USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 354 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 18 TYR OH : rot 35:sc= 1.34 USER MOD Set 1.2: A 43 TYR OH : rot 30:sc= -0.272 USER MOD Set 1.3: A 47 HIS : no HE2:sc= 0.788 K(o=1.9,f=-4.2!) USER MOD Single : A 1 SER N :NH3+ -110:sc= 0.106 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 168:sc= -2.71 (180deg=-3.24) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.0023) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 92:sc= 0.784 USER MOD Single : A 21 ASN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0066 X(o=-0.0066,f=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -1.17 F(o=-2.2!,f=-1.2) USER MOD Single : A 40 ASN : amide:sc= -0.549 K(o=-0.55,f=-6.2!) USER MOD Single : A 44 THR OG1 : rot 92:sc= 1.29 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= -0.0156 (180deg=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.780 -0.036 -0.886 1.00 0.00 N ATOM 2 CA SER A 1 0.361 -0.897 -1.986 1.00 0.00 C ATOM 3 C SER A 1 0.566 -2.367 -1.632 1.00 0.00 C ATOM 4 O SER A 1 1.290 -2.696 -0.693 1.00 0.00 O ATOM 5 CB SER A 1 1.141 -0.553 -3.256 1.00 0.00 C ATOM 6 OG SER A 1 0.677 0.659 -3.826 1.00 0.00 O ATOM 0 H1 SER A 1 -0.056 0.405 -0.452 1.00 0.00 H new ATOM 0 H2 SER A 1 1.281 -0.603 -0.173 1.00 0.00 H new ATOM 0 H3 SER A 1 1.414 0.705 -1.247 1.00 0.00 H new ATOM 0 HA SER A 1 -0.701 -0.728 -2.164 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.202 -0.466 -3.023 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.039 -1.362 -3.980 1.00 0.00 H new ATOM 0 HG SER A 1 1.192 0.858 -4.635 1.00 0.00 H new ATOM 12 N GLU A 2 -0.079 -3.247 -2.393 1.00 0.00 N ATOM 13 CA GLU A 2 0.031 -4.683 -2.159 1.00 0.00 C ATOM 14 C GLU A 2 0.955 -5.332 -3.186 1.00 0.00 C ATOM 15 O GLU A 2 1.222 -4.781 -4.254 1.00 0.00 O ATOM 16 CB GLU A 2 -1.350 -5.338 -2.214 1.00 0.00 C ATOM 17 CG GLU A 2 -2.077 -5.338 -0.879 1.00 0.00 C ATOM 18 CD GLU A 2 -1.287 -6.029 0.215 1.00 0.00 C ATOM 19 OE1 GLU A 2 -0.464 -5.355 0.869 1.00 0.00 O ATOM 20 OE2 GLU A 2 -1.493 -7.244 0.418 1.00 0.00 O ATOM 0 H GLU A 2 -0.682 -2.991 -3.175 1.00 0.00 H new ATOM 0 HA GLU A 2 0.457 -4.832 -1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.961 -4.817 -2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.242 -6.366 -2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.281 -4.310 -0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.041 -5.834 -0.994 1.00 0.00 H new ATOM 27 N PRO A 3 1.456 -6.531 -2.855 1.00 0.00 N ATOM 28 CA PRO A 3 2.358 -7.282 -3.734 1.00 0.00 C ATOM 29 C PRO A 3 1.648 -7.812 -4.976 1.00 0.00 C ATOM 30 O PRO A 3 0.430 -7.992 -4.977 1.00 0.00 O ATOM 31 CB PRO A 3 2.829 -8.441 -2.852 1.00 0.00 C ATOM 32 CG PRO A 3 1.743 -8.619 -1.848 1.00 0.00 C ATOM 33 CD PRO A 3 1.182 -7.246 -1.598 1.00 0.00 C ATOM 0 HA PRO A 3 3.169 -6.660 -4.113 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.979 -9.348 -3.437 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.779 -8.211 -2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 3 0.973 -9.293 -2.222 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.130 -9.056 -0.928 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.114 -7.282 -1.381 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.664 -6.764 -0.748 1.00 0.00 H new ATOM 41 N ASP A 4 2.417 -8.060 -6.030 1.00 0.00 N ATOM 42 CA ASP A 4 1.861 -8.570 -7.278 1.00 0.00 C ATOM 43 C ASP A 4 2.298 -10.011 -7.519 1.00 0.00 C ATOM 44 O ASP A 4 1.599 -10.779 -8.179 1.00 0.00 O ATOM 45 CB ASP A 4 2.295 -7.689 -8.451 1.00 0.00 C ATOM 46 CG ASP A 4 1.412 -7.873 -9.670 1.00 0.00 C ATOM 47 OD1 ASP A 4 0.563 -8.789 -9.656 1.00 0.00 O ATOM 48 OD2 ASP A 4 1.569 -7.099 -10.638 1.00 0.00 O ATOM 0 H ASP A 4 3.427 -7.916 -6.045 1.00 0.00 H new ATOM 0 HA ASP A 4 0.774 -8.548 -7.199 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.273 -6.643 -8.144 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.327 -7.922 -8.715 1.00 0.00 H new ATOM 53 N GLU A 5 3.459 -10.370 -6.980 1.00 0.00 N ATOM 54 CA GLU A 5 3.990 -11.719 -7.139 1.00 0.00 C ATOM 55 C GLU A 5 3.075 -12.745 -6.477 1.00 0.00 C ATOM 56 O GLU A 5 2.990 -13.892 -6.917 1.00 0.00 O ATOM 57 CB GLU A 5 5.395 -11.812 -6.541 1.00 0.00 C ATOM 58 CG GLU A 5 6.476 -11.219 -7.431 1.00 0.00 C ATOM 59 CD GLU A 5 6.614 -9.719 -7.259 1.00 0.00 C ATOM 60 OE1 GLU A 5 6.303 -9.217 -6.158 1.00 0.00 O ATOM 61 OE2 GLU A 5 7.032 -9.047 -8.225 1.00 0.00 O ATOM 0 H GLU A 5 4.049 -9.746 -6.430 1.00 0.00 H new ATOM 0 HA GLU A 5 4.042 -11.938 -8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.406 -11.299 -5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.630 -12.859 -6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.430 -11.696 -7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.247 -11.442 -8.473 1.00 0.00 H new ATOM 68 N ILE A 6 2.393 -12.324 -5.417 1.00 0.00 N ATOM 69 CA ILE A 6 1.484 -13.205 -4.695 1.00 0.00 C ATOM 70 C ILE A 6 0.288 -13.589 -5.560 1.00 0.00 C ATOM 71 O ILE A 6 -0.138 -14.744 -5.571 1.00 0.00 O ATOM 72 CB ILE A 6 0.975 -12.548 -3.398 1.00 0.00 C ATOM 73 CG1 ILE A 6 2.153 -12.079 -2.542 1.00 0.00 C ATOM 74 CG2 ILE A 6 0.102 -13.521 -2.619 1.00 0.00 C ATOM 75 CD1 ILE A 6 3.033 -13.209 -2.053 1.00 0.00 C ATOM 0 H ILE A 6 2.453 -11.378 -5.039 1.00 0.00 H new ATOM 0 HA ILE A 6 2.049 -14.102 -4.441 1.00 0.00 H new ATOM 0 HB ILE A 6 0.372 -11.679 -3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.759 -11.383 -3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.771 -11.529 -1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.250 -13.042 -1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.753 -13.811 -3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.683 -14.407 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.847 -12.803 -1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.442 -13.894 -1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.445 -13.745 -2.908 1.00 0.00 H