USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=10 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 180:sc= 0.65 USER MOD Set 1.2: A 47 HIS : no HD1:sc= 0.978 K(o=1.6,f=-10!) USER MOD Set 2.1: A 13 HIS : no HD1:sc= -1.4! C(o=-4.4!,f=-8.4!) USER MOD Set 2.2: A 17 ASN : amide:sc= -3! C(o=-4.4!,f=-7!) USER MOD Single : A 1 SER N :NH3+ -135:sc= 0.0121 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.205 USER MOD Single : A 11 MET CE :methyl -155:sc= -0.0713 (180deg=-1.83) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0506 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -122:sc= 0.672 (180deg=-0.0403) USER MOD Single : A 20 SER OG : rot 99:sc= 1.15 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 24 ASN : amide:sc=-0.00328 X(o=-0.0033,f=-0.12) USER MOD Single : A 29 GLN : amide:sc= -5.79! C(o=-5.8!,f=-14!) USER MOD Single : A 40 ASN : amide:sc= -4.85! C(o=-4.9!,f=-15!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.55) USER MOD Single : A 51 LYS NZ :NH3+ 163:sc= -0.0157 (180deg=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.038 -2.616 -13.743 1.00 0.00 N ATOM 2 CA SER A 1 4.066 -1.737 -13.037 1.00 0.00 C ATOM 3 C SER A 1 4.105 -2.028 -11.547 1.00 0.00 C ATOM 4 O SER A 1 5.176 -2.201 -10.964 1.00 0.00 O ATOM 5 CB SER A 1 2.660 -1.989 -13.577 1.00 0.00 C ATOM 6 OG SER A 1 1.792 -0.958 -13.123 1.00 0.00 O ATOM 0 H1 SER A 1 5.578 -2.054 -14.432 1.00 0.00 H new ATOM 0 H2 SER A 1 5.691 -3.037 -13.052 1.00 0.00 H new ATOM 0 H3 SER A 1 4.525 -3.372 -14.240 1.00 0.00 H new ATOM 0 HA SER A 1 4.333 -0.694 -13.206 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.675 -2.014 -14.667 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.297 -2.960 -13.241 1.00 0.00 H new ATOM 0 HG SER A 1 0.889 -1.115 -13.469 1.00 0.00 H new ATOM 12 N GLU A 2 2.934 -2.072 -10.930 1.00 0.00 N ATOM 13 CA GLU A 2 2.859 -2.333 -9.507 1.00 0.00 C ATOM 14 C GLU A 2 3.276 -3.772 -9.212 1.00 0.00 C ATOM 15 O GLU A 2 3.081 -4.650 -10.050 1.00 0.00 O ATOM 16 CB GLU A 2 1.423 -2.122 -9.001 1.00 0.00 C ATOM 17 CG GLU A 2 1.149 -0.630 -8.855 1.00 0.00 C ATOM 18 CD GLU A 2 1.359 0.058 -10.196 1.00 0.00 C ATOM 19 OE1 GLU A 2 2.482 0.452 -10.466 1.00 0.00 O ATOM 20 OE2 GLU A 2 0.399 0.175 -10.938 1.00 0.00 O ATOM 0 H GLU A 2 2.034 -1.932 -11.389 1.00 0.00 H new ATOM 0 HA GLU A 2 3.532 -1.643 -8.999 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.712 -2.567 -9.697 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.287 -2.623 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.128 -0.469 -8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.813 -0.199 -8.105 1.00 0.00 H new ATOM 27 N PRO A 3 3.811 -4.029 -8.038 1.00 0.00 N ATOM 28 CA PRO A 3 4.214 -5.402 -7.611 1.00 0.00 C ATOM 29 C PRO A 3 3.234 -6.544 -7.970 1.00 0.00 C ATOM 30 O PRO A 3 2.498 -7.105 -7.153 1.00 0.00 O ATOM 31 CB PRO A 3 4.376 -5.296 -6.096 1.00 0.00 C ATOM 32 CG PRO A 3 4.628 -3.846 -5.792 1.00 0.00 C ATOM 33 CD PRO A 3 4.116 -3.028 -6.989 1.00 0.00 C ATOM 0 HA PRO A 3 5.118 -5.686 -8.149 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.480 -5.649 -5.585 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.205 -5.914 -5.751 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.114 -3.551 -4.878 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.691 -3.667 -5.632 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.229 -2.453 -6.723 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.867 -2.316 -7.330 1.00 0.00 H new ATOM 41 N ASP A 4 3.315 -6.841 -9.255 1.00 0.00 N ATOM 42 CA ASP A 4 2.521 -7.916 -9.890 1.00 0.00 C ATOM 43 C ASP A 4 3.288 -9.208 -9.662 1.00 0.00 C ATOM 44 O ASP A 4 2.658 -10.260 -9.682 1.00 0.00 O ATOM 45 CB ASP A 4 2.294 -7.657 -11.392 1.00 0.00 C ATOM 46 CG ASP A 4 1.835 -8.945 -12.079 1.00 0.00 C ATOM 47 OD1 ASP A 4 2.411 -9.289 -13.098 1.00 0.00 O ATOM 48 OD2 ASP A 4 0.919 -9.573 -11.570 1.00 0.00 O ATOM 0 H ASP A 4 3.931 -6.350 -9.903 1.00 0.00 H new ATOM 0 HA ASP A 4 1.525 -7.966 -9.449 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.545 -6.876 -11.526 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.215 -7.298 -11.851 1.00 0.00 H new ATOM 53 N GLU A 5 4.581 -9.224 -9.502 1.00 0.00 N ATOM 54 CA GLU A 5 5.251 -10.504 -9.337 1.00 0.00 C ATOM 55 C GLU A 5 4.596 -11.439 -8.311 1.00 0.00 C ATOM 56 O GLU A 5 4.500 -12.651 -8.512 1.00 0.00 O ATOM 57 CB GLU A 5 6.701 -10.241 -8.956 1.00 0.00 C ATOM 58 CG GLU A 5 6.752 -9.113 -7.923 1.00 0.00 C ATOM 59 CD GLU A 5 8.175 -8.909 -7.437 1.00 0.00 C ATOM 60 OE1 GLU A 5 8.398 -7.945 -6.724 1.00 0.00 O ATOM 61 OE2 GLU A 5 9.021 -9.716 -7.782 1.00 0.00 O ATOM 0 H GLU A 5 5.184 -8.402 -9.481 1.00 0.00 H new ATOM 0 HA GLU A 5 5.174 -11.029 -10.289 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.152 -11.145 -8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.278 -9.968 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.375 -8.190 -8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.103 -9.353 -7.080 1.00 0.00 H new ATOM 68 N ILE A 6 4.148 -10.842 -7.208 1.00 0.00 N ATOM 69 CA ILE A 6 3.509 -11.592 -6.134 1.00 0.00 C ATOM 70 C ILE A 6 2.199 -12.188 -6.630 1.00 0.00 C ATOM 71 O ILE A 6 1.874 -13.339 -6.335 1.00 0.00 O ATOM 72 CB ILE A 6 3.232 -10.658 -4.945 1.00 0.00 C ATOM 73 CG1 ILE A 6 4.513 -9.905 -4.550 1.00 0.00 C ATOM 74 CG2 ILE A 6 2.754 -11.480 -3.750 1.00 0.00 C ATOM 75 CD1 ILE A 6 5.686 -10.880 -4.367 1.00 0.00 C ATOM 0 H ILE A 6 4.217 -9.839 -7.037 1.00 0.00 H new ATOM 0 HA ILE A 6 4.172 -12.396 -5.816 1.00 0.00 H new ATOM 0 HB ILE A 6 2.465 -9.940 -5.236 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.760 -9.172 -5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.345 -9.354 -3.625 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.558 -10.817 -2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.839 -12.010 -4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.523 -12.201 -3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.581 -10.324 -4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.444 -11.597 -3.582 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.866 -11.412 -5.301 1.00 0.00 H new ATOM 87 N CYS A 7 1.449 -11.382 -7.369 1.00 0.00 N ATOM 88 CA CYS A 7 0.162 -11.832 -7.882 1.00 0.00 C ATOM 89 C CYS A 7 0.335 -13.006 -8.835 1.00 0.00 C ATOM 90 O CYS A 7 -0.427 -13.966 -8.787 1.00 0.00 O ATOM 91 CB CYS A 7 -0.608 -10.685 -8.557 1.00 0.00 C ATOM 92 SG CYS A 7 -2.289 -10.647 -7.932 1.00 0.00 S ATOM 0 H CYS A 7 1.704 -10.428 -7.624 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.430 -12.170 -7.032 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.113 -9.734 -8.359 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.613 -10.823 -9.638 1.00 0.00 H new ATOM 97 N ARG A 8 1.336 -12.881 -9.706 1.00 0.00 N ATOM 98 CA ARG A 8 1.619 -13.889 -10.728 1.00 0.00 C ATOM 99 C ARG A 8 2.053 -15.178 -10.084 1.00 0.00 C ATOM 100 O ARG A 8 1.671 -16.262 -10.526 1.00 0.00 O ATOM 101 CB ARG A 8 2.686 -13.391 -11.696 1.00 0.00 C ATOM 102 CG ARG A 8 2.879 -14.431 -12.806 1.00 0.00 C ATOM 103 CD ARG A 8 3.932 -13.932 -13.788 1.00 0.00 C ATOM 104 NE ARG A 8 5.218 -13.802 -13.110 1.00 0.00 N ATOM 105 CZ ARG A 8 6.040 -14.839 -12.982 1.00 0.00 C ATOM 106 NH1 ARG A 8 7.183 -14.693 -12.368 1.00 0.00 N ATOM 107 NH2 ARG A 8 5.703 -16.003 -13.466 1.00 0.00 N ATOM 0 H ARG A 8 1.971 -12.083 -9.724 1.00 0.00 H new ATOM 0 HA ARG A 8 0.705 -14.072 -11.293 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.388 -12.434 -12.125 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.625 -13.225 -11.168 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.188 -15.384 -12.377 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.936 -14.606 -13.324 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.020 -14.625 -14.624 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.630 -12.970 -14.202 1.00 0.00 H new ATOM 0 HE ARG A 8 5.492 -12.897 -12.727 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.445 -13.784 -11.987 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.814 -15.488 -12.269 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.809 -16.118 -13.943 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.334 -16.798 -13.368 1.00 0.00 H new ATOM 121 N ALA A 9 2.893 -15.060 -9.075 1.00 0.00 N ATOM 122 CA ALA A 9 3.439 -16.214 -8.389 1.00 0.00 C ATOM 123 C ALA A 9 2.354 -17.012 -7.697 1.00 0.00 C ATOM 124 O ALA A 9 2.617 -18.115 -7.221 1.00 0.00 O ATOM 125 CB ALA A 9 4.469 -15.737 -7.363 1.00 0.00 C ATOM 0 H ALA A 9 3.215 -14.164 -8.708 1.00 0.00 H new ATOM 0 HA ALA A 9 3.911 -16.866 -9.124 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.887 -16.597 -6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.268 -15.199 -7.873 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.987 -15.075 -6.644 1.00 0.00 H new ATOM 131 N ARG A 10 1.137 -16.467 -7.593 1.00 0.00 N ATOM 132 CA ARG A 10 0.042 -17.137 -6.915 1.00 0.00 C ATOM 133 C ARG A 10 -0.954 -17.713 -7.915 1.00 0.00 C ATOM 134 O ARG A 10 -1.817 -18.511 -7.551 1.00 0.00 O ATOM 135 CB ARG A 10 -0.660 -16.118 -6.013 1.00 0.00 C ATOM 136 CG ARG A 10 -1.767 -16.799 -5.212 1.00 0.00 C ATOM 137 CD ARG A 10 -2.370 -15.812 -4.217 1.00 0.00 C ATOM 138 NE ARG A 10 -3.319 -16.507 -3.352 1.00 0.00 N ATOM 139 CZ ARG A 10 -4.579 -16.712 -3.733 1.00 0.00 C ATOM 140 NH1 ARG A 10 -5.408 -17.339 -2.941 1.00 0.00 N ATOM 141 NH2 ARG A 10 -4.986 -16.289 -4.899 1.00 0.00 N ATOM 0 H ARG A 10 0.893 -15.554 -7.977 1.00 0.00 H new ATOM 0 HA ARG A 10 0.437 -17.964 -6.325 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.062 -15.663 -5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.080 -15.314 -6.618 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.540 -17.168 -5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.366 -17.663 -4.683 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.582 -15.357 -3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.872 -15.004 -4.749 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.011 -16.842 -2.439 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.090 -17.672 -2.031 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.373 -17.496 -3.233 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.339 -15.801 -5.519 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.951 -16.446 -5.190 1.00 0.00 H new ATOM 155 N MET A 11 -0.842 -17.299 -9.187 1.00 0.00 N ATOM 156 CA MET A 11 -1.753 -17.762 -10.243 1.00 0.00 C ATOM 157 C MET A 11 -0.979 -18.427 -11.374 1.00 0.00 C ATOM 158 O MET A 11 0.197 -18.131 -11.589 1.00 0.00 O ATOM 159 CB MET A 11 -2.591 -16.588 -10.753 1.00 0.00 C ATOM 160 CG MET A 11 -1.677 -15.400 -11.088 1.00 0.00 C ATOM 161 SD MET A 11 -2.585 -13.848 -10.907 1.00 0.00 S ATOM 162 CE MET A 11 -4.013 -14.320 -11.901 1.00 0.00 C ATOM 0 H MET A 11 -0.129 -16.644 -9.508 1.00 0.00 H new ATOM 0 HA MET A 11 -2.427 -18.512 -9.828 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.152 -16.888 -11.638 1.00 0.00 H new ATOM 0 HB3 MET A 11 -3.320 -16.295 -9.998 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.809 -15.402 -10.429 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.303 -15.495 -12.107 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.489 -13.425 -12.302 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.689 -14.958 -12.723 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.725 -14.863 -11.280 1.00 0.00 H new ATOM 172 N THR A 12 -1.652 -19.275 -12.126 1.00 0.00 N ATOM 173 CA THR A 12 -1.021 -19.917 -13.270 1.00 0.00 C ATOM 174 C THR A 12 -0.872 -18.922 -14.423 1.00 0.00 C ATOM 175 O THR A 12 -1.536 -17.882 -14.448 1.00 0.00 O ATOM 176 CB THR A 12 -1.872 -21.095 -13.728 1.00 0.00 C ATOM 177 OG1 THR A 12 -3.143 -20.620 -14.153 1.00 0.00 O ATOM 178 CG2 THR A 12 -2.048 -22.062 -12.561 1.00 0.00 C ATOM 0 H THR A 12 -2.626 -19.536 -11.971 1.00 0.00 H new ATOM 0 HA THR A 12 -0.033 -20.268 -12.974 1.00 0.00 H new ATOM 0 HB THR A 12 -1.384 -21.607 -14.557 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.692 -21.376 -14.450 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.656 -22.909 -12.879 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.071 -22.419 -12.234 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.542 -21.550 -11.736 1.00 0.00 H new ATOM 186 N HIS A 13 -0.002 -19.253 -15.377 1.00 0.00 N ATOM 187 CA HIS A 13 0.226 -18.393 -16.536 1.00 0.00 C ATOM 188 C HIS A 13 -1.021 -18.333 -17.408 1.00 0.00 C ATOM 189 O HIS A 13 -1.392 -17.257 -17.875 1.00 0.00 O ATOM 190 CB HIS A 13 1.414 -18.900 -17.353 1.00 0.00 C ATOM 191 CG HIS A 13 1.813 -17.858 -18.362 1.00 0.00 C ATOM 192 ND1 HIS A 13 2.296 -16.614 -17.988 1.00 0.00 N ATOM 193 CD2 HIS A 13 1.824 -17.866 -19.735 1.00 0.00 C ATOM 194 CE1 HIS A 13 2.576 -15.932 -19.112 1.00 0.00 C ATOM 195 NE2 HIS A 13 2.309 -16.649 -20.206 1.00 0.00 N ATOM 0 H HIS A 13 0.554 -20.108 -15.370 1.00 0.00 H new ATOM 0 HA HIS A 13 0.451 -17.388 -16.178 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.253 -19.123 -16.694 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.151 -19.829 -17.859 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.505 -18.691 -20.355 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.969 -14.926 -19.128 1.00 0.00 H new ATOM 0 HE2 HIS A 13 2.434 -16.366 -21.178 1.00 0.00 H new ATOM 203 N LYS A 14 -1.672 -19.467 -17.647 1.00 0.00 N ATOM 204 CA LYS A 14 -2.868 -19.489 -18.484 1.00 0.00 C ATOM 205 C LYS A 14 -3.954 -18.619 -17.883 1.00 0.00 C ATOM 206 O LYS A 14 -4.634 -17.885 -18.600 1.00 0.00 O ATOM 207 CB LYS A 14 -3.318 -20.935 -18.643 1.00 0.00 C ATOM 208 CG LYS A 14 -4.647 -20.995 -19.405 1.00 0.00 C ATOM 209 CD LYS A 14 -5.054 -22.447 -19.650 1.00 0.00 C ATOM 210 CE LYS A 14 -6.374 -22.465 -20.423 1.00 0.00 C ATOM 211 NZ LYS A 14 -6.773 -23.875 -20.678 1.00 0.00 N ATOM 0 H LYS A 14 -1.395 -20.376 -17.277 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.648 -19.078 -19.470 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.557 -21.503 -19.178 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.431 -21.398 -17.663 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.423 -20.484 -18.836 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.552 -20.471 -20.356 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.279 -22.966 -20.214 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.165 -22.973 -18.702 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.149 -21.952 -19.854 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.264 -21.929 -21.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.670 -23.892 -21.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.035 -24.349 -21.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.893 -24.371 -19.772 1.00 0.00 H new ATOM 225 N GLU A 15 -4.132 -18.716 -16.580 1.00 0.00 N ATOM 226 CA GLU A 15 -5.170 -17.946 -15.923 1.00 0.00 C ATOM 227 C GLU A 15 -4.829 -16.464 -15.961 1.00 0.00 C ATOM 228 O GLU A 15 -5.682 -15.624 -16.254 1.00 0.00 O ATOM 229 CB GLU A 15 -5.301 -18.420 -14.480 1.00 0.00 C ATOM 230 CG GLU A 15 -6.483 -17.716 -13.826 1.00 0.00 C ATOM 231 CD GLU A 15 -6.674 -18.224 -12.403 1.00 0.00 C ATOM 232 OE1 GLU A 15 -5.786 -18.901 -11.911 1.00 0.00 O ATOM 233 OE2 GLU A 15 -7.708 -17.933 -11.826 1.00 0.00 O ATOM 0 H GLU A 15 -3.580 -19.311 -15.963 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.117 -18.093 -16.442 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.445 -19.500 -14.451 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.385 -18.205 -13.930 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.315 -16.639 -13.816 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.388 -17.892 -14.408 1.00 0.00 H new ATOM 240 N PHE A 16 -3.580 -16.161 -15.665 1.00 0.00 N ATOM 241 CA PHE A 16 -3.119 -14.782 -15.669 1.00 0.00 C ATOM 242 C PHE A 16 -3.268 -14.144 -17.039 1.00 0.00 C ATOM 243 O PHE A 16 -3.766 -13.024 -17.144 1.00 0.00 O ATOM 244 CB PHE A 16 -1.652 -14.701 -15.265 1.00 0.00 C ATOM 245 CG PHE A 16 -1.235 -13.245 -15.162 1.00 0.00 C ATOM 246 CD1 PHE A 16 -0.351 -12.696 -16.104 1.00 0.00 C ATOM 247 CD2 PHE A 16 -1.731 -12.445 -14.125 1.00 0.00 C ATOM 248 CE1 PHE A 16 0.035 -11.352 -16.004 1.00 0.00 C ATOM 249 CE2 PHE A 16 -1.345 -11.101 -14.027 1.00 0.00 C ATOM 250 CZ PHE A 16 -0.461 -10.555 -14.967 1.00 0.00 C ATOM 0 H PHE A 16 -2.866 -16.847 -15.419 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.739 -14.244 -14.951 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.499 -15.203 -14.310 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.033 -15.217 -15.999 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.032 -13.309 -16.906 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.412 -12.864 -13.399 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.716 -10.931 -16.729 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.729 -10.486 -13.227 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.163 -9.520 -14.891 1.00 0.00 H new ATOM 260 N ASN A 17 -2.885 -14.858 -18.098 1.00 0.00 N ATOM 261 CA ASN A 17 -3.036 -14.351 -19.449 1.00 0.00 C ATOM 262 C ASN A 17 -4.507 -14.142 -19.784 1.00 0.00 C ATOM 263 O ASN A 17 -4.855 -13.159 -20.439 1.00 0.00 O ATOM 264 CB ASN A 17 -2.408 -15.317 -20.442 1.00 0.00 C ATOM 265 CG ASN A 17 -0.896 -15.279 -20.305 1.00 0.00 C ATOM 266 OD1 ASN A 17 -0.344 -14.306 -19.789 1.00 0.00 O ATOM 267 ND2 ASN A 17 -0.189 -16.284 -20.728 1.00 0.00 N ATOM 0 H ASN A 17 -2.469 -15.788 -18.039 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.527 -13.390 -19.515 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.774 -16.328 -20.262 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.698 -15.049 -21.458 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.826 -16.269 -20.633 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.650 -17.088 -21.155 1.00 0.00 H new ATOM 274 N TYR A 18 -5.374 -15.083 -19.389 1.00 0.00 N ATOM 275 CA TYR A 18 -6.794 -15.010 -19.704 1.00 0.00 C ATOM 276 C TYR A 18 -7.446 -13.770 -19.123 1.00 0.00 C ATOM 277 O TYR A 18 -8.080 -12.976 -19.820 1.00 0.00 O ATOM 278 CB TYR A 18 -7.497 -16.268 -19.179 1.00 0.00 C ATOM 279 CG TYR A 18 -8.996 -16.098 -19.292 1.00 0.00 C ATOM 280 CD1 TYR A 18 -9.697 -15.456 -18.266 1.00 0.00 C ATOM 281 CD2 TYR A 18 -9.678 -16.564 -20.421 1.00 0.00 C ATOM 282 CE1 TYR A 18 -11.078 -15.278 -18.363 1.00 0.00 C ATOM 283 CE2 TYR A 18 -11.065 -16.389 -20.519 1.00 0.00 C ATOM 284 CZ TYR A 18 -11.764 -15.744 -19.490 1.00 0.00 C ATOM 285 OH TYR A 18 -13.129 -15.568 -19.587 1.00 0.00 O ATOM 0 H TYR A 18 -5.108 -15.906 -18.848 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.894 -14.949 -20.788 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -7.176 -17.140 -19.748 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -7.219 -16.445 -18.140 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -9.168 -15.097 -17.396 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -9.137 -17.057 -21.215 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.616 -14.781 -17.569 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.595 -16.751 -21.387 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.449 -15.948 -20.432 1.00 0.00 H new ATOM 295 N LYS A 19 -7.282 -13.636 -17.815 1.00 0.00 N ATOM 296 CA LYS A 19 -7.852 -12.531 -17.085 1.00 0.00 C ATOM 297 C LYS A 19 -7.272 -11.213 -17.561 1.00 0.00 C ATOM 298 O LYS A 19 -7.967 -10.206 -17.658 1.00 0.00 O ATOM 299 CB LYS A 19 -7.630 -12.691 -15.580 1.00 0.00 C ATOM 300 CG LYS A 19 -8.346 -13.957 -15.090 1.00 0.00 C ATOM 301 CD LYS A 19 -8.261 -14.030 -13.569 1.00 0.00 C ATOM 302 CE LYS A 19 -9.011 -15.262 -13.060 1.00 0.00 C ATOM 303 NZ LYS A 19 -8.919 -15.323 -11.571 1.00 0.00 N ATOM 0 H LYS A 19 -6.752 -14.290 -17.239 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.925 -12.529 -17.275 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.564 -12.756 -15.364 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.010 -11.817 -15.050 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.389 -13.944 -15.407 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.889 -14.841 -15.534 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.218 -14.075 -13.257 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.687 -13.128 -13.129 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.055 -15.218 -13.369 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.587 -16.165 -13.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.483 -16.223 -11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.338 -14.532 -11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.873 -15.256 -11.161 1.00 0.00 H new ATOM 317 N SER A 20 -5.974 -11.227 -17.842 1.00 0.00 N ATOM 318 CA SER A 20 -5.295 -10.024 -18.292 1.00 0.00 C ATOM 319 C SER A 20 -5.918 -9.467 -19.571 1.00 0.00 C ATOM 320 O SER A 20 -6.159 -8.266 -19.712 1.00 0.00 O ATOM 321 CB SER A 20 -3.798 -10.279 -18.478 1.00 0.00 C ATOM 322 OG SER A 20 -3.222 -10.621 -17.224 1.00 0.00 O ATOM 0 H SER A 20 -5.378 -12.051 -17.766 1.00 0.00 H new ATOM 0 HA SER A 20 -5.419 -9.270 -17.515 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.641 -11.084 -19.196 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.313 -9.391 -18.884 1.00 0.00 H new ATOM 0 HG SER A 20 -3.133 -11.595 -17.160 1.00 0.00 H new ATOM 328 N ASN A 21 -6.218 -10.404 -20.470 1.00 0.00 N ATOM 329 CA ASN A 21 -6.866 -10.089 -21.736 1.00 0.00 C ATOM 330 C ASN A 21 -8.250 -9.502 -21.486 1.00 0.00 C ATOM 331 O ASN A 21 -8.680 -8.599 -22.203 1.00 0.00 O ATOM 332 CB ASN A 21 -6.991 -11.339 -22.610 1.00 0.00 C ATOM 333 CG ASN A 21 -7.657 -10.972 -23.934 1.00 0.00 C ATOM 334 OD1 ASN A 21 -7.433 -9.880 -24.458 1.00 0.00 O ATOM 335 ND2 ASN A 21 -8.468 -11.818 -24.509 1.00 0.00 N ATOM 0 H ASN A 21 -6.019 -11.396 -20.340 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.250 -9.357 -22.258 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.006 -11.767 -22.793 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.578 -12.099 -22.094 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.916 -11.575 -25.392 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.653 -12.722 -24.075 1.00 0.00 H new ATOM 342 N VAL A 22 -8.942 -10.006 -20.463 1.00 0.00 N ATOM 343 CA VAL A 22 -10.278 -9.514 -20.122 1.00 0.00 C ATOM 344 C VAL A 22 -10.214 -8.051 -19.693 1.00 0.00 C ATOM 345 O VAL A 22 -11.000 -7.222 -20.154 1.00 0.00 O ATOM 346 CB VAL A 22 -10.869 -10.356 -18.995 1.00 0.00 C ATOM 347 CG1 VAL A 22 -12.218 -9.772 -18.578 1.00 0.00 C ATOM 348 CG2 VAL A 22 -11.064 -11.793 -19.491 1.00 0.00 C ATOM 0 H VAL A 22 -8.601 -10.753 -19.858 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.914 -9.593 -21.004 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.194 -10.352 -18.139 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.641 -10.373 -17.773 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.080 -8.748 -18.232 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.897 -9.779 -19.431 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.486 -12.400 -18.690 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.743 -11.795 -20.344 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.102 -12.208 -19.792 1.00 0.00 H new ATOM 358 N CYS A 23 -9.263 -7.743 -18.810 1.00 0.00 N ATOM 359 CA CYS A 23 -9.087 -6.380 -18.323 1.00 0.00 C ATOM 360 C CYS A 23 -8.605 -5.481 -19.451 1.00 0.00 C ATOM 361 O CYS A 23 -9.070 -4.347 -19.560 1.00 0.00 O ATOM 362 CB CYS A 23 -8.060 -6.327 -17.195 1.00 0.00 C ATOM 363 SG CYS A 23 -8.740 -6.984 -15.654 1.00 0.00 S ATOM 0 H CYS A 23 -8.606 -8.419 -18.420 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.052 -6.037 -17.949 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.176 -6.899 -17.478 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.737 -5.297 -17.042 1.00 0.00 H new ATOM 368 N ASN A 24 -7.698 -5.936 -20.294 1.00 0.00 N ATOM 369 CA ASN A 24 -7.212 -5.116 -21.378 1.00 0.00 C ATOM 370 C ASN A 24 -8.345 -4.788 -22.332 1.00 0.00 C ATOM 371 O ASN A 24 -8.322 -3.737 -22.976 1.00 0.00 O ATOM 372 CB ASN A 24 -6.098 -5.842 -22.109 1.00 0.00 C ATOM 373 CG ASN A 24 -5.585 -4.996 -23.264 1.00 0.00 C ATOM 374 OD1 ASN A 24 -5.255 -3.824 -23.081 1.00 0.00 O ATOM 375 ND2 ASN A 24 -5.493 -5.528 -24.450 1.00 0.00 N ATOM 0 H ASN A 24 -7.286 -6.868 -20.246 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.819 -4.183 -20.974 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.283 -6.060 -21.419 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.463 -6.798 -22.484 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.146 -4.973 -25.232 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.768 -6.499 -24.596 1.00 0.00 H new ATOM 382 N GLY A 25 -9.364 -5.663 -22.442 1.00 0.00 N ATOM 383 CA GLY A 25 -10.472 -5.382 -23.340 1.00 0.00 C ATOM 384 C GLY A 25 -11.507 -4.513 -22.665 1.00 0.00 C ATOM 385 O GLY A 25 -12.588 -4.305 -23.210 1.00 0.00 O ATOM 0 H GLY A 25 -9.433 -6.543 -21.931 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.102 -4.884 -24.236 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.931 -6.317 -23.662 1.00 0.00 H new ATOM 389 N CYS A 26 -11.221 -4.073 -21.430 1.00 0.00 N ATOM 390 CA CYS A 26 -12.187 -3.312 -20.661 1.00 0.00 C ATOM 391 C CYS A 26 -12.244 -1.864 -21.067 1.00 0.00 C ATOM 392 O CYS A 26 -13.323 -1.279 -21.005 1.00 0.00 O ATOM 393 CB CYS A 26 -11.915 -3.389 -19.163 1.00 0.00 C ATOM 394 SG CYS A 26 -13.308 -2.574 -18.325 1.00 0.00 S ATOM 0 H CYS A 26 -10.333 -4.235 -20.955 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.150 -3.774 -20.879 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.825 -4.426 -18.841 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.975 -2.896 -18.916 1.00 0.00 H new ATOM 399 N GLY A 27 -11.166 -1.274 -21.585 1.00 0.00 N ATOM 400 CA GLY A 27 -11.202 0.085 -22.056 1.00 0.00 C ATOM 401 C GLY A 27 -10.148 0.936 -21.343 1.00 0.00 C ATOM 402 O GLY A 27 -8.963 0.608 -21.378 1.00 0.00 O ATOM 0 H GLY A 27 -10.259 -1.730 -21.683 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.026 0.107 -23.132 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.192 0.507 -21.886 1.00 0.00 H new ATOM 406 N ASP A 28 -10.576 2.019 -20.687 1.00 0.00 N ATOM 407 CA ASP A 28 -9.649 2.898 -19.959 1.00 0.00 C ATOM 408 C ASP A 28 -9.620 2.493 -18.480 1.00 0.00 C ATOM 409 O ASP A 28 -9.062 3.205 -17.646 1.00 0.00 O ATOM 410 CB ASP A 28 -10.116 4.341 -20.109 1.00 0.00 C ATOM 411 CG ASP A 28 -9.947 4.789 -21.557 1.00 0.00 C ATOM 412 OD1 ASP A 28 -10.513 5.809 -21.912 1.00 0.00 O ATOM 413 OD2 ASP A 28 -9.262 4.098 -22.293 1.00 0.00 O ATOM 0 H ASP A 28 -11.553 2.309 -20.644 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.642 2.805 -20.366 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.161 4.428 -19.811 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.541 4.990 -19.448 1.00 0.00 H new ATOM 418 N GLN A 29 -10.196 1.347 -18.162 1.00 0.00 N ATOM 419 CA GLN A 29 -10.201 0.861 -16.779 1.00 0.00 C ATOM 420 C GLN A 29 -9.142 -0.203 -16.602 1.00 0.00 C ATOM 421 O GLN A 29 -9.090 -0.880 -15.576 1.00 0.00 O ATOM 422 CB GLN A 29 -11.561 0.308 -16.397 1.00 0.00 C ATOM 423 CG GLN A 29 -12.649 1.323 -16.742 1.00 0.00 C ATOM 424 CD GLN A 29 -12.932 1.288 -18.239 1.00 0.00 C ATOM 425 OE1 GLN A 29 -12.374 2.081 -18.998 1.00 0.00 O ATOM 426 NE2 GLN A 29 -13.761 0.400 -18.711 1.00 0.00 N ATOM 0 H GLN A 29 -10.664 0.735 -18.830 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.981 1.703 -16.123 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.744 -0.628 -16.924 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.586 0.083 -15.331 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.559 1.098 -16.185 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.333 2.323 -16.446 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.221 -0.255 -18.079 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.950 0.360 -19.713 1.00 0.00 H new ATOM 435 N VAL A 30 -8.323 -0.377 -17.629 1.00 0.00 N ATOM 436 CA VAL A 30 -7.288 -1.395 -17.586 1.00 0.00 C ATOM 437 C VAL A 30 -6.594 -1.422 -16.243 1.00 0.00 C ATOM 438 O VAL A 30 -6.427 -2.488 -15.647 1.00 0.00 O ATOM 439 CB VAL A 30 -6.243 -1.178 -18.708 1.00 0.00 C ATOM 440 CG1 VAL A 30 -5.204 -0.121 -18.299 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.495 -2.484 -19.025 1.00 0.00 C ATOM 0 H VAL A 30 -8.355 0.167 -18.491 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.779 -2.355 -17.742 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.790 -0.839 -19.588 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.483 0.011 -19.105 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.706 0.826 -18.103 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.685 -0.450 -17.399 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.767 -2.304 -19.816 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.980 -2.834 -18.131 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.207 -3.241 -19.353 1.00 0.00 H new ATOM 451 N ALA A 31 -6.132 -0.261 -15.770 1.00 0.00 N ATOM 452 CA ALA A 31 -5.406 -0.199 -14.537 1.00 0.00 C ATOM 453 C ALA A 31 -6.266 -0.531 -13.348 1.00 0.00 C ATOM 454 O ALA A 31 -5.830 -1.230 -12.437 1.00 0.00 O ATOM 455 CB ALA A 31 -4.657 1.139 -14.378 1.00 0.00 C ATOM 0 H ALA A 31 -6.257 0.638 -16.235 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.643 -0.976 -14.579 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.119 1.145 -13.430 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.948 1.259 -15.198 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.373 1.961 -14.394 1.00 0.00 H new ATOM 461 N ALA A 32 -7.504 -0.042 -13.351 1.00 0.00 N ATOM 462 CA ALA A 32 -8.419 -0.302 -12.271 1.00 0.00 C ATOM 463 C ALA A 32 -8.733 -1.790 -12.219 1.00 0.00 C ATOM 464 O ALA A 32 -8.826 -2.403 -11.154 1.00 0.00 O ATOM 465 CB ALA A 32 -9.722 0.471 -12.535 1.00 0.00 C ATOM 0 H ALA A 32 -7.886 