 C HIS A 54 -2.100 -11.641 -22.793 1.00 0.15 C ATOM 832 O HIS A 54 -2.796 -10.637 -22.939 1.00 0.16 O ATOM 833 CB HIS A 54 -0.090 -12.010 -24.289 1.00 0.18 C ATOM 834 CG HIS A 54 0.851 -12.331 -23.164 1.00 0.21 C ATOM 835 ND1 HIS A 54 1.634 -11.399 -22.519 1.00 0.34 N ATOM 836 CD2 HIS A 54 1.102 -13.513 -22.551 1.00 0.25 C ATOM 837 CE1 HIS A 54 2.317 -12.034 -21.553 1.00 0.34 C ATOM 838 NE2 HIS A 54 2.026 -13.317 -21.533 1.00 0.27 N ATOM 0 H HIS A 54 -2.136 -11.261 -25.662 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.563 -13.466 -23.800 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.245 -12.526 -25.189 1.00 0.18 H new ATOM 0 HB3 HIS A 54 -0.041 -10.941 -24.498 1.00 0.18 H new ATOM 0 HD2 HIS A 54 0.653 -14.460 -22.813 1.00 0.25 H new ATOM 0 HE1 HIS A 54 3.013 -11.555 -20.881 1.00 0.34 H new ATOM 0 HE2 HIS A 54 2.402 -14.023 -20.900 1.00 0.27 H new ATOM 846 N MET A 55 -1.791 -12.130 -21.604 1.00 0.16 N ATOM 847 CA MET A 55 -2.311 -11.560 -20.366 1.00 0.17 C ATOM 848 C MET A 55 -1.668 -10.198 -20.058 1.00 0.17 C ATOM 849 O MET A 55 -1.936 -9.594 -19.022 1.00 0.27 O ATOM 850 CB MET A 55 -2.077 -12.556 -19.222 1.00 0.24 C ATOM 851 CG MET A 55 -2.821 -12.231 -17.940 1.00 0.76 C ATOM 852 SD MET A 55 -2.669 -13.520 -16.687 1.00 1.86 S ATOM 853 CE MET A 55 -3.794 -14.757 -17.335 1.00 2.43 C ATOM 0 H MET A 55 -1.175 -12.931 -21.466 1.00 0.16 H new ATOM 0 HA MET A 55 -3.381 -11.383 -20.478 1.00 0.17 H new ATOM 0 HB2 MET A 55 -2.374 -13.550 -19.557 1.00 0.24 H new ATOM 0 HB3 MET A 55 -1.009 -12.598 -19.007 1.00 0.24 H new ATOM 0 HG2 MET A 55 -2.442 -11.293 -17.535 1.00 0.76 H new ATOM 0 HG3 MET A 55 -3.876 -12.077 -18.168 1.00 0.76 H new ATOM 0 HE1 MET A 55 -3.718 -15.666 -16.739 1.00 2.43 H new ATOM 0 HE2 MET A 55 -4.815 -14.379 -17.291 1.00 2.43 H new ATOM 0 HE3 MET A 55 -3.534 -14.979 -18.370 1.00 2.43 H new ATOM 863 N SER A 56 -0.823 -9.713 -20.962 1.00 0.16 N ATOM 864 CA SER A 56 -0.229 -8.393 -20.807 1.00 0.19 C ATOM 865 C SER A 56 -1.139 -7.340 -21.435 1.00 0.17 C ATOM 866 O SER A 56 -1.137 -6.177 -21.027 1.00 0.24 O ATOM 867 CB SER A 56 1.164 -8.343 -21.444 1.00 0.26 C ATOM 868 OG SER A 56 1.827 -7.122 -21.154 1.00 0.91 O ATOM 0 H SER A 56 -0.536 -10.212 -21.804 1.00 0.16 H new ATOM 0 HA SER A 56 -0.121 -8.183 -19.743 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.762 -9.178 -21.079 1.00 0.26 H new ATOM 0 HB3 SER A 56 1.076 -8.462 -22.524 1.00 0.26 H new ATOM 0 HG SER A 56 2.713 -7.123 -21.573 1.00 0.91 H new ATOM 874 N GLU A 57 -1.910 -7.761 -22.435 1.00 0.14 N ATOM 875 CA GLU A 57 -2.893 -6.903 -23.074 1.00 0.17 C ATOM 876 C GLU A 57 -4.141 -6.826 -22.211 1.00 0.16 C ATOM 877 O GLU A 57 -4.999 -5.964 -22.409 1.00 0.20 O ATOM 878 CB GLU A 57 -3.259 -7.440 -24.467 1.00 0.22 C ATOM 879 CG GLU A 57 -2.089 -7.518 -25.447 1.00 0.32 C ATOM 880 CD GLU A 57 -1.267 -8.791 -25.295 1.00 1.10 C ATOM 881 OE1 GLU A 57 -1.446 -9.717 -26.116 1.00 1.96 O ATOM 882 OE2 GLU A 57 -0.448 -8.872 -24.355 1.00 1.20 O ATOM 0 H GLU A 57 -1.868 -8.704 -22.821 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.464 -5.907 -23.188 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -3.690 -8.435 -24.357 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.033 -6.803 -24.896 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -2.472 -7.459 -26.466 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -1.441 -6.654 -25.299 1.00 0.32 H new ATOM 889 N VAL A 58 -4.223 -7.752 -21.264 1.00 0.17 N ATOM 890 CA VAL A 58 -5.339 -7.849 -20.336 1.00 0.17 C ATOM 891 C VAL A 58 -5.458 -6.604 -19.452 1.00 0.20 C ATOM 892 O VAL A 58 -4.477 -5.891 -19.216 1.00 0.27 O ATOM 893 CB VAL A 58 -5.214 -9.138 -19.475 1.00 0.16 C ATOM 894 CG1 VAL A 58 -5.761 -8.956 -18.062 1.00 0.27 C ATOM 895 CG2 VAL A 58 -5.927 -10.290 -20.162 1.00 0.22 C ATOM 0 H VAL A 58 -3.508 -8.464 -21.118 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.256 -7.909 -20.923 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.151 -9.360 -19.381 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -5.648 -9.886 -17.506 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -5.209 -8.163 -17.558 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -6.817 -8.689 -18.112 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -5.835 -11.190 -19.553 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -6.981 -10.043 -20.287 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.477 -10.466 -21.139 1.00 0.22 H new ATOM 905 N GLN A 59 -6.694 -6.353 -19.019 1.00 0.20 N ATOM 906 CA GLN A 59 -7.043 -5.277 -18.100 1.00 0.25 C ATOM 907 C GLN A 59 -6.053 -5.213 -16.926 1.00 0.34 C ATOM 908 O GLN A 59 -5.398 -6.204 -16.616 1.00 0.57 O ATOM 909 CB GLN A 59 -8.478 -5.531 -17.606 1.00 0.31 C ATOM 910 CG GLN A 59 -9.208 -4.297 -17.091 1.00 0.41 C ATOM 911 CD GLN A 59 -9.059 -4.088 -15.591 1.00 0.77 C ATOM 912 OE1 GLN A 59 -8.947 -5.175 -14.836 1.00 1.60 O flip ATOM 913 NE2 GLN A 59 -9.055 -2.957 -15.111 1.00 1.25 N flip ATOM 0 H GLN A 59 -7.499 -6.909 -19.307 1.00 0.20 H new ATOM 0 HA GLN A 59 -6.988 -4.314 -18.608 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.057 -5.963 -18.423 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -8.446 -6.275 -16.810 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -8.831 -3.417 -17.612 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.267 -4.382 -17.335 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -9.143 -2.144 -15.721 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -8.964 -2.831 -14.103 1.00 1.25 H new ATOM 922 N GLY A 60 -5.976 -4.050 -16.269 1.00 0.40 N ATOM 923 CA GLY A 60 -4.960 -3.801 -15.246 1.00 0.49 C ATOM 924 C GLY A 60 -4.762 -4.941 -14.259 1.00 0.44 C ATOM 925 O GLY A 60 -3.658 -5.152 -13.760 1.00 0.58 O ATOM 0 H GLY A 60 -6.608 -3.266 -16.430 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -4.010 -3.596 -15.739 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -5.233 -2.902 -14.693 1.00 0.49 H new ATOM 929 N ASN A 61 -5.825 -5.668 -13.960 1.00 0.47 N ATOM 930 CA ASN A 61 -5.699 -6.859 -13.144 1.00 0.52 C ATOM 931 C ASN A 61 -5.802 -8.088 -14.019 1.00 0.52 C ATOM 932 O ASN A 61 -6.788 -8.274 -14.737 1.00 0.49 O ATOM 933 CB ASN A 61 -6.756 -6.916 -12.057 1.00 0.63 C ATOM 934 CG ASN A 61 -6.655 -5.763 -11.085 1.00 1.27 C ATOM 935 OD1 ASN A 61 -7.254 -4.706 -11.291 1.00 2.20 O ATOM 936 ND2 ASN A 61 -5.906 -5.963 -10.014 1.00 1.71 N ATOM 0 H ASN A 61 -6.774 -5.456 -14.267 1.00 0.47 H new ATOM 0 HA ASN A 61 -4.724 -6.826 -12.657 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -7.744 -6.913 -12.516 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -6.661 -7.855 -11.512 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -5.806 -5.225 -9.317 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -5.428 -6.855 -9.885 1.00 1.71 H new ATOM 943 N THR A 62 -4.799 -8.930 -13.928 1.00 0.62 N ATOM 944 CA THR A 62 -4.645 -10.053 -14.826 1.00 0.71 C ATOM 945 C THR A 62 -5.548 -11.215 -14.444 1.00 0.70 C ATOM 946 O THR A 62 -6.095 -11.901 -15.305 1.00 0.82 O ATOM 947 CB THR A 62 -3.179 -10.498 -14.832 1.00 0.86 C ATOM 948 OG1 THR A 62 -2.767 -10.837 -13.500 1.00 0.87 O ATOM 949 CG2 THR A 62 -2.314 -9.368 -15.352 1.00 0.95 C ATOM 0 H THR A 62 -4.063 -8.856 -13.226 1.00 0.62 H new ATOM 0 HA THR A 62 -4.940 -9.733 -15.825 1.00 0.71 H new ATOM 0 HB THR A 62 -3.071 -11.371 -15.475 1.00 0.86 H new ATOM 0 HG1 THR A 62 -1.830 -11.122 -13.510 1.00 0.87 H new ATOM 0 HG21 THR A 62 -1.270 -9.682 -15.357 1.00 0.95 H new ATOM 0 HG22 THR A 62 -2.621 -9.112 -16.366 1.00 0.95 H new ATOM 0 HG23 THR A 62 -2.428 -8.497 -14.707 1.00 0.95 H new ATOM 957 N VAL A 63 -5.719 -11.413 -13.146 1.00 0.63 N ATOM 958 CA VAL A 63 -6.553 -12.489 -12.641 1.00 0.71 C ATOM 959 C VAL A 63 -8.013 -12.027 -12.540 1.00 0.64 C ATOM 960 O VAL A 63 -8.877 -12.735 -12.023 1.00 0.74 O ATOM 961 CB VAL A 63 -6.054 -12.971 -11.256 1.00 0.84 C ATOM 962 CG1 VAL A 63 -6.663 -14.320 -10.890 1.00 1.39 C ATOM 963 CG2 VAL A 63 -4.536 -13.050 -11.228 1.00 1.31 C ATOM 0 H VAL A 63 -5.288 -10.839 -12.421 1.00 0.63 H new ATOM 0 HA VAL A 63 -6.490 -13.323 -13.340 1.00 0.71 H new ATOM 0 HB VAL A 63 -6.377 -12.241 -10.514 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -6.294 -14.633 -9.913 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -7.749 -14.232 -10.857 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -6.382 -15.061 -11.638 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -4.207 -13.391 -10.246 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -4.194 -13.752 -11.989 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -4.117 -12.064 -11.429 1.00 1.31 H new ATOM 973 N ALA A 64 -8.281 -10.833 -13.055 1.00 0.55 N ATOM 974 CA ALA A 64 -9.625 -10.271 -13.019 1.00 0.53 C ATOM 975 C ALA A 64 -10.327 -10.446 -14.356 1.00 0.44 C ATOM 976 O ALA A 64 -11.487 -10.069 -14.510 1.00 0.56 O ATOM 977 CB ALA A 64 -9.582 -8.802 -12.635 1.00 0.57 C ATOM 0 H ALA A 64 -7.586 -10.236 -13.502 1.00 0.55 H new ATOM 0 HA ALA A 64 -10.193 -10.813 -12.262 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -10.596 -8.402 -12.614 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -9.130 -8.697 -11.649 