new ATOM 87 N CYS A 7 -0.249 -12.613 -6.285 1.00 0.00 N ATOM 88 CA CYS A 7 -1.395 -12.848 -7.155 1.00 0.00 C ATOM 89 C CYS A 7 -1.029 -13.793 -8.295 1.00 0.00 C ATOM 90 O CYS A 7 -1.789 -14.701 -8.631 1.00 0.00 O ATOM 91 CB CYS A 7 -1.912 -11.524 -7.721 1.00 0.00 C ATOM 92 SG CYS A 7 -2.471 -10.341 -6.453 1.00 0.00 S ATOM 0 H CYS A 7 0.092 -11.652 -6.287 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.181 -13.313 -6.560 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.122 -11.061 -8.312 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.739 -11.730 -8.400 1.00 0.00 H new ATOM 97 N ARG A 8 0.141 -13.572 -8.886 1.00 0.00 N ATOM 98 CA ARG A 8 0.609 -14.403 -9.989 1.00 0.00 C ATOM 99 C ARG A 8 1.015 -15.787 -9.493 1.00 0.00 C ATOM 100 O ARG A 8 0.859 -16.782 -10.201 1.00 0.00 O ATOM 101 CB ARG A 8 1.791 -13.734 -10.694 1.00 0.00 C ATOM 102 CG ARG A 8 1.381 -12.651 -11.677 1.00 0.00 C ATOM 103 CD ARG A 8 2.553 -11.752 -12.037 1.00 0.00 C ATOM 104 NE ARG A 8 3.702 -12.517 -12.515 1.00 0.00 N ATOM 105 CZ ARG A 8 4.832 -11.960 -12.936 1.00 0.00 C ATOM 106 NH1 ARG A 8 4.965 -10.641 -12.937 1.00 0.00 N ATOM 107 NH2 ARG A 8 5.833 -12.724 -13.356 1.00 0.00 N ATOM 0 H ARG A 8 0.782 -12.825 -8.619 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.211 -14.517 -10.698 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.452 -13.300 -9.944 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.365 -14.495 -11.223 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.983 -13.111 -12.581 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.580 -12.051 -11.245 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.244 -11.044 -12.806 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.844 -11.168 -11.164 1.00 0.00 H new ATOM 0 HE ARG A 8 3.633 -13.535 -12.526 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.198 -10.051 -12.614 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.834 -10.216 -13.261 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.735 -13.739 -13.356 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.701 -12.296 -13.679 1.00 0.00 H new ATOM 121 N ALA A 9 1.538 -15.843 -8.272 1.00 0.00 N ATOM 122 CA ALA A 9 1.964 -17.105 -7.681 1.00 0.00 C ATOM 123 C ALA A 9 0.765 -17.940 -7.245 1.00 0.00 C ATOM 124 O ALA A 9 0.822 -19.169 -7.236 1.00 0.00 O ATOM 125 CB ALA A 9 2.889 -16.849 -6.500 1.00 0.00 C ATOM 0 H ALA A 9 1.677 -15.029 -7.673 1.00 0.00 H new ATOM 0 HA ALA A 9 2.508 -17.667 -8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.199 -17.800 -6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.768 -16.300 -6.838 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.363 -16.263 -5.746 1.00 0.00 H new ATOM 131 N ARG A 10 -0.321 -17.263 -6.883 1.00 0.00 N ATOM 132 CA ARG A 10 -1.533 -17.943 -6.442 1.00 0.00 C ATOM 133 C ARG A 10 -2.251 -18.593 -7.621 1.00 0.00 C ATOM 134 O ARG A 10 -2.907 -19.623 -7.470 1.00 0.00 O ATOM 135 CB ARG A 10 -2.470 -16.958 -5.741 1.00 0.00 C ATOM 136 CG ARG A 10 -3.838 -17.538 -5.425 1.00 0.00 C ATOM 137 CD ARG A 10 -4.646 -16.608 -4.534 1.00 0.00 C ATOM 138 NE ARG A 10 -5.127 -15.435 -5.260 1.00 0.00 N ATOM 139 CZ ARG A 10 -6.100 -14.646 -4.819 1.00 0.00 C ATOM 140 NH1 ARG A 10 -6.693 -14.902 -3.661 1.00 0.00 N ATOM 141 NH2 ARG A 10 -6.482 -13.597 -5.537 1.00 0.00 N ATOM 0 H ARG A 10 -0.386 -16.245 -6.887 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.246 -18.724 -5.738 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.004 -16.623 -4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.595 -16.077 -6.371 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.381 -17.717 -6.353 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.720 -18.503 -4.933 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.495 -17.151 -4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.031 -16.287 -3.693 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.692 -15.210 -6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.402 -15.707 -3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.440 -14.294 -3.325 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.028 -13.396 -6.428 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.229 -12.992 -5.198 1.00 0.00 H new ATOM 155 N MET A 11 -2.122 -17.983 -8.795 1.00 0.00 N ATOM 156 CA MET A 11 -2.756 -18.504 -10.000 1.00 0.00 C ATOM 157 C MET A 11 -1.750 -19.260 -10.862 1.00 0.00 C ATOM 158 O MET A 11 -0.542 -19.187 -10.633 1.00 0.00 O ATOM 159 CB MET A 11 -3.380 -17.363 -10.807 1.00 0.00 C ATOM 160 CG MET A 11 -2.358 -16.505 -11.537 1.00 0.00 C ATOM 161 SD MET A 11 -2.879 -14.786 -11.691 1.00 0.00 S ATOM 162 CE MET A 11 -4.471 -14.984 -12.489 1.00 0.00 C ATOM 0 H MET A 11 -1.584 -17.128 -8.937 1.00 0.00 H new ATOM 0 HA MET A 11 -3.540 -19.197 -9.696 1.00 0.00 H new ATOM 0 HB2 MET A 11 -4.076 -17.781 -11.534 1.00 0.00 H new ATOM 0 HB3 MET A 11 -3.961 -16.730 -10.136 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.408 -16.546 -11.005 1.00 0.00 H new ATOM 0 HG3 MET A 11 -2.185 -16.919 -12.530 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.012 -14.038 -12.461 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.323 -15.287 -13.526 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.047 -15.748 -11.967 1.00 0.00 H new ATOM 172 N THR A 12 -2.255 -19.987 -11.853 1.00 0.00 N ATOM 173 CA THR A 12 -1.400 -20.758 -12.748 1.00 0.00 C ATOM 174 C THR A 12 -1.002 -19.938 -13.970 1.00 0.00 C ATOM 175 O THR A 12 -1.623 -18.920 -14.276 1.00 0.00 O ATOM 176 CB THR A 12 -2.096 -22.050 -13.216 1.00 0.00 C ATOM 177 OG1 THR A 12 -3.321 -21.731 -13.885 1.00 0.00 O ATOM 178 CG2 THR A 12 -2.381 -22.968 -12.037 1.00 0.00 C ATOM 0 H THR A 12 -3.252 -20.058 -12.057 1.00 0.00 H new ATOM 0 HA THR A 12 -0.506 -21.020 -12.182 1.00 0.00 H new ATOM 0 HB THR A 12 -1.429 -22.567 -13.906 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.757 -22.557 -14.181 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.873 -23.874 -12.392 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.444 -23.232 -11.547 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.031 -22.457 -11.327 1.00 0.00 H new ATOM 186 N HIS A 13 0.038 -20.388 -14.665 1.00 0.00 N ATOM 187 CA HIS A 13 0.519 -19.695 -15.855 1.00 0.00 C ATOM 188 C HIS A 13 -0.619 -19.455 -16.842 1.00 0.00 C ATOM 189 O HIS A 13 -0.759 -18.363 -17.393 1.00 0.00 O ATOM 190 CB HIS A 13 1.631 -20.502 -16.526 1.00 0.00 C ATOM 191 CG HIS A 13 2.952 -20.399 -15.828 1.00 0.00 C ATOM 192 ND1 HIS A 13 4.064 -19.823 -16.404 1.00 0.00 N ATOM 193 CD2 HIS A 13 3.334 -20.801 -14.593 1.00 0.00 C ATOM 194 CE1 HIS A 13 5.075 -19.877 -15.554 1.00 0.00 C ATOM 195 NE2 HIS A 13 4.657 -20.465 -14.448 1.00 0.00 N ATOM 0 H HIS A 13 0.563 -21.229 -14.425 1.00 0.00 H new ATOM 0 HA HIS A 13 0.917 -18.729 -15.546 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.333 -21.550 -16.569 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.746 -20.161 -17.555 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.714 -21.294 -13.859 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.072 -19.504 -15.733 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.225 -20.641 -13.620 1.00 0.00 H new ATOM 203 N LYS A 14 -1.431 -20.484 -17.061 1.00 0.00 N ATOM 204 CA LYS A 14 -2.558 -20.387 -17.981 1.00 0.00 C ATOM 205 C LYS A 14 -3.553 -19.329 -17.513 1.00 0.00 C ATOM 206 O LYS A 14 -4.137 -18.612 -18.325 1.00 0.00 O ATOM 207 CB LYS A 14 -3.260 -21.741 -18.106 1.00 0.00 C ATOM 208 CG LYS A 14 -4.427 -21.735 -19.078 1.00 0.00 C ATOM 209 CD LYS A 14 -4.952 -23.138 -19.329 1.00 0.00 C ATOM 210 CE LYS A 14 -4.002 -23.940 -20.206 1.00 0.00 C ATOM 211 NZ LYS A 14 -4.714 -25.004 -20.966 1.00 0.00 N ATOM 0 H LYS A 14 -1.329 -21.395 -16.614 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.173 -20.093 -18.957 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.535 -22.488 -18.427 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.619 -22.047 -17.123 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.228 -21.111 -18.682 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.113 -21.289 -20.022 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.091 -23.651 -18.377 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.930 -23.082 -19.807 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.499 -23.270 -20.903 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.229 -24.393 -19.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.032 -25.528 -21.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.173 -25.658 -20.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.435 -24.570 -21.578 1.00 0.00 H new ATOM 225 N GLU A 15 -3.738 -19.237 -16.200 1.00 0.00 N ATOM 226 CA GLU A 15 -4.661 -18.265 -15.626 1.00 0.00 C ATOM 227 C GLU A 15 -4.235 -16.841 -15.970 1.00 0.00 C ATOM 228 O GLU A 15 -5.040 -16.036 -16.441 1.00 0.00 O ATOM 229 CB GLU A 15 -4.735 -18.434 -14.107 1.00 0.00 C ATOM 230 CG GLU A 15 -5.951 -17.774 -13.479 1.00 0.00 C ATOM 231 CD GLU A 15 -7.252 -18.434 -13.892 1.00 0.00 C ATOM 232 OE1 GLU A 15 -7.228 -19.642 -14.211 1.00 0.00 O ATOM 233 OE2 GLU A 15 -8.293 -17.745 -13.897 1.00 0.00 O ATOM 0 H GLU A 15 -3.262 -19.823 -15.514 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.648 -18.444 -16.053 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.746 -19.498 -13.868 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.833 -18.016 -13.659 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.859 -17.809 -12.393 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.976 -16.722 -13.763 1.00 0.00 H new ATOM 240 N PHE A 16 -2.964 -16.536 -15.732 1.00 0.00 N ATOM 241 CA PHE A 16 -2.430 -15.209 -16.015 1.00 0.00 C ATOM 242 C PHE A 16 -2.650 -14.835 -17.478 1.00 0.00 C ATOM 243 O PHE A 16 -2.889 -13.672 -17.803 1.00 0.00 O ATOM 244 CB PHE A 16 -0.937 -15.155 -15.682 1.00 0.00 C ATOM 245 CG PHE A 16 -0.294 -13.841 -16.023 1.00 0.00 C ATOM 246 CD1 PHE A 16 -0.310 -12.792 -15.119 1.00 0.00 C ATOM 247 CD2 PHE A 16 0.326 -13.656 -17.248 1.00 0.00 C ATOM 248 CE1 PHE A 16 0.281 -11.581 -15.430 1.00 0.00 C ATOM 249 CE2 PHE A 16 0.919 -12.448 -17.564 1.00 0.00 C ATOM 250 CZ PHE A 16 0.896 -11.409 -16.654 1.00 0.00 C ATOM 0 H PHE A 16 -2.284 -17.190 -15.344 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.961 -14.490 -15.391 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.803 -15.351 -14.618 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.424 -15.952 -16.220 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.790 -12.921 -14.160 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.346 -14.464 -17.964 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.261 -10.771 -14.716 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.400 -12.317 -18.522 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.358 -10.464 -16.899 1.00 0.00 H new ATOM 260 N ASN A 17 -2.567 -15.829 -18.356 1.00 0.00 N ATOM 261 CA ASN A 17 -2.757 -15.605 -19.784 1.00 0.00 C ATOM 262 C ASN A 17 -4.219 -15.307 -20.099 1.00 0.00 C ATOM 263 O ASN A 17 -4.525 -14.424 -20.901 1.00 0.00 O ATOM 264 CB ASN A 17 -2.291 -16.827 -20.579 1.00 0.00 C ATOM 265 CG ASN A 17 -2.133 -16.528 -22.058 1.00 0.00 C ATOM 266 OD1 ASN A 17 -1.019 -16.347 -22.550 1.00 0.00 O ATOM 267 ND2 ASN A 17 -3.251 -16.476 -22.773 1.00 0.00 N ATOM 0 H ASN A 17 -2.369 -16.797 -18.104 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.159 -14.741 -20.073 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.340 -17.177 -20.178 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.009 -17.637 -20.449 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.208 -16.279 -23.773 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.152 -16.633 -22.322 1.00 0.00 H new ATOM 274 N TYR A 18 -5.119 -16.048 -19.462 1.00 0.00 N ATOM 275 CA TYR A 18 -6.550 -15.865 -19.676 1.00 0.00 C ATOM 276 C TYR A 18 -7.008 -14.506 -19.156 1.00 0.00 C ATOM 277 O TYR A 18 -7.628 -13.727 -19.881 1.00 