0.538 -14.098 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.974 0.011 -11.326 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.426 0.284 -11.725 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.507 1.538 -12.590 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.157 0.139 -13.478 1.00 0.00 H new ATOM 471 N CYS A 33 -8.896 -2.331 -13.416 1.00 0.00 N ATOM 472 CA CYS A 33 -9.223 -3.741 -13.559 1.00 0.00 C ATOM 473 C CYS A 33 -8.078 -4.615 -13.078 1.00 0.00 C ATOM 474 O CYS A 33 -8.282 -5.708 -12.543 1.00 0.00 O ATOM 475 CB CYS A 33 -9.566 -4.081 -15.012 1.00 0.00 C ATOM 476 SG CYS A 33 -10.254 -5.755 -15.141 1.00 0.00 S ATOM 0 H CYS A 33 -8.808 -1.821 -14.295 1.00 0.00 H new ATOM 0 HA CYS A 33 -10.098 -3.940 -12.940 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.284 -3.358 -15.399 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -8.671 -4.003 -15.629 1.00 0.00 H new ATOM 481 N GLU A 34 -6.854 -4.117 -13.292 1.00 0.00 N ATOM 482 CA GLU A 34 -5.649 -4.825 -12.905 1.00 0.00 C ATOM 483 C GLU A 34 -5.337 -4.626 -11.440 1.00 0.00 C ATOM 484 O GLU A 34 -4.459 -5.308 -10.905 1.00 0.00 O ATOM 485 CB GLU A 34 -4.456 -4.327 -13.730 1.00 0.00 C ATOM 486 CG GLU A 34 -4.424 -4.990 -15.130 1.00 0.00 C ATOM 487 CD GLU A 34 -3.954 -4.020 -16.210 1.00 0.00 C ATOM 488 OE1 GLU A 34 -3.436 -4.498 -17.204 1.00 0.00 O ATOM 489 OE2 GLU A 34 -4.121 -2.823 -16.037 1.00 0.00 O ATOM 0 H GLU A 34 -6.682 -3.215 -13.737 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.821 -5.885 -13.090 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.513 -3.244 -13.839 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.529 -4.545 -13.201 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.762 -5.855 -15.106 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.419 -5.357 -15.380 1.00 0.00 H new ATOM 496 N ALA A 35 -5.949 -3.628 -10.794 1.00 0.00 N ATOM 497 CA ALA A 35 -5.666 -3.271 -9.412 1.00 0.00 C ATOM 498 C ALA A 35 -5.647 -4.454 -8.479 1.00 0.00 C ATOM 499 O ALA A 35 -4.662 -4.698 -7.784 1.00 0.00 O ATOM 500 CB ALA A 35 -6.780 -2.363 -8.921 1.00 0.00 C ATOM 0 H ALA A 35 -6.663 -3.042 -11.227 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.681 -2.805 -9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.590 -2.081 -7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.818 -1.466 -9.540 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.733 -2.889 -8.985 1.00 0.00 H new ATOM 506 N GLU A 36 -6.771 -5.151 -8.428 1.00 0.00 N ATOM 507 CA GLU A 36 -6.880 -6.272 -7.515 1.00 0.00 C ATOM 508 C GLU A 36 -6.699 -7.612 -8.218 1.00 0.00 C ATOM 509 O GLU A 36 -7.429 -8.560 -7.952 1.00 0.00 O ATOM 510 CB GLU A 36 -8.220 -6.237 -6.795 1.00 0.00 C ATOM 511 CG GLU A 36 -8.289 -4.983 -5.918 1.00 0.00 C ATOM 512 CD GLU A 36 -9.656 -4.881 -5.247 1.00 0.00 C ATOM 513 OE1 GLU A 36 -9.932 -3.849 -4.664 1.00 0.00 O ATOM 514 OE2 GLU A 36 -10.401 -5.843 -5.320 1.00 0.00 O ATOM 0 H GLU A 36 -7.600 -4.966 -8.993 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.073 -6.174 -6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.035 -6.234 -7.519 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.341 -7.131 -6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.506 -5.017 -5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.107 -4.096 -6.525 1.00 0.00 H new ATOM 521 N CYS A 37 -5.745 -7.688 -9.152 1.00 0.00 N ATOM 522 CA CYS A 37 -5.533 -8.921 -9.896 1.00 0.00 C ATOM 523 C CYS A 37 -6.842 -9.360 -10.533 1.00 0.00 C ATOM 524 O CYS A 37 -7.168 -10.546 -10.580 1.00 0.00 O ATOM 525 CB CYS A 37 -4.959 -10.027 -8.983 1.00 0.00 C ATOM 526 SG CYS A 37 -3.387 -10.618 -9.612 1.00 0.00 S ATOM 0 H CYS A 37 -5.121 -6.922 -9.403 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.801 -8.739 -10.683 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.829 -9.640 -7.972 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.665 -10.855 -8.919 1.00 0.00 H new ATOM 531 N PHE A 38 -7.575 -8.414 -11.076 1.00 0.00 N ATOM 532 CA PHE A 38 -8.814 -8.715 -11.749 1.00 0.00 C ATOM 533 C PHE A 38 -9.893 -9.094 -10.757 1.00 0.00 C ATOM 534 O PHE A 38 -11.003 -9.445 -11.154 1.00 0.00 O ATOM 535 CB PHE A 38 -8.603 -9.811 -12.816 1.00 0.00 C ATOM 536 CG PHE A 38 -7.175 -9.755 -13.323 1.00 0.00 C ATOM 537 CD1 PHE A 38 -6.391 -10.916 -13.392 1.00 0.00 C ATOM 538 CD2 PHE A 38 -6.645 -8.544 -13.732 1.00 0.00 C ATOM 539 CE1 PHE A 38 -5.085 -10.851 -13.880 1.00 0.00 C ATOM 540 CE2 PHE A 38 -5.343 -8.480 -14.215 1.00 0.00 C ATOM 541 CZ PHE A 38 -4.563 -9.632 -14.298 1.00 0.00 C ATOM 0 H PHE A 38 -7.330 -7.424 -11.063 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.153 -7.816 -12.265 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.811 -10.793 -12.390 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.299 -9.668 -13.642 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.799 -11.862 -13.067 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.244 -7.647 -13.676 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.482 -11.745 -13.933 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.933 -7.531 -14.528 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.556 -9.578 -14.686 1.00 0.00 H new ATOM 551 N ARG A 39 -9.585 -8.989 -9.462 1.00 0.00 N ATOM 552 CA ARG A 39 -10.536 -9.286 -8.403 1.00 0.00 C ATOM 553 C ARG A 39 -11.216 -7.988 -7.983 1.00 0.00 C ATOM 554 O ARG A 39 -10.906 -7.413 -6.949 1.00 0.00 O ATOM 555 CB ARG A 39 -9.813 -9.931 -7.208 1.00 0.00 C ATOM 556 CG ARG A 39 -10.831 -10.537 -6.259 1.00 0.00 C ATOM 557 CD ARG A 39 -10.104 -11.187 -5.084 1.00 0.00 C ATOM 558 NE ARG A 39 -11.056 -11.904 -4.250 1.00 0.00 N ATOM 559 CZ ARG A 39 -10.665 -12.554 -3.162 1.00 0.00 C ATOM 560 NH1 ARG A 39 -11.540 -13.187 -2.433 1.00 0.00 N ATOM 561 NH2 ARG A 39 -9.405 -12.556 -2.823 1.00 0.00 N ATOM 0 H ARG A 39 -8.668 -8.695 -9.124 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.286 -9.991 -8.762 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.126 -10.701 -7.559 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.215 -9.184 -6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.512 -9.766 -5.898 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.436 -11.278 -6.782 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.340 -11.872 -5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.592 -10.426 -4.495 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.043 -11.907 -4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.525 -13.182 -2.699 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.240 -13.687 -1.596 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.722 -12.058 -3.394 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.103 -13.055 -1.987 1.00 0.00 H new ATOM 575 N ASN A 40 -12.150 -7.555 -8.819 1.00 0.00 N ATOM 576 CA ASN A 40 -12.881 -6.314 -8.547 1.00 0.00 C ATOM 577 C ASN A 40 -14.173 -6.281 -9.336 1.00 0.00 C ATOM 578 O ASN A 40 -14.415 -7.126 -10.204 1.00 0.00 O ATOM 579 CB ASN A 40 -11.978 -5.127 -8.894 1.00 0.00 C ATOM 580 CG ASN A 40 -11.460 -5.254 -10.315 1.00 0.00 C ATOM 581 OD1 ASN A 40 -12.142 -5.780 -11.187 1.00 0.00 O ATOM 582 ND2 ASN A 40 -10.271 -4.804 -10.593 1.00 0.00 N ATOM 0 H ASN A 40 -12.420 -8.032 -9.679 1.00 0.00 H new ATOM 0 HA ASN A 40 -13.147 -6.258 -7.491 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.533 -4.195 -8.784 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.141 -5.083 -8.197 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.902 -4.888 -11.540 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.708 -4.367 -9.864 1.00 0.00 H new ATOM 589 N ASP A 41 -15.039 -5.316 -8.999 1.00 0.00 N ATOM 590 CA ASP A 41 -16.316 -5.225 -9.662 1.00 0.00 C ATOM 591 C ASP A 41 -16.107 -4.785 -11.098 1.00 0.00 C ATOM 592 O ASP A 41 -16.865 -5.207 -11.970 1.00 0.00 O ATOM 593 CB ASP A 41 -17.234 -4.235 -8.926 1.00 0.00 C ATOM 594 CG ASP A 41 -17.307 -4.583 -7.445 1.00 0.00 C ATOM 595 OD1 ASP A 41 -17.562 -5.735 -7.138 1.00 0.00 O ATOM 596 OD2 ASP A 41 -17.099 -3.690 -6.638 1.00 0.00 O ATOM 0 H ASP A 41 -14.871 -4.608 -8.284 1.00 0.00 H new ATOM 0 HA ASP A 41 -16.795 -6.204 -9.652 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -16.858 -3.219 -9.050 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -18.233 -4.261 -9.362 1.00 0.00 H new ATOM 601 N VAL A 42 -15.083 -3.987 -11.400 1.00 0.00 N ATOM 602 CA VAL A 42 -14.822 -3.579 -12.757 1.00 0.00 C ATOM 603 C VAL A 42 -14.520 -4.797 -13.607 1.00 0.00 C ATOM 604 O VAL A 42 -15.041 -4.937 -14.717 1.00 0.00 O ATOM 605 CB VAL A 42 -13.656 -2.577 -12.786 1.00 0.00 C ATOM 606 CG1 VAL A 42 -13.127 -2.429 -14.204 1.00 0.00 C ATOM 607 CG2 VAL A 42 -14.111 -1.209 -12.268 1.00 0.00 C ATOM 0 H VAL A 42 -14.426 -3.616 -10.713 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.703 -3.085 -13.168 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.863 -2.956 -12.141 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.302 -1.717 -14.212 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.776 -3.396 -14.564 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -13.924 -2.068 -14.854 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.273 -0.512 -12.296 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.917 -0.832 -12.897 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.467 -1.308 -11.242 1.00 0.00 H new ATOM 617 N TYR A 43 -13.700 -5.698 -13.080 1.00 0.00 N ATOM 618 CA TYR A 43 -13.362 -6.911 -13.784 1.00 0.00 C ATOM 619 C TYR A 43 -14.641 -7.629 -14.129 1.00 0.00 C ATOM 620 O TYR A 43 -14.836 -8.051 -15.265 1.00 0.00 O ATOM 621 CB TYR A 43 -12.477 -7.812 -12.893 1.00 0.00 C ATOM 622 CG TYR A 43 -12.393 -9.210 -13.474 1.00 0.00 C ATOM 623 CD1 TYR A 43 -13.061 -10.271 -12.844 1.00 0.00 C ATOM 624 CD2 TYR A 43 -11.662 -9.441 -14.641 1.00 0.00 C ATOM 625 CE1 TYR A 43 -13.000 -11.558 -13.385 1.00 0.00 C ATOM 626 CE2 TYR A 43 -11.599 -10.731 -15.179 1.00 0.00 C ATOM 627 CZ TYR A 43 -12.267 -11.787 -14.552 1.00 0.00 C ATOM 628 OH TYR A 43 -12.206 -13.056 -15.088 1.00 0.00 O ATOM 0 H TYR A 43 -13.260 -5.604 -12.165 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.807 -6.673 -14.692 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -11.478 -7.385 -12.811 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -12.889 -7.854 -11.885 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -13.623 -10.093 -11.939 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.147 -8.626 -15.127 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -13.518 -12.373 -12.902 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.033 -10.911 -16.081 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.657 -13.042 -15.899 1.00 0.00 H new ATOM 638 N THR A 44 -15.512 -7.782 -13.148 1.00 0.00 N ATOM 639 CA THR A 44 -16.758 -8.480 -13.392 1.00 0.00 C ATOM 640 C THR A 44 -17.559 -7.824 -14.514 1.00 0.00 C ATOM 641 O THR A 44 -17.959 -8.488 -15.452 1.00 0.00 O ATOM 642 CB THR A 44 -17.598 -8.583 -12.116 1.00 0.00 C ATOM 643 OG1 THR A 44 -16.917 -9.414 -11.187 1.00 0.00 O ATOM 644 CG2 THR A 44 -18.970 -9.190 -12.440 1.00 0.00 C ATOM 0 H THR A 44 -15.384 -7.440 -12.196 1.00 0.00 H new ATOM 0 HA THR A 44 -16.503 -9.490 -13.711 1.00 0.00 H new ATOM 0 HB THR A 44 -17.744 -7.590 -11.691 1.00 0.00 H new ATOM 0 HG1 THR A 44 -17.445 -9.486 -10.364 1.00 0.00 H new ATOM 0 HG21 THR A 44 -19.562 -9.260 -11.527 1.00 0.00 H new ATOM 0 HG22 THR A 44 -19.487 -8.556 -13.160 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.837 -10.186 -12.863 1.00 0.00 H new ATOM 652 N ALA A 45 -17.747 -6.501 -14.416 1.00 0.00 N ATOM 653 CA ALA A 45 -18.460 -5.659 -15.385 1.00 0.00 C ATOM 654 C ALA A 45 -17.823 -5.815 -16.762 1.00 0.00 C ATOM 655 O ALA A 45 -18.507 -5.986 -17.769 1.00 0.00 O ATOM 656 CB ALA A 45 -18.258 -4.213 -14.862 1.00 0.00 C ATOM 0 H ALA A 45 -17.391 -5.965 -13.624 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.514 -5.921 -15.481 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.760 -3.512 -15.528 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.679 -4.126 -13.860 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.193 -3.983 -14.829 1.00 0.00 H new ATOM 662 N CYS A 46 -16.481 -5.764 -16.784 1.00 0.00 N ATOM 663 CA CYS A 46 -15.759 -5.906 -18.045 1.00 0.00 C ATOM 664 C CYS A 46 -15.904 -7.329 -18.581 1.00 0.00 C ATOM 665 O CYS A 46 -16.134 -7.552 -19.773 1.00 0.00 O ATOM 666 CB CYS A 46 -14.270 -5.497 -17.886 1.00 0.00 C ATOM 667 SG CYS A 46 -14.181 -3.891 -17.060 1.00 0.00 S ATOM 0 H CYS A 46 -15.892 -5.629 -15.962 1.00 0.00 H new ATOM 0 HA CYS A 46 -16.198 -5.228 -18.776 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -13.734 -6.248 -17.306 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -13.788 -5.445 -18.862 1.00 0.00 H new ATOM 672 N HIS A 47 -15.753 -8.299 -17.681 1.00 0.00 N ATOM 673 CA HIS A 47 -15.837 -9.700 -18.062 1.00 0.00 C ATOM 674 C HIS A 47 -17.242 -10.053 -18.510 1.00 0.00 C ATOM 675 O HIS A 47 -17.424 -10.754 -19.506 1.00 0.00 O ATOM 676 CB HIS A 47 -15.420 -10.586 -16.887 1.00 0.00 C ATOM 677 CG HIS A 47 -15.252 -12.003 -17.358 1.00 0.00 C ATOM 678 ND1 HIS A 47 -15.785 -13.081 -16.669 1.00 0.00 N ATOM 679 CD2 HIS A 47 -14.608 -12.535 -18.449 1.00 0.00 C ATOM 680 CE1 HIS A 47 -15.455 -14.197 -17.345 1.00 0.00 C ATOM 681 NE2 HIS A 47 -14.738 -13.921 -18.438 1.00 0.00 N ATOM 0 H HIS A 47 -15.573 -8.138 -16.690 1.00 0.00 H new ATOM 0 HA HIS A 47 -15.159 -9.872 -18.898 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -14.487 -10.222 -16.457 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -16.172 -10.541 -16.100 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.081 -11.965 -19.200 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -15.736 -15.195 -17.041 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -14.366 -14.584 -19.118 1.00 0.00 H new ATOM 689 N GLU A 48 -18.237 -9.570 -17.776 1.00 0.00 N ATOM 690 CA GLU A 48 -19.625 -9.836 -18.097 1.00 0.00 C ATOM 691 C GLU A 48 -20.024 -9.125 -19.377 1.00 0.00 C ATOM 692 O GLU A 48 -20.950 -9.549 -20.069 1.00 0.00 O ATOM 693 CB GLU A 48 -20.527 -9.402 -16.947 1.00 0.00 C ATOM 694 CG GLU A 48 -20.171 -10.205 -15.676 1.00 0.00 C ATOM 695 CD GLU A 48 -20.792 -11.599 -15.719 1.00 0.00 C ATOM 696 OE1 GLU A 48 -21.740 -11.791 -16.459 1.00 0.00 O ATOM 697 OE2 GLU A 48 -20.298 -12.460 -15.005 1.00 0.00 O ATOM 0 H GLU A 48 -18.102 -8.988 -16.949 1.00 0.00 H new ATOM 0 HA GLU A 48 -19.743 -10.909 -18.249 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -20.407 -8.335 -16.760 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -21.572 -9.564 -17.211 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -19.088 -10.288 -15.585 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -20.525 -9.672 -14.794 1.00 0.00 H new ATOM 704 N ALA A 49 -19.337 -8.016 -19.672 1.00 0.00 N ATOM 705 CA ALA A 49 -19.639 -7.224 -20.850 1.00 0.00 C ATOM 706 C ALA A 49 -19.073 -7.877 -22.096 1.00 0.00 C ATOM 707 O ALA A 49 -19.558 -7.640 -23.202 1.00 0.00 O ATOM 708 CB ALA A 49 -19.042 -5.821 -20.697 1.00 0.00 C ATOM 0 H ALA A 49 -18.570 -7.654 -19.106 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.722 -7.156 -20.950 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.271 -5.230 -21.583 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.469 -5.338 -19.818 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.961 -5.896 -20.580 1.00 0.00 H new ATOM 714 N GLN A 50 -18.053 -8.723 -21.919 1.00 0.00 N ATOM 715 CA GLN A 50 -17.447 -9.414 -23.058 1.00 0.00 C ATOM 716 C GLN A 50 -18.132 -10.764 -23.257 1.00 0.00 C ATOM 717 O GLN A 50 -18.283 -11.548 -22.319 1.00 0.00 O ATOM 718 CB GLN A 50 -15.948 -9.586 -22.816 1.00 0.00 C ATOM 719 CG GLN A 50 -15.274 -8.220 -22.782 1.00 0.00 C ATOM 720 CD GLN A 50 -15.299 -7.602 -24.170 1.00 0.00 C ATOM 721 OE1 GLN A 50 -14.922 -8.252 -25.144 1.00 0.00 O ATOM 722 NE2 GLN A 50 -15.726 -6.380 -24.321 1.00 0.00 N ATOM 0 H GLN A 50 -17.637 -8.942 -21.014 1.00 0.00 H new ATOM 0 HA GLN A 50 -17.580 -8.824 -23.965 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -15.779 -10.109 -21.875 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.510 -10.199 -23.604 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.786 -7.569 -22.074 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -14.245 -8.320 -22.436 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -16.038 -5.845 -23.511 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.749 -5.959 -25.250 1.00 0.00 H new ATOM 731 N LYS A 51 -18.518 -11.032 -24.505 1.00 0.00 N ATOM 732 CA LYS A 51 -19.159 -12.295 -24.851 1.00 0.00 C ATOM 733 C LYS A 51 -20.339 -12.577 -23.929 1.00 0.00 C ATOM 734 O LYS A 51 -20.439 -13.697 -23.455 1.00 0.00 O ATOM 735 CB LYS A 51 -18.137 -13.432 -24.742 1.00 0.00 C ATOM 736 CG LYS A 51 -17.071 -13.279 -25.834 1.00 0.00 C ATOM 737 CD LYS A 51 -16.038 -14.403 -25.703 1.00 0.00 C ATOM 738 CE LYS A 51 -15.006 -14.283 -26.827 1.00 0.00 C ATOM 739 NZ LYS A 51 -14.263 -12.999 -26.684 1.00 0.00 N ATOM 0 H LYS A 51 -18.397 -10.391 -25.289 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.531 -12.227 -25.873 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -17.668 -13.418 -23.758 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.638 -14.395 -24.843 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.537 -13.312 -26.819 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.582 -12.309 -25.746 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.543 -14.345 -24.733 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.533 -15.373 -25.751 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.312 -15.123 -26.790 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.502 -14.322 -27.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.390 -13.038 -27.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.857 -12.215 -27.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.022 -12.847 -25.684 1.00 0.00 H new TER 753 LYS A 51