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -8.990 -8.252 -13.366 1.00 0.57 H new ATOM 983 N LEU A 65 -9.621 -10.999 -15.332 1.00 0.35 N ATOM 984 CA LEU A 65 -10.229 -11.290 -16.616 1.00 0.25 C ATOM 985 C LEU A 65 -10.469 -12.797 -16.695 1.00 0.22 C ATOM 986 O LEU A 65 -9.538 -13.585 -16.531 1.00 0.26 O ATOM 987 CB LEU A 65 -9.323 -10.791 -17.767 1.00 0.23 C ATOM 988 CG LEU A 65 -10.020 -10.533 -19.115 1.00 0.25 C ATOM 989 CD1 LEU A 65 -10.313 -11.838 -19.829 1.00 1.51 C ATOM 990 CD2 LEU A 65 -11.285 -9.729 -18.895 1.00 1.21 C ATOM 0 H LEU A 65 -8.636 -11.252 -15.258 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.181 -10.770 -16.717 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -8.841 -9.867 -17.448 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.533 -11.525 -17.924 1.00 0.23 H new ATOM 0 HG LEU A 65 -9.352 -9.955 -19.754 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -10.806 -11.630 -20.779 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -9.379 -12.370 -20.013 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -10.965 -12.453 -19.209 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -11.773 -9.550 -19.853 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -11.959 -10.283 -18.242 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -11.034 -8.775 -18.432 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.712 -13.196 -16.938 1.00 0.20 N ATOM 1003 CA HIS A 66 -12.087 -14.604 -16.860 1.00 0.21 C ATOM 1004 C HIS A 66 -12.645 -15.111 -18.190 1.00 0.15 C ATOM 1005 O HIS A 66 -13.200 -14.341 -18.977 1.00 0.15 O ATOM 1006 CB HIS A 66 -13.142 -14.817 -15.765 1.00 0.31 C ATOM 1007 CG HIS A 66 -12.731 -14.352 -14.398 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -11.835 -15.020 -13.590 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -13.127 -13.262 -13.692 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -11.716 -14.329 -12.448 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -12.480 -13.254 -12.460 1.00 0.91 N ATOM 0 H HIS A 66 -12.475 -12.568 -17.190 1.00 0.20 H new ATOM 0 HA HIS A 66 -11.184 -15.166 -16.621 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -14.055 -14.295 -16.052 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -13.385 -15.878 -15.715 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -13.833 -12.519 -14.033 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -11.078 -14.615 -11.625 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -12.577 -12.560 -11.719 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.487 -16.418 -18.462 1.00 0.15 N ATOM 1020 CA PRO A 67 -13.084 -17.060 -19.634 1.00 0.14 C ATOM 1021 C PRO A 67 -14.606 -17.117 -19.537 1.00 0.15 C ATOM 1022 O PRO A 67 -15.158 -17.411 -18.477 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.489 -18.471 -19.614 1.00 0.19 C ATOM 1024 CG PRO A 67 -12.120 -18.707 -18.192 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.701 -17.369 -17.653 1.00 0.19 C ATOM 0 HA PRO A 67 -12.873 -16.515 -20.554 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -13.210 -19.210 -19.963 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.618 -18.543 -20.266 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -12.963 -19.109 -17.630 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.310 -19.432 -18.113 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.925 -17.275 -16.590 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.629 -17.206 -17.768 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.277 -16.825 -20.642 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.726 -16.860 -20.662 1.00 0.18 C ATOM 1035 C GLY A 68 -17.345 -15.505 -20.394 1.00 0.18 C ATOM 1036 O GLY A 68 -18.555 -15.332 -20.542 1.00 0.22 O ATOM 0 H GLY A 68 -14.843 -16.564 -21.527 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -17.064 -17.224 -21.632 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -17.079 -17.571 -19.915 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.523 -14.540 -20.003 1.00 0.18 N ATOM 1041 CA ASP A 69 -17.011 -13.191 -19.757 1.00 0.20 C ATOM 1042 C ASP A 69 -16.809 -12.347 -21.001 1.00 0.13 C ATOM 1043 O ASP A 69 -15.987 -12.686 -21.862 1.00 0.12 O ATOM 1044 CB ASP A 69 -16.280 -12.542 -18.578 1.00 0.27 C ATOM 1045 CG ASP A 69 -17.123 -11.500 -17.856 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -18.079 -10.960 -18.459 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -16.823 -11.197 -16.681 1.00 1.09 O ATOM 0 H ASP A 69 -15.522 -14.665 -19.850 1.00 0.18 H new ATOM 0 HA ASP A 69 -18.071 -13.251 -19.511 