0.00 O ATOM 278 CB TYR A 18 -7.336 -16.980 -18.984 1.00 0.00 C ATOM 279 CG TYR A 18 -8.833 -16.762 -18.997 1.00 0.00 C ATOM 280 CD1 TYR A 18 -9.458 -16.041 -17.987 1.00 0.00 C ATOM 281 CD2 TYR A 18 -9.621 -17.277 -20.019 1.00 0.00 C ATOM 282 CE1 TYR A 18 -10.825 -15.841 -17.994 1.00 0.00 C ATOM 283 CE2 TYR A 18 -10.988 -17.081 -20.034 1.00 0.00 C ATOM 284 CZ TYR A 18 -11.585 -16.362 -19.020 1.00 0.00 C ATOM 285 OH TYR A 18 -12.947 -16.163 -19.031 1.00 0.00 O ATOM 0 H TYR A 18 -4.883 -16.781 -18.793 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.741 -15.907 -20.748 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -7.111 -17.929 -19.472 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.998 -17.064 -17.951 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.865 -15.630 -17.183 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -9.157 -17.840 -20.815 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.296 -15.280 -17.200 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.586 -17.489 -20.836 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.151 -15.275 -18.670 1.00 0.00 H new ATOM 295 N LYS A 19 -6.698 -14.227 -17.894 1.00 0.00 N ATOM 296 CA LYS A 19 -7.076 -12.962 -17.275 1.00 0.00 C ATOM 297 C LYS A 19 -6.528 -11.782 -18.070 1.00 0.00 C ATOM 298 O LYS A 19 -7.265 -10.860 -18.418 1.00 0.00 O ATOM 299 CB LYS A 19 -6.563 -12.903 -15.834 1.00 0.00 C ATOM 300 CG LYS A 19 -7.124 -13.998 -14.943 1.00 0.00 C ATOM 301 CD LYS A 19 -8.639 -13.925 -14.857 1.00 0.00 C ATOM 302 CE LYS A 19 -9.116 -13.936 -13.413 1.00 0.00 C ATOM 303 NZ LYS A 19 -10.384 -14.701 -13.253 1.00 0.00 N ATOM 0 H LYS A 19 -6.186 -14.860 -17.280 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.164 -12.899 -17.270 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.475 -12.974 -15.841 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.816 -11.933 -15.406 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.827 -14.972 -15.332 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.697 -13.910 -13.944 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.989 -13.018 -15.350 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.076 -14.768 -15.392 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.345 -14.374 -12.779 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.265 -12.911 -13.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.676 -14.685 -12.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.127 -14.268 -13.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.236 -15.685 -13.554 1.00 0.00 H new ATOM 317 N SER A 20 -5.230 -11.818 -18.355 1.00 0.00 N ATOM 318 CA SER A 20 -4.583 -10.750 -19.108 1.00 0.00 C ATOM 319 C SER A 20 -5.231 -10.581 -20.478 1.00 0.00 C ATOM 320 O SER A 20 -5.431 -9.463 -20.949 1.00 0.00 O ATOM 321 CB SER A 20 -3.090 -11.043 -19.269 1.00 0.00 C ATOM 322 OG SER A 20 -2.415 -10.953 -18.027 1.00 0.00 O ATOM 0 H SER A 20 -4.606 -12.575 -18.076 1.00 0.00 H new ATOM 0 HA SER A 20 -4.705 -9.821 -18.551 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.955 -12.040 -19.688 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.652 -10.338 -19.976 1.00 0.00 H new ATOM 0 HG SER A 20 -2.387 -11.837 -17.605 1.00 0.00 H new ATOM 328 N ASN A 21 -5.556 -11.703 -21.114 1.00 0.00 N ATOM 329 CA ASN A 21 -6.182 -11.681 -22.431 1.00 0.00 C ATOM 330 C ASN A 21 -7.458 -10.845 -22.414 1.00 0.00 C ATOM 331 O ASN A 21 -7.669 -9.996 -23.280 1.00 0.00 O ATOM 332 CB ASN A 21 -6.498 -13.105 -22.893 1.00 0.00 C ATOM 333 CG ASN A 21 -7.315 -13.131 -24.169 1.00 0.00 C ATOM 334 OD1 ASN A 21 -6.768 -13.090 -25.271 1.00 0.00 O ATOM 335 ND2 ASN A 21 -8.634 -13.199 -24.026 1.00 0.00 N ATOM 0 H ASN A 21 -5.396 -12.638 -20.738 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.481 -11.226 -23.131 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.566 -13.648 -23.050 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.042 -13.627 -22.106 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.236 -13.219 -24.849 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.045 -13.231 -23.093 1.00 0.00 H new ATOM 342 N VAL A 22 -8.306 -11.091 -21.421 1.00 0.00 N ATOM 343 CA VAL A 22 -9.562 -10.361 -21.289 1.00 0.00 C ATOM 344 C VAL A 22 -9.315 -8.911 -20.887 1.00 0.00 C ATOM 345 O VAL A 22 -10.033 -8.006 -21.313 1.00 0.00 O ATOM 346 CB VAL A 22 -10.488 -11.019 -20.249 1.00 0.00 C ATOM 347 CG1 VAL A 22 -11.843 -10.330 -20.229 1.00 0.00 C ATOM 348 CG2 VAL A 22 -10.640 -12.505 -20.538 1.00 0.00 C ATOM 0 H VAL A 22 -8.147 -11.790 -20.696 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.047 -10.388 -22.265 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.037 -10.908 -19.263 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.484 -10.809 -19.488 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.713 -9.279 -19.971 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.305 -10.408 -21.213 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.297 -12.955 -19.794 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.069 -12.641 -21.531 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.663 -12.986 -20.497 1.00 0.00 H new ATOM 358 N CYS A 23 -8.293 -8.697 -20.065 1.00 0.00 N ATOM 359 CA CYS A 23 -7.949 -7.357 -19.605 1.00 0.00 C ATOM 360 C CYS A 23 -7.754 -6.410 -20.786 1.00 0.00 C ATOM 361 O CYS A 23 -8.273 -5.294 -20.792 1.00 0.00 O ATOM 362 CB CYS A 23 -6.677 -7.397 -18.755 1.00 0.00 C ATOM 363 SG CYS A 23 -6.954 -7.903 -17.027 1.00 0.00 S ATOM 0 H CYS A 23 -7.688 -9.435 -19.704 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.774 -6.987 -18.996 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.967 -8.085 -19.215 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.216 -6.410 -18.764 1.00 0.00 H new ATOM 368 N ASN A 24 -7.003 -6.864 -21.784 1.00 0.00 N ATOM 369 CA ASN A 24 -6.740 -6.058 -22.971 1.00 0.00 C ATOM 370 C ASN A 24 -8.030 -5.779 -23.736 1.00 0.00 C ATOM 371 O ASN A 24 -8.079 -4.893 -24.588 1.00 0.00 O ATOM 372 CB ASN A 24 -5.737 -6.768 -23.882 1.00 0.00 C ATOM 373 CG ASN A 24 -4.971 -5.800 -24.764 1.00 0.00 C ATOM 374 OD1 ASN A 24 -5.162 -5.766 -25.980 1.00 0.00 O ATOM 375 ND2 ASN A 24 -4.099 -5.006 -24.153 1.00 0.00 N ATOM 0 H ASN A 24 -6.566 -7.785 -21.795 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.318 -5.107 -22.648 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.033 -7.334 -23.272 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.265 -7.487 -24.509 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.555 -4.334 -24.694 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.973 -5.069 -23.143 1.00 0.00 H new ATOM 382 N GLY A 25 -9.074 -6.541 -23.424 1.00 0.00 N ATOM 383 CA GLY A 25 -10.351 -6.359 -24.088 1.00 0.00 C ATOM 384 C GLY A 25 -11.227 -5.338 -23.390 1.00 0.00 C ATOM 385 O GLY A 25 -11.990 -4.618 -24.035 1.00 0.00 O ATOM 0 H GLY A 25 -9.058 -7.281 -22.723 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.180 -6.043 -25.117 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.875 -7.314 -24.130 1.00 0.00 H new ATOM 389 N CYS A 26 -11.121 -5.276 -22.067 1.00 0.00 N ATOM 390 CA CYS A 26 -11.911 -4.337 -21.279 1.00 0.00 C ATOM 391 C CYS A 26 -11.818 -2.928 -21.859 1.00 0.00 C ATOM 392 O CYS A 26 -12.752 -2.135 -21.743 1.00 0.00 O ATOM 393 CB CYS A 26 -11.436 -4.334 -19.825 1.00 0.00 C ATOM 394 SG CYS A 26 -12.298 -3.130 -18.764 1.00 0.00 S ATOM 0 H CYS A 26 -10.495 -5.865 -21.518 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.952 -4.658 -21.314 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.571 -5.332 -19.408 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.367 -4.121 -19.804 1.00 0.00 H new ATOM 399 N GLY A 27 -10.684 -2.624 -22.483 1.00 0.00 N ATOM 400 CA GLY A 27 -10.490 -1.312 -23.071 1.00 0.00 C ATOM 401 C GLY A 27 -9.151 -0.704 -22.702 1.00 0.00 C ATOM 402 O GLY A 27 -8.128 -1.388 -22.709 1.00 0.00 O ATOM 0 H GLY A 27 -9.896 -3.263 -22.592 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.564 -1.389 -24.156 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.290 -0.648 -22.743 1.00 0.00 H new ATOM 406 N ASP A 28 -9.158 0.585 -22.381 1.00 0.00 N ATOM 407 CA ASP A 28 -7.935 1.286 -22.007 1.00 0.00 C ATOM 408 C ASP A 28 -7.763 1.307 -20.491 1.00 0.00 C ATOM 409 O ASP A 28 -7.102 2.190 -19.945 1.00 0.00 O ATOM 410 CB ASP A 28 -7.954 2.716 -22.550 1.00 0.00 C ATOM 411 CG ASP A 28 -7.764 2.766 -24.053 1.00 0.00 C ATOM 412 OD1 ASP A 28 -6.602 2.703 -24.507 1.00 0.00 O ATOM 413 OD2 ASP A 28 -8.777 2.870 -24.777 1.00 0.00 O ATOM 0 H ASP A 28 -9.997 1.166 -22.372 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.091 0.751 -22.444 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.902 3.188 -22.290 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.167 3.295 -22.068 1.00 0.00 H new ATOM 418 N GLN A 29 -8.363 0.330 -19.819 1.00 0.00 N ATOM 419 CA GLN A 29 -8.277 0.238 -18.366 1.00 0.00 C ATOM 420 C GLN A 29 -7.441 -0.966 -17.946 1.00 0.00 C ATOM 421 O GLN A 29 -7.622 -1.511 -16.857 1.00 0.00 O ATOM 422 CB GLN A 29 -9.677 0.139 -17.757 1.00 0.00 C ATOM 423 CG GLN A 29 -10.299 1.490 -17.441 1.00 0.00 C ATOM 424 CD GLN A 29 -11.626 1.366 -16.717 1.00 0.00 C ATOM 425 OE1 GLN A 29 -12.536 0.581 -17.281 1.00 0.00 O flip ATOM 426 NE2 GLN A 29 -11.830 1.969 -15.664 1.00 0.00 N flip ATOM 0 H GLN A 29 -8.914 -0.409 -20.257 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.791 1.141 -17.998 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.327 -0.399 -18.447 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.625 -0.451 -16.842 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.608 2.070 -16.829 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.445 2.044 -18.368 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.101 2.562 -15.266 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.728 1.876 -15.189 1.00 0.00 H new ATOM 435 N VAL A 30 -6.523 -1.376 -18.816 1.00 0.00 N ATOM 436 CA VAL A 30 -5.657 -2.514 -18.534 1.00 0.00 C ATOM 437 C VAL A 30 -5.003 -2.381 -17.163 1.00 0.00 C ATOM 438 O VAL A 30 -5.066 -3.296 -16.343 1.00 0.00 O ATOM 439 CB VAL A 30 -4.558 -2.662 -19.603 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.618 -3.804 -19.248 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.176 -2.876 -20.976 1.00 0.00 C ATOM 0 H VAL A 30 -6.360 -0.937 -19.722 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.288 -3.403 -18.547 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.977 -1.740 -19.631 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.848 -3.893 -20.015 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.149 -3.603 -18.285 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.182 -4.735 -19.190 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.385 -2.979 -21.719 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.783 -3.781 -20.965 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.804 -2.022 -21.230 1.00 0.00 H new ATOM 451 N ALA A 31 -4.375 -1.235 -16.922 1.00 0.00 N ATOM 452 CA ALA A 31 -3.711 -0.981 -15.650 1.00 0.00 C ATOM 453 C ALA A 31 -4.648 -1.252 -14.477 1.00 0.00 C ATOM 454 O ALA A 31 -4.255 -1.867 -13.487 1.00 0.00 O ATOM 455 CB ALA A 31 -3.200 0.451 -15.598 1.00 0.00 C ATOM 0 H ALA A 31 -4.312 -0.468 -17.591 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.863 -1.662 -15.569 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.706 0.627 -14.642 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.490 0.614 -16.409 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.037 1.140 -15.706 1.00 0.00 H new ATOM 461 N ALA A 32 -5.888 -0.790 -14.597 1.00 0.00 N ATOM 462 CA ALA A 32 -6.880 -0.983 -13.547 1.00 0.00 C ATOM 463 C ALA A 32 -7.282 -2.450 -13.435 1.00 0.00 C ATOM 464 O ALA A 32 -7.515 -2.959 -12.338 1.00 0.00 O ATOM 465 CB ALA A 32 -8.103 -0.118 -13.811 1.00 0.00 C ATOM 0 H ALA A 32 -6.230 -0.279 -15.411 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.433 -0.682 -12.599 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.836 -0.272 -13.019 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.809 0.931 -13.834 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.542 -0.392 -14.770 1.00 0.00 H new ATOM 471 N CYS A 33 -7.362 -3.126 -14.577 1.00 0.00 N ATOM 472 CA CYS A 33 -7.737 -4.534 -14.608 1.00 0.00 C ATOM 473 C CYS A 33 -6.796 -5.367 -13.742 1.00 0.00 C ATOM 474 O CYS A 33 -7.229 -6.275 -13.034 1.00 0.00 O ATOM 475 CB CYS A 33 -7.720 -5.056 -16.046 1.00 0.00 C ATOM 476 SG CYS A 33 -8.357 -6.753 -16.229 1.00 0.00 S ATOM 0 H CYS A 33 -7.172 -2.720 -15.493 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.747 -4.624 -14.207 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -8.313 -4.388 -16.671 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.697 -5.021 -16.422 1.00 0.00 H new ATOM 481 N GLU A 34 -5.506 -5.049 -13.804 1.00 0.00 N ATOM 482 CA GLU A 34 -4.505 -5.769 -13.026 1.00 0.00 C ATOM 483 C GLU A 34 -4.206 -5.040 -11.719 1.00 0.00 C ATOM 484 O GLU A 34 -3.523 -5.570 -10.843 1.00 0.00 O ATOM 485 CB GLU A 34 -3.218 -5.933 -13.837 1.00 0.00 C ATOM 486 CG GLU A 34 -3.455 -6.361 -15.275 1.00 0.00 C ATOM 487 CD GLU A 34 -2.393 -7.317 -15.782 1.00 0.00 C ATOM 488 OE1 GLU A 34 -2.499 -8.527 -15.494 1.00 0.00 O ATOM 489 OE2 GLU A 34 -1.456 -6.855 -16.466 1.00 0.00 O ATOM 0 H GLU A 34 -5.131 -4.299 -14.384 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.905 -6.755 -12.790 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.673 -4.989 -13.833 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.582 -6.670 -13.348 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.433 -6.836 -15.352 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.478 -5.478 -15.914 1.00 0.00 H new ATOM 496 N ALA A 35 -4.722 -3.822 -11.595 1.00 0.00 N ATOM 497 CA ALA A 35 -4.513 -3.022 -10.395 1.00 0.00 C ATOM 498 C ALA A 35 -4.851 -3.817 -9.139 1.00 0.00 C ATOM 499 O ALA A 35 -4.100 -3.803 -8.164 1.00 0.00 O ATOM 500 CB ALA A 35 -5.346 -1.750 -10.457 1.00 0.00 C ATOM 0 H ALA A 35 -5.288 -3.367 -12.311 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.458 -2.751 -10.348 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.180 -1.162 -9.554 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.054 -1.166 -11.329 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.402 -2.010 -10.532 1.00 0.00 H new ATOM 506 N GLU A 36 -5.987 -4.508 -9.169 1.00 0.00 N ATOM 507 CA GLU A 36 -6.424 -5.308 -8.031 1.00 0.00 C ATOM 508 C GLU A 36 -6.302 -6.798 -8.335 1.00 0.00 C ATOM 509 O GLU A 36 -7.065 -7.614 -7.816 1.00 0.00 O ATOM 510 CB GLU A 36 -7.870 -4.967 -7.666 1.00 0.00 C ATOM 511 CG GLU A 36 -8.168 -3.477 -7.685 1.00 0.00 C ATOM 512 CD GLU A 36 -7.325 -2.701 -6.691 1.00 0.00 C ATOM 513 OE1 GLU A 36 -7.178 -3.172 -5.544 1.00 0.00 O ATOM 514 OE2 GLU A 36 -6.814 -1.623 -7.060 1.00 0.00 O ATOM 0 H GLU A 36 -6.620 -4.530 -9.968 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.778 -5.074 -7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.540 -5.472 -8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.087 -5.360 -6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.991 -3.088 -8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.223 -3.318 -7.463 1.00 0.00 H new ATOM 521 N CYS A 37 -5.338 -7.147 -9.180 1.00 0.00 N ATOM 522 CA CYS A 37 -5.115 -8.538 -9.555 1.00 0.00 C ATOM 523 C CYS A 37 -6.383 -9.153 -10.141 1.00 0.00 C ATOM 524 O CYS A 37 -6.825 -10.218 -9.710 1.00 0.00 O ATOM 525 CB CYS A 37 -4.656 -9.348 -8.341 1.00 0.00 C ATOM 526 SG CYS A 37 -3.132 -8.724 -7.563 1.00 0.00 S ATOM 0 H CYS A 37 -4.698 -6.485 -9.618 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.335 -8.563 -10.316 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.454 -9.353 -7.599 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.498 -10.382 -8.647 1.00 0.00 H new ATOM 531 N PHE A 38 -6.961 -8.475 -11.127 1.00 0.00 N ATOM 532 CA PHE A 38 -8.179 -8.953 -11.771 1.00 0.00 C ATOM 533 C PHE A 38 -9.336 -9.006 -10.777 1.00 0.00 C ATOM 534 O PHE A 38 -10.322 -9.710 -10.993 1.00 0.00 O ATOM 535 CB PHE A 38 -7.950 -10.339 -12.378 1.00 0.00 C ATOM 536 CG PHE A 38 -6.659 -10.455 -13.136 1.00 0.00 C ATOM 537 CD1 PHE A 38 -6.279 -9.474 -14.039 1.00 0.00 C ATOM 538 CD2 PHE A 38 -5.824 -11.545 -12.946 1.00 0.00 C ATOM 539 CE1 PHE A 38 -5.092 -9.579 -14.738 1.00 0.00 C ATOM 540 CE2 PHE A 38 -4.635 -11.655 -13.643 1.00 0.00 C ATOM 541 CZ PHE A 38 -4.268 -10.670 -14.539 1.00 0.00 C ATOM 0 H PHE A 38 -6.606 -7.593 -11.497 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.438 -8.254 -12.566 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.962 -11.082 -11.581 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.777 -10.575 -13.047 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.918 -8.618 -14.198 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.105 -12.317 -12.245 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.808 -8.809 -15.440 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.994 -12.510 -13.487 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.339 -10.752 -15.083 1.00 0.00 H new ATOM 551 N ARG A 39 -9.206 -8.257 -9.687 1.00 0.00 N ATOM 552 CA ARG A 39 -10.239 -8.219 -8.659 1.00 0.00 C ATOM 553 C ARG A 39 -10.780 -6.803 -8.484 1.00 0.00 C ATOM 554 O ARG A 39 -10.525 -6.151 -7.473 1.00 0.00 O ATOM 555 CB ARG A 39 -9.683 -8.731 -7.329 1.00 0.00 C ATOM 556 CG ARG A 39 -10.751 -9.267 -6.389 1.00 0.00 C ATOM 557 CD ARG A 39 -11.440 -10.492 -6.969 1.00 0.00 C ATOM 558 NE ARG A 39 -12.183 -11.234 -5.954 1.00 0.00 N ATOM 559 CZ ARG A 39 -11.605 -11.956 -5.001 1.00 0.00 C ATOM 560 NH1 ARG A 39 -10.283 -12.033 -4.932 1.00 0.00 N ATOM 561 NH2 ARG A 39 -12.350 -12.603 -4.113 1.00 0.00 N ATOM 0 H ARG A 39 -8.396 -7.668 -9.493 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.057 -8.866 -8.977 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.957 -9.519 -7.528 