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -15.985 -13.316 -17.870 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -15.364 -12.074 -18.939 1.00 0.27 H new ATOM 1052 N THR A 70 -17.546 -11.259 -21.101 1.00 0.13 N ATOM 1053 CA THR A 70 -17.421 -10.367 -22.230 1.00 0.11 C ATOM 1054 C THR A 70 -16.213 -9.465 -22.024 1.00 0.10 C ATOM 1055 O THR A 70 -15.982 -8.959 -20.924 1.00 0.14 O ATOM 1056 CB THR A 70 -18.681 -9.502 -22.409 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.858 -10.298 -22.198 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.724 -8.905 -23.806 1.00 0.15 C ATOM 0 H THR A 70 -18.239 -10.973 -20.410 1.00 0.13 H new ATOM 0 HA THR A 70 -17.296 -10.970 -23.129 1.00 0.11 H new ATOM 0 HB THR A 70 -18.649 -8.695 -21.677 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.655 -9.740 -22.312 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.622 -8.297 -23.914 1.00 0.15 H new ATOM 0 HG22 THR A 70 -17.843 -8.283 -23.963 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.738 -9.707 -24.544 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.431 -9.288 -23.067 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.237 -8.466 -23.000 1.00 0.12 C ATOM 1068 C VAL A 71 -14.155 -7.576 -24.222 1.00 0.12 C ATOM 1069 O VAL A 71 -14.825 -7.812 -25.233 1.00 0.16 O ATOM 1070 CB VAL A 71 -12.965 -9.322 -22.897 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -13.096 -10.306 -21.750 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.684 -10.037 -24.203 1.00 0.24 C ATOM 0 H VAL A 71 -15.601 -9.706 -23.982 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.305 -7.854 -22.101 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.118 -8.667 -22.696 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -12.191 -10.909 -21.683 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -13.238 -9.761 -20.817 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.953 -10.956 -21.925 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.779 -10.636 -24.103 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.523 -10.687 -24.450 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.548 -9.303 -24.997 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.359 -6.546 -24.114 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.139 -5.642 -25.211 1.00 0.14 C ATOM 1084 C GLU A 72 -11.691 -5.747 -25.645 1.00 0.14 C ATOM 1085 O GLU A 72 -10.823 -6.049 -24.831 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.526 -4.223 -24.794 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.479 -3.176 -25.075 1.00 0.33 C ATOM 1088 CD GLU A 72 -13.057 -1.782 -25.044 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -12.272 -0.812 -24.906 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -14.292 -1.639 -25.098 1.00 0.78 O ATOM 0 H GLU A 72 -12.846 -6.310 -23.265 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.765 -5.904 -26.064 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.445 -3.945 -25.310 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -13.746 -4.220 -23.726 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -11.680 -3.254 -24.338 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -12.032 -3.362 -26.051 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.437 -5.530 -26.924 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.118 -5.763 -27.474 1.00 0.08 C ATOM 1099 C PHE A 73 -9.970 -5.068 -28.808 1.00 0.07 C ATOM 1100 O PHE A 73 -10.904 -4.451 -29.305 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.852 -7.267 -27.629 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.869 -7.992 -28.467 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.637 -8.239 -29.810 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -12.053 -8.440 -27.904 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.568 -8.913 -30.572 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -12.985 -9.114 -28.662 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.744 -9.353 -29.998 1.00 0.10 C ATOM 0 H PHE A 73 -12.126 -5.194 -27.597 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.384 -5.351 -26.781 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.867 -7.406 -28.074 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.822 -7.723 -26.639 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.718 -7.900 -30.265 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.248 -8.258 -26.857 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.377 -9.097 -31.619 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.904 -9.455 -28.210 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.473 -9.883 -30.594 1.00 0.10 H new ATOM 1117 N SER A 74 -8.802 -5.184 -29.393 1.00 0.09 N ATOM 1118 CA SER A 74 -8.532 -4.544 -30.656 1.00 0.10 C ATOM 1119 C SER A 74 -7.965 -5.569 -31.618 1.00 0.12 C ATOM 1120 O SER A 74 -7.061 -6.324 -31.262 1.00 0.19 O ATOM 1121 CB SER A 74 -7.556 -3.381 -30.451 1.00 0.15 C ATOM 1122 OG SER A 74 -8.082 -2.438 -29.533 1.00 0.86 O ATOM 0 H SER A 74 -8.021 -5.718 -29.012 1.00 0.09 H new ATOM 0 HA SER A 74 -9.453 -4.140 -31.076 1.00 0.10 H new ATOM 0 HB2 SER A 74 -6.603 -3.761 -30.083 1.00 0.15 H new ATOM 0 HB3 SER A 74 -7.358 -2.894 -31.406 1.00 0.15 H new ATOM 0 HG SER A 74 -7.926 -2.751 -28.617 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.509 -5.610 -32.819 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.132 -6.631 -33.776 1.00 0.19 C ATOM 1130 C VAL A 75 -7.116 -6.090 -34.784 1.00 0.20 C ATOM 1131 O VAL A 75 -7.458 -5.396 -35.740 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.380 -7.225 -34.483 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -10.214 -6.142 -35.152 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -8.981 -8.296 -35.485 1.00 0.36 C ATOM 0 H VAL A 75 -9.211 -4.950 -33.154 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.651 -7.443 -33.230 1.00 0.19 H new ATOM 0 HB VAL A 75 -9.999 -7.690 -33.715 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -11.079 -6.596 -35.636 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.552 -5.427 -34.402 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.610 -5.626 -35.898 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.874 -8.695 -35.966 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.326 -7.862 -36.240 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.457 -9.100 -34.969 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.851 -6.389 -34.536 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.786 -6.007 -35.445 1.00 0.26 C ATOM 1146 C VAL A 76 -4.217 -7.244 -36.131 1.00 0.25 C ATOM 1147 O VAL A 76 -3.744 -8.169 -35.473 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.668 -5.222 -34.715 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -3.156 -5.977 -33.496 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.524 -4.906 -35.664 1.00 0.42 C ATOM 0 H VAL A 76 -5.537 -6.897 -33.709 1.00 0.19 H new ATOM 0 HA VAL A 76 -5.208 -5.344 -36.201 1.00 0.26 H new ATOM 0 HB VAL A 76 -4.101 -4.284 -34.367 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.373 -5.395 -33.010 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -3.976 -6.137 -32.796 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.752 -6.940 -33.808 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.750 -4.354 -35.130 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -2.106 -5.835 -36.052 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -2.895 -4.302 -36.492 1.00 0.42 H new ATOM 1160 N THR A 77 -4.323 -7.280 -37.452 1.00 0.34 N ATOM 1161 CA THR A 77 -3.822 -8.404 -38.225 1.00 0.38 C ATOM 1162 C THR A 77 -2.301 -8.385 -38.282 1.00 0.44 C ATOM 1163 O THR A 77 -1.698 -7.376 -38.658 1.00 0.56 O ATOM 1164 CB THR A 77 -4.382 -8.383 -39.660 1.00 0.57 C ATOM 1165 OG1 THR A 77 -5.808 -8.259 -39.625 1.00 0.67 O ATOM 1166 CG2 THR A 77 -4.001 -9.650 -40.418 1.00 0.62 C ATOM 0 H THR A 77 -4.752 -6.542 -38.010 1.00 0.34 H new ATOM 0 HA THR A 77 -4.154 -9.315 -37.727 1.00 0.38 H new ATOM 0 HB THR A 77 -3.950 -7.527 -40.178 1.00 0.57 H new ATOM 0 HG1 THR A 77 -6.166 -8.809 -38.897 1.00 0.67 H new ATOM 0 HG21 THR A 77 -4.410 -9.607 -41.427 1.00 0.62 H new ATOM 0 HG22 THR A 77 -2.915 -9.731 -40.469 1.00 0.62 H new ATOM 0 HG23 THR A 77 -4.405 -10.520 -39.900 1.00 0.62 H new ATOM 1174 N ASN A 78 -1.686 -9.496 -37.895 1.00 0.44 N ATOM 1175 CA ASN A 78 -0.243 -9.629 -37.980 1.00 0.57 C ATOM 1176 C ASN A 78 0.187 -9.693 -39.436 1.00 0.66 C ATOM 1177 O ASN A 78 -0.149 -10.637 -40.146 1.00 0.70 O ATOM 1178 CB ASN A 78 0.238 -10.869 -37.221 1.00 0.64 C ATOM 1179 CG ASN A 78 0.386 -10.606 -35.736 1.00 1.10 C ATOM 1180 OD1 ASN A 78 1.440 -10.159 -35.284 1.00 1.82 O ATOM 1181 ND2 ASN A 78 -0.657 -10.884 -34.968 1.00 1.54 N ATOM 0 H ASN A 78 -2.166 -10.314 -37.520 1.00 0.44 H new ATOM 0 HA ASN A 78 0.213 -8.755 -37.516 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.468 -11.685 -37.376 1.00 0.64 H new ATOM 0 HB3 ASN A 78 1.195 -11.194 -37.628 1.00 0.64 H new ATOM 0 HD21 ASN A 78 -0.605 -10.729 -33.961 1.00 1.54 H new ATOM 0 HD22 ASN A 78 -1.512 -11.253 -35.383 1.00 1.54 H new ATOM 1188 N GLN A 79 0.932 -8.689 -39.869 1.00 0.79 N ATOM 1189 CA GLN A 79 1.306 -8.546 -41.274 1.00 0.91 C ATOM 1190 C GLN A 79 2.118 -9.740 -41.778 1.00 0.94 C ATOM 1191 O GLN A 79 2.049 -10.095 -42.950 1.00 1.06 O ATOM 1192 CB GLN A 79 2.097 -7.252 -41.479 1.00 1.09 C ATOM 1193 CG GLN A 79 3.322 -7.139 -40.585 1.00 1.18 C ATOM 1194 CD GLN A 79 4.176 -5.935 -40.921 1.00 1.43 C ATOM 1195 OE1 GLN A 79 4.229 -5.498 -42.067 1.00 1.95 O ATOM 1196 NE2 GLN A 79 4.867 -5.403 -39.929 1.00 1.90 N ATOM 0 H GLN A 79 1.295 -7.952 -39.264 1.00 0.79 H new ATOM 0 HA GLN A 79 0.384 -8.507 -41.854 1.00 0.91 H new ATOM 0 HB2 GLN A 79 2.411 -7.189 -42.521 1.00 1.09 H new ATOM 0 HB3 GLN A 79 1.441 -6.402 -41.292 1.00 1.09 H new ATOM 0 HG2 GLN A 79 3.004 -7.076 -39.544 1.00 1.18 H new ATOM 0 HG3 GLN A 79 3.922 -8.044 -40.680 1.00 1.18 H new ATOM 0 HE21 GLN A 79 4.796 -5.795 -38.990 1.00 1.90 H new ATOM 0 HE22 GLN A 79 5.472 -4.600 -40.102 1.00 1.90 H new ATOM 1205 N ARG A 80 2.882 -10.350 -40.888 1.00 0.93 N ATOM 1206 CA ARG A 80 3.755 -11.449 -41.269 1.00 1.03 C ATOM 1207 C ARG A 80 3.093 -12.803 -41.029 1.00 1.02 C ATOM 1208 O ARG A 80 3.337 -13.766 -41.758 1.00 1.21 O ATOM 1209 CB ARG A 80 5.052 -11.378 -40.468 1.00 1.18 C ATOM 1210 CG ARG A 80 6.151 -12.293 -40.988 1.00 1.35 C ATOM 1211 CD ARG A 80 6.902 -11.680 -42.163 1.00 1.67 C ATOM 1212 NE ARG A 80 6.027 -11.329 -43.286 1.00 2.41 N ATOM 1213 CZ ARG A 80 5.889 -12.069 -44.386 1.00 3.02 C ATOM 1214 NH1 ARG A 80 6.543 -13.221 -44.503 1.00 3.01 N ATOM 1215 NH2 ARG A 80 5.097 -11.654 -45.367 1.00 3.99 N ATOM 0 H ARG A 80 2.916 -10.104 -39.899 1.00 0.93 H new ATOM 0 HA ARG A 80 3.963 -11.353 -42.335 1.00 1.03 H new ATOM 0 HB2 ARG A 80 5.415 -10.350 -40.475 1.00 1.18 H new ATOM 0 HB3 ARG A 80 4.841 -11.635 -39.430 1.00 1.18 H new ATOM 0 HG2 ARG A 80 6.853 -12.509 -40.183 1.00 1.35 H new ATOM 0 HG3 ARG A 80 5.715 -13.244 -41.294 1.00 1.35 H new ATOM 0 HD2 ARG A 80 7.425 -10.786 -41.825 1.00 1.67 H new ATOM 0 HD3 ARG A 80 7.661 -12.382 -42.507 1.00 1.67 H new ATOM 0 HE ARG A 80 5.490 -10.464 -43.221 1.00 2.41 H new ATOM 0 HH11 ARG A 80 7.152 -13.540 -43.750 1.00 3.01 H new ATOM 0 HH12 ARG A 80 6.435 -13.785 -45.346 1.00 3.01 H new ATOM 0 HH21 ARG A 80 4.595 -10.770 -45.278 1.00 3.99 H new ATOM 0 HH22 ARG A 80 4.990 -12.219 -46.210 1.00 3.99 H new ATOM 1229 N ASN A 81 2.252 -12.865 -40.007 1.00 0.91 N ATOM 1230 CA ASN A 81 1.686 -14.131 -39.552 1.00 1.01 C ATOM 1231 C ASN A 81 0.307 -14.353 -40.172 1.00 0.87 C ATOM 1232 O ASN A 81 -0.141 -15.484 -40.343 1.00 1.04 O ATOM 1233 CB ASN A 81 1.617 -14.129 -38.018 1.00 1.16 C ATOM 1234 CG ASN A 81 1.487 -15.512 -37.404 1.00 1.53 C ATOM 1235 OD1 ASN A 81 0.737 -16.362 -37.877 1.00 1.95 O ATOM 1236 ND2 ASN A 81 2.238 -15.746 -36.340 1.00 2.21 N ATOM 0 H ASN A 81 1.944 -12.052 -39.474 1.00 0.91 H new ATOM 0 HA ASN A 81 2.323 -14.955 -39.873 1.00 1.01 H new ATOM 0 HB2 ASN A 81 2.514 -13.651 -37.625 1.00 1.16 H new ATOM 0 HB3 ASN A 81 0.768 -13.522 -37.703 1.00 1.16 H new ATOM 0 HD21 ASN A 81 2.206 -16.658 -35.884 1.00 2.21 H new ATOM 0 HD22 ASN A 81 2.849 -15.015 -35.976 1.00 2.21 H new ATOM 1243 N GLY A 82 -0.361 -13.260 -40.514 1.00 0.68 N ATOM 1244 CA GLY A 82 -1.649 -13.343 -41.184 1.00 0.69 C ATOM 1245 C GLY A 82 -2.826 -13.343 -40.229 1.00 0.52 C ATOM 1246 O GLY A 82 -3.932 -12.960 -40.607 1.00 0.58 O ATOM 0 H GLY A 82 -0.033 -12.310 -40.339 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -1.748 -12.502 -41.871 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -1.679 -14.251 -41.786 1.00 0.69 H new ATOM 1250 N LYS A 83 -2.605 -13.770 -38.996 1.00 0.45 N ATOM 1251 CA LYS A 83 -3.673 -13.780 -38.008 1.00 0.39 C ATOM 1252 C LYS A 83 -3.585 -12.566 -37.109 1.00 0.35 C ATOM 1253 O LYS A 83 -2.508 -12.016 -36.893 1.00 0.49 O ATOM 1254 CB LYS A 83 -3.658 -15.062 -37.167 1.00 0.53 C ATOM 1255 CG LYS A 83 -2.340 -15.362 -36.465 1.00 0.64 C ATOM 1256 CD LYS A 83 -2.522 -16.439 -35.399 1.00 1.01 C ATOM 1257 CE LYS A 83 -1.219 -16.768 -34.687 1.00 1.61 C ATOM 1258 NZ LYS A 83 -0.286 -17.549 -35.542 1.00 2.42 N ATOM 0 H LYS A 83 -1.705 -14.111 -38.657 1.00 0.45 H new ATOM 0 HA LYS A 83 -4.616 -13.748 -38.553 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -4.444 -14.993 -36.415 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -3.907 -15.904 -37.813 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.601 -15.690 -37.196 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -1.953 -14.452 -36.006 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -3.259 -16.104 -34.669 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -2.919 -17.342 -35.862 1.00 1.01 H new ATOM 0 HE2 LYS A 83 -0.734 -15.842 -34.377 1.00 