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.147 -7.922 -6.833 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.299 -9.522 -5.431 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.490 -8.490 -6.196 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.120 -10.183 -7.763 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.695 -11.146 -7.423 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.202 -11.196 -5.978 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.707 -11.537 -5.612 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.842 -12.588 -4.199 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.367 -12.546 -4.162 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.905 -13.157 -3.381 1.00 0.00 H new ATOM 575 N ASN A 40 -11.528 -6.334 -9.478 1.00 0.00 N ATOM 576 CA ASN A 40 -12.105 -4.995 -9.435 1.00 0.00 C ATOM 577 C ASN A 40 -13.357 -4.914 -10.302 1.00 0.00 C ATOM 578 O ASN A 40 -13.606 -5.787 -11.134 1.00 0.00 O ATOM 579 CB ASN A 40 -11.079 -3.961 -9.903 1.00 0.00 C ATOM 580 CG ASN A 40 -10.384 -4.374 -11.186 1.00 0.00 C ATOM 581 OD1 ASN A 40 -10.975 -4.333 -12.265 1.00 0.00 O ATOM 582 ND2 ASN A 40 -9.124 -4.776 -11.073 1.00 0.00 N ATOM 0 H ASN A 40 -11.749 -6.861 -10.323 1.00 0.00 H new ATOM 0 HA ASN A 40 -12.385 -4.779 -8.404 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.576 -3.003 -10.055 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.334 -3.813 -9.121 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.605 -5.067 -11.902 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.674 -4.794 -10.158 1.00 0.00 H new ATOM 589 N ASP A 41 -14.142 -3.861 -10.101 1.00 0.00 N ATOM 590 CA ASP A 41 -15.368 -3.665 -10.865 1.00 0.00 C ATOM 591 C ASP A 41 -15.061 -3.463 -12.345 1.00 0.00 C ATOM 592 O ASP A 41 -15.826 -3.886 -13.212 1.00 0.00 O ATOM 593 CB ASP A 41 -16.144 -2.462 -10.324 1.00 0.00 C ATOM 594 CG ASP A 41 -17.645 -2.663 -10.394 1.00 0.00 C ATOM 595 OD1 ASP A 41 -18.088 -3.588 -11.106 1.00 0.00 O ATOM 596 OD2 ASP A 41 -18.377 -1.895 -9.735 1.00 0.00 O ATOM 0 H ASP A 41 -13.951 -3.130 -9.415 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.980 -4.561 -10.759 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.852 -2.280 -9.290 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.872 -1.573 -10.892 1.00 0.00 H new ATOM 601 N VAL A 42 -13.935 -2.814 -12.628 1.00 0.00 N ATOM 602 CA VAL A 42 -13.526 -2.556 -14.003 1.00 0.00 C ATOM 603 C VAL A 42 -13.464 -3.849 -14.810 1.00 0.00 C ATOM 604 O VAL A 42 -14.024 -3.938 -15.902 1.00 0.00 O ATOM 605 CB VAL A 42 -12.153 -1.862 -14.059 1.00 0.00 C ATOM 606 CG1 VAL A 42 -11.622 -1.842 -15.485 1.00 0.00 C ATOM 607 CG2 VAL A 42 -12.245 -0.452 -13.496 1.00 0.00 C ATOM 0 H VAL A 42 -13.290 -2.458 -11.923 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.276 -1.896 -14.438 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.454 -2.429 -13.444 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.651 -1.348 -15.505 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.516 -2.864 -15.848 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.318 -1.300 -16.125 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.265 0.023 -13.544 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.958 0.128 -14.082 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.577 -0.495 -12.459 1.00 0.00 H new ATOM 617 N TYR A 43 -12.779 -4.847 -14.264 1.00 0.00 N ATOM 618 CA TYR A 43 -12.641 -6.135 -14.933 1.00 0.00 C ATOM 619 C TYR A 43 -13.923 -6.954 -14.808 1.00 0.00 C ATOM 620 O TYR A 43 -14.373 -7.577 -15.770 1.00 0.00 O ATOM 621 CB TYR A 43 -11.465 -6.916 -14.345 1.00 0.00 C ATOM 622 CG TYR A 43 -11.330 -8.317 -14.899 1.00 0.00 C ATOM 623 CD1 TYR A 43 -11.226 -8.537 -16.267 1.00 0.00 C ATOM 624 CD2 TYR A 43 -11.306 -9.419 -14.054 1.00 0.00 C ATOM 625 CE1 TYR A 43 -11.104 -9.815 -16.777 1.00 0.00 C ATOM 626 CE2 TYR A 43 -11.183 -10.701 -14.555 1.00 0.00 C ATOM 627 CZ TYR A 43 -11.082 -10.893 -15.917 1.00 0.00 C ATOM 628 OH TYR A 43 -10.959 -12.168 -16.421 1.00 0.00 O ATOM 0 H TYR A 43 -12.311 -4.789 -13.360 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.452 -5.948 -15.990 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.543 -6.368 -14.538 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -11.582 -6.972 -13.263 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.241 -7.695 -16.943 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.385 -9.271 -12.987 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -11.026 -9.969 -17.843 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.166 -11.547 -13.884 1.00 0.00 H new ATOM 0 HH TYR A 43 -10.444 -12.142 -17.255 1.00 0.00 H new ATOM 638 N THR A 44 -14.507 -6.948 -13.614 1.00 0.00 N ATOM 639 CA THR A 44 -15.736 -7.689 -13.360 1.00 0.00 C ATOM 640 C THR A 44 -16.848 -7.252 -14.307 1.00 0.00 C ATOM 641 O THR A 44 -17.691 -8.056 -14.702 1.00 0.00 O ATOM 642 CB THR A 44 -16.213 -7.506 -11.907 1.00 0.00 C ATOM 643 OG1 THR A 44 -15.179 -7.902 -10.999 1.00 0.00 O ATOM 644 CG2 THR A 44 -17.468 -8.324 -11.642 1.00 0.00 C ATOM 0 H THR A 44 -14.148 -6.438 -12.807 1.00 0.00 H new ATOM 0 HA THR A 44 -15.510 -8.742 -13.530 1.00 0.00 H new ATOM 0 HB THR A 44 -16.447 -6.452 -11.754 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.627 -7.124 -10.772 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.786 -8.179 -10.610 1.00 0.00 H new ATOM 0 HG22 THR A 44 -18.262 -8.001 -12.315 1.00 0.00 H new ATOM 0 HG23 THR A 44 -17.257 -9.380 -11.811 1.00 0.00 H new ATOM 652 N ALA A 45 -16.842 -5.973 -14.668 1.00 0.00 N ATOM 653 CA ALA A 45 -17.849 -5.429 -15.570 1.00 0.00 C ATOM 654 C ALA A 45 -17.547 -5.800 -17.018 1.00 0.00 C ATOM 655 O ALA A 45 -18.408 -6.319 -17.729 1.00 0.00 O ATOM 656 CB ALA A 45 -17.934 -3.917 -15.418 1.00 0.00 C ATOM 0 H ALA A 45 -16.151 -5.294 -14.349 1.00 0.00 H new ATOM 0 HA ALA A 45 -18.812 -5.865 -15.303 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.690 -3.525 -16.098 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.205 -3.669 -14.392 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -16.967 -3.473 -15.655 1.00 0.00 H new ATOM 662 N CYS A 46 -16.319 -5.531 -17.449 1.00 0.00 N ATOM 663 CA CYS A 46 -15.903 -5.835 -18.813 1.00 0.00 C ATOM 664 C CYS A 46 -16.002 -7.333 -19.091 1.00 0.00 C ATOM 665 O CYS A 46 -16.644 -7.756 -20.052 1.00 0.00 O ATOM 666 CB CYS A 46 -14.470 -5.355 -19.050 1.00 0.00 C ATOM 667 SG CYS A 46 -14.269 -3.546 -18.964 1.00 0.00 S ATOM 0 H CYS A 46 -15.594 -5.103 -16.873 1.00 0.00 H new ATOM 0 HA CYS A 46 -16.572 -5.312 -19.496 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -13.816 -5.818 -18.311 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -14.140 -5.701 -20.030 1.00 0.00 H new ATOM 672 N HIS A 47 -15.360 -8.130 -18.242 1.00 0.00 N ATOM 673 CA HIS A 47 -15.376 -9.580 -18.395 1.00 0.00 C ATOM 674 C HIS A 47 -16.806 -10.096 -18.532 1.00 0.00 C ATOM 675 O HIS A 47 -17.110 -10.871 -19.438 1.00 0.00 O ATOM 676 CB HIS A 47 -14.694 -10.247 -17.200 1.00 0.00 C ATOM 677 CG HIS A 47 -14.442 -11.711 -17.395 1.00 0.00 C ATOM 678 ND1 HIS A 47 -14.193 -12.577 -16.352 1.00 0.00 N ATOM 679 CD2 HIS A 47 -14.402 -12.460 -18.522 1.00 0.00 C ATOM 680 CE1 HIS A 47 -14.010 -13.796 -16.828 1.00 0.00 C ATOM 681 NE2 HIS A 47 -14.132 -13.752 -18.143 1.00 0.00 N ATOM 0 H HIS A 47 -14.823 -7.796 -17.442 1.00 0.00 H new ATOM 0 HA HIS A 47 -14.829 -9.831 -19.304 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.745 -9.746 -17.007 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -15.314 -10.108 -16.314 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -14.156 -12.317 -15.366 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.554 -12.107 -19.531 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.797 -14.678 -16.242 1.00 0.00 H new ATOM 689 N GLU A 48 -17.676 -9.662 -17.627 1.00 0.00 N ATOM 690 CA GLU A 48 -19.072 -10.082 -17.647 1.00 0.00 C ATOM 691 C GLU A 48 -19.746 -9.670 -18.953 1.00 0.00 C ATOM 692 O GLU A 48 -20.640 -10.357 -19.446 1.00 0.00 O ATOM 693 CB GLU A 48 -19.827 -9.480 -16.460 1.00 0.00 C ATOM 694 CG GLU A 48 -19.654 -10.263 -15.169 1.00 0.00 C ATOM 695 CD GLU A 48 -20.671 -11.378 -15.022 1.00 0.00 C ATOM 696 OE1 GLU A 48 -21.377 -11.670 -16.010 1.00 0.00 O ATOM 697 OE2 GLU A 48 -20.761 -11.959 -13.921 1.00 0.00 O ATOM 0 H GLU A 48 -17.439 -9.020 -16.871 1.00 0.00 H new ATOM 0 HA GLU A 48 -19.098 -11.169 -17.571 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -19.485 -8.457 -16.303 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -20.888 -9.427 -16.704 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -18.650 -10.686 -15.137 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -19.741 -9.583 -14.322 1.00 0.00 H new ATOM 704 N ALA A 49 -19.309 -8.544 -19.508 1.00 0.00 N ATOM 705 CA ALA A 49 -19.868 -8.041 -20.756 1.00 0.00 C ATOM 706 C ALA A 49 -19.417 -8.889 -21.941 1.00 0.00 C ATOM 707 O ALA A 49 -20.129 -9.006 -22.937 1.00 0.00 O ATOM 708 CB ALA A 49 -19.470 -6.587 -20.964 1.00 0.00 C ATOM 0 H ALA A 49 -18.570 -7.963 -19.113 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.954 -8.104 -20.690 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.894 -6.224 -21.900 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.847 -5.985 -20.137 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.384 -6.509 -21.004 1.00 0.00 H new ATOM 714 N GLN A 50 -18.231 -9.477 -21.824 1.00 0.00 N ATOM 715 CA GLN A 50 -17.686 -10.314 -22.887 1.00 0.00 C ATOM 716 C GLN A 50 -18.662 -11.425 -23.259 1.00 0.00 C ATOM 717 O GLN A 50 -19.027 -12.252 -22.423 1.00 0.00 O ATOM 718 CB GLN A 50 -16.348 -10.917 -22.455 1.00 0.00 C ATOM 719 CG GLN A 50 -15.445 -11.290 -23.619 1.00 0.00 C ATOM 720 CD GLN A 50 -14.417 -12.340 -23.246 1.00 0.00 C ATOM 721 OE1 GLN A 50 -13.838 -12.302 -22.160 1.00 0.00 O ATOM 722 NE2 GLN A 50 -14.184 -13.287 -24.148 1.00 0.00 N ATOM 0 H GLN A 50 -17.629 -9.390 -21.005 1.00 0.00 H new ATOM 0 HA GLN A 50 -17.527 -9.687 -23.764 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -15.827 -10.204 -21.816 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.537 -11.806 -21.853 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -16.055 -11.660 -24.443 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -14.933 -10.397 -23.978 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.686 -13.281 -25.036 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.503 -14.021 -23.953 1.00 0.00 H new ATOM 731 N LYS A 51 -19.081 -11.440 -24.520 1.00 0.00 N ATOM 732 CA LYS A 51 -20.014 -12.450 -25.005 1.00 0.00 C ATOM 733 C LYS A 51 -19.312 -13.789 -25.202 1.00 0.00 C ATOM 734 O LYS A 51 -19.816 -14.833 -24.785 1.00 0.00 O ATOM 735 CB LYS A 51 -20.649 -11.996 -26.322 1.00 0.00 C ATOM 736 CG LYS A 51 -21.340 -10.647 -26.231 1.00 0.00 C ATOM 737 CD LYS A 51 -22.731 -10.772 -25.634 1.00 0.00 C ATOM 738 CE LYS A 51 -23.595 -9.568 -25.978 1.00 0.00 C ATOM 739 NZ LYS A 51 -24.007 -9.571 -27.409 1.00 0.00 N ATOM 0 H LYS A 51 -18.789 -10.763 -25.225 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.796 -12.577 -24.256 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.877 -11.948 -27.090 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.373 -12.745 -26.644 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.741 -9.971 -25.621 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.408 -10.204 -27.225 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.207 -11.680 -26.004 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.656 -10.870 -24.551 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.482 -9.565 -25.345 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.045 -8.652 -25.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.785 -8.895 -27.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.199 -9.295 -28.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.324 -10.524 -27.677 1.00 0.00 H new TER 753 LYS A 51