1.61 H new ATOM 0 HE3 LYS A 83 -1.436 -17.333 -33.781 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 0.649 -17.589 -35.089 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 -0.653 -18.515 -35.664 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 -0.201 -17.091 -36.472 1.00 2.42 H new ATOM 1272 N SER A 84 -4.721 -12.149 -36.596 1.00 0.31 N ATOM 1273 CA SER A 84 -4.786 -10.989 -35.736 1.00 0.25 C ATOM 1274 C SER A 84 -4.540 -11.371 -34.280 1.00 0.24 C ATOM 1275 O SER A 84 -4.337 -12.544 -33.961 1.00 0.30 O ATOM 1276 CB SER A 84 -6.148 -10.323 -35.893 1.00 0.27 C ATOM 1277 OG SER A 84 -6.414 -10.034 -37.256 1.00 1.08 O ATOM 0 H SER A 84 -5.620 -12.601 -36.762 1.00 0.31 H new ATOM 0 HA SER A 84 -4.004 -10.288 -36.028 1.00 0.25 H new ATOM 0 HB2 SER A 84 -6.925 -10.977 -35.497 1.00 0.27 H new ATOM 0 HB3 SER A 84 -6.177 -9.403 -35.309 1.00 0.27 H new ATOM 0 HG SER A 84 -7.293 -9.608 -37.335 1.00 1.08 H new ATOM 1283 N SER A 85 -4.567 -10.376 -33.406 1.00 0.20 N ATOM 1284 CA SER A 85 -4.345 -10.588 -31.986 1.00 0.20 C ATOM 1285 C SER A 85 -5.049 -9.499 -31.186 1.00 0.18 C ATOM 1286 O SER A 85 -5.044 -8.335 -31.585 1.00 0.26 O ATOM 1287 CB SER A 85 -2.842 -10.596 -31.683 1.00 0.25 C ATOM 1288 OG SER A 85 -2.194 -9.477 -32.269 1.00 0.87 O ATOM 0 H SER A 85 -4.743 -9.404 -33.661 1.00 0.20 H new ATOM 0 HA SER A 85 -4.758 -11.555 -31.698 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.686 -10.586 -30.604 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.397 -11.516 -32.061 1.00 0.25 H new ATOM 0 HG SER A 85 -1.237 -9.506 -32.059 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.668 -9.880 -30.077 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.390 -8.943 -29.244 1.00 0.12 C ATOM 1296 C ALA A 86 -5.433 -8.059 -28.457 1.00 0.13 C ATOM 1297 O ALA A 86 -4.628 -8.541 -27.664 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.330 -9.686 -28.305 1.00 0.13 C ATOM 0 H ALA A 86 -5.681 -10.841 -29.736 1.00 0.14 H new ATOM 0 HA ALA A 86 -6.983 -8.298 -29.893 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -7.867 -8.968 -27.684 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -8.044 -10.266 -28.889 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.753 -10.356 -27.668 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.523 -6.766 -28.692 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.740 -5.799 -27.948 1.00 0.17 C ATOM 1306 C CYS A 87 -5.671 -4.894 -27.169 1.00 0.17 C ATOM 1307 O CYS A 87 -6.758 -4.580 -27.640 1.00 0.21 O ATOM 1308 CB CYS A 87 -3.875 -4.975 -28.905 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.532 -5.913 -29.668 1.00 0.68 S ATOM 0 H CYS A 87 -6.135 -6.358 -29.398 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.083 -6.322 -27.253 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -4.509 -4.563 -29.690 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -3.452 -4.130 -28.361 1.00 0.22 H new ATOM 0 HG CYS A 87 -1.857 -5.136 -30.462 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.247 -4.506 -25.972 1.00 0.17 N ATOM 1316 CA ASN A 88 -6.065 -3.677 -25.085 1.00 0.20 C ATOM 1317 C ASN A 88 -7.342 -4.430 -24.707 1.00 0.18 C ATOM 1318 O ASN A 88 -8.434 -4.112 -25.171 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.395 -2.330 -25.755 1.00 0.27 C ATOM 1320 CG ASN A 88 -6.973 -1.302 -24.800 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -6.508 -1.304 -23.558 1.00 1.82 O flip ATOM 1322 ND2 ASN A 88 -7.811 -0.490 -25.183 1.00 1.60 N flip ATOM 0 H ASN A 88 -4.335 -4.753 -25.588 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.503 -3.466 -24.175 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -5.488 -1.926 -26.205 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -7.104 -2.501 -26.565 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -8.146 -0.518 -26.146 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -8.172 0.213 -24.538 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.172 -5.461 -23.892 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.274 -6.312 -23.471 1.00 0.15 C ATOM 1331 C VAL A 89 -8.869 -5.830 -22.151 1.00 0.19 C ATOM 1332 O VAL A 89 -8.225 -5.878 -21.111 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.807 -7.779 -23.332 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -8.918 -8.663 -22.783 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.324 -8.308 -24.668 1.00 0.14 C ATOM 0 H VAL A 89 -6.268 -5.730 -23.505 1.00 0.14 H new ATOM 0 HA VAL A 89 -9.046 -6.257 -24.238 1.00 0.15 H new ATOM 0 HB VAL A 89 -6.979 -7.801 -22.623 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.558 -9.688 -22.697 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.219 -8.301 -21.800 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.773 -8.634 -23.458 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -6.999 -9.342 -24.554 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.137 -8.261 -25.393 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.489 -7.702 -25.019 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.103 -5.359 -22.205 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.777 -4.831 -21.025 1.00 0.16 C ATOM 1347 C LEU A 90 -11.949 -5.715 -20.628 1.00 0.11 C ATOM 1348 O LEU A 90 -12.561 -6.369 -21.470 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.286 -3.405 -21.257 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.252 -2.270 -21.188 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -9.561 -2.233 -19.835 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -9.233 -2.402 -22.301 1.00 1.12 C ATOM 0 H LEU A 90 -10.663 -5.330 -23.057 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.041 -4.817 -20.221 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -11.760 -3.371 -22.238 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -12.063 -3.200 -20.520 1.00 0.26 H new ATOM 0 HG LEU A 90 -10.786 -1.329 -21.318 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -8.836 -1.419 -19.819 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -10.302 -2.074 -19.052 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -9.048 -3.179 -19.662 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -8.511 -1.588 -22.232 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -8.714 -3.356 -22.208 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -9.739 -2.357 -23.265 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.243 -5.744 -19.343 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.387 -6.495 -18.840 1.00 0.18 C ATOM 1366 C LYS A 91 -14.684 -5.767 -19.194 1.00 0.18 C ATOM 1367 O LYS A 91 -14.828 -4.577 -18.921 1.00 0.32 O ATOM 1368 CB LYS A 91 -13.290 -6.656 -17.323 1.00 0.27 C ATOM 1369 CG LYS A 91 -13.483 -8.085 -16.834 1.00 0.45 C ATOM 1370 CD LYS A 91 -14.849 -8.650 -17.211 1.00 0.59 C ATOM 1371 CE LYS A 91 -15.986 -7.933 -16.491 1.00 0.71 C ATOM 1372 NZ LYS A 91 -17.291 -8.605 -16.717 1.00 1.33 N ATOM 0 H LYS A 91 -11.708 -5.257 -18.624 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.387 -7.482 -19.303 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.314 -6.299 -16.993 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -14.039 -6.019 -16.853 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -12.702 -8.719 -17.255 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -13.367 -8.114 -15.751 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -14.991 -8.564 -18.288 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -14.880 -9.712 -16.969 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.775 -7.898 -15.422 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -16.043 -6.901 -16.838 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -18.028 -8.129 -16.158 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -17.536 -8.556 -17.726 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -17.224 -9.601 -16.425 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.622 -6.482 -19.799 1.00 0.16 N ATOM 1387 CA ILE A 92 -16.892 -5.892 -20.202 1.00 0.18 C ATOM 1388 C ILE A 92 -18.059 -6.582 -19.503 1.00 0.27 C ATOM 1389 O ILE A 92 -18.047 -7.797 -19.307 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.082 -5.981 -21.736 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -16.007 -5.172 -22.456 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.468 -5.512 -22.156 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -16.049 -3.693 -22.145 1.00 0.16 C ATOM 0 H ILE A 92 -15.528 -7.473 -20.022 1.00 0.16 H new ATOM 0 HA ILE A 92 -16.873 -4.842 -19.908 1.00 0.18 H new ATOM 0 HB ILE A 92 -16.985 -7.029 -22.020 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -15.027 -5.564 -22.184 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -16.119 -5.312 -23.531 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.565 -5.588 -23.239 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.223 -6.136 -21.679 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.609 -4.475 -21.851 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.256 -3.183 -22.692 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -17.015 -3.286 -22.443 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -15.906 -3.542 -21.075 1.00 0.16 H new