USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=8 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 43:sc= 1.3 USER MOD Set 1.2: A 47 HIS : no HE2:sc= 0.456 K(o=1.8,f=-3.8!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 174:sc= -2.12 (180deg=-2.3) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A 13 HIS : no HD1:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 89:sc= 0.711 USER MOD Single : A 21 ASN : amide:sc= -0.526 K(o=-0.53,f=-1.6!) USER MOD Single : A 24 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.18) USER MOD Single : A 29 GLN : amide:sc= -0.0195 X(o=-0.019,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.691 K(o=-0.69,f=-6.3!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 79:sc= 1.22 USER MOD Single : A 50 GLN : amide:sc= -0.0741 K(o=-0.074,f=-1.7!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.701 0.028 -0.681 1.00 0.00 N ATOM 2 CA SER A 1 3.628 -0.359 -1.738 1.00 0.00 C ATOM 3 C SER A 1 3.967 -1.844 -1.646 1.00 0.00 C ATOM 4 O SER A 1 4.861 -2.242 -0.900 1.00 0.00 O ATOM 5 CB SER A 1 4.908 0.474 -1.652 1.00 0.00 C ATOM 6 OG SER A 1 5.919 -0.057 -2.492 1.00 0.00 O ATOM 0 H1 SER A 1 2.485 1.042 -0.763 1.00 0.00 H new ATOM 0 H2 SER A 1 1.823 -0.522 -0.771 1.00 0.00 H new ATOM 0 H3 SER A 1 3.134 -0.160 0.246 1.00 0.00 H new ATOM 0 HA SER A 1 3.145 -0.173 -2.697 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.696 1.504 -1.939 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.262 0.497 -0.621 1.00 0.00 H new ATOM 0 HG SER A 1 6.726 0.494 -2.420 1.00 0.00 H new ATOM 12 N GLU A 2 3.246 -2.657 -2.411 1.00 0.00 N ATOM 13 CA GLU A 2 3.469 -4.098 -2.415 1.00 0.00 C ATOM 14 C GLU A 2 3.669 -4.614 -3.837 1.00 0.00 C ATOM 15 O GLU A 2 3.250 -3.993 -4.814 1.00 0.00 O ATOM 16 CB GLU A 2 2.290 -4.821 -1.760 1.00 0.00 C ATOM 17 CG GLU A 2 0.936 -4.254 -2.150 1.00 0.00 C ATOM 18 CD GLU A 2 -0.186 -5.262 -1.992 1.00 0.00 C ATOM 19 OE1 GLU A 2 -0.254 -5.911 -0.927 1.00 0.00 O ATOM 20 OE2 GLU A 2 -0.996 -5.402 -2.932 1.00 0.00 O ATOM 0 H GLU A 2 2.503 -2.343 -3.035 1.00 0.00 H new ATOM 0 HA GLU A 2 4.374 -4.301 -1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.325 -5.876 -2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.398 -4.768 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.722 -3.379 -1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.972 -3.916 -3.186 1.00 0.00 H new ATOM 27 N PRO A 3 4.326 -5.777 -3.958 1.00 0.00 N ATOM 28 CA PRO A 3 4.596 -6.403 -5.255 1.00 0.00 C ATOM 29 C PRO A 3 3.330 -6.937 -5.917 1.00 0.00 C ATOM 30 O PRO A 3 2.271 -6.996 -5.293 1.00 0.00 O ATOM 31 CB PRO A 3 5.542 -7.554 -4.904 1.00 0.00 C ATOM 32 CG PRO A 3 5.236 -7.875 -3.482 1.00 0.00 C ATOM 33 CD PRO A 3 4.854 -6.571 -2.836 1.00 0.00 C ATOM 0 HA PRO A 3 5.013 -5.694 -5.970 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.373 -8.416 -5.550 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.585 -7.262 -5.028 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.424 -8.598 -3.411 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.101 -8.317 -2.987 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.105 -6.713 -2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.712 -6.087 -2.370 1.00 0.00 H new ATOM 41 N ASP A 4 3.448 -7.324 -7.182 1.00 0.00 N ATOM 42 CA ASP A 4 2.312 -7.853 -7.928 1.00 0.00 C ATOM 43 C ASP A 4 2.511 -9.333 -8.242 1.00 0.00 C ATOM 44 O ASP A 4 1.544 -10.075 -8.415 1.00 0.00 O ATOM 45 CB ASP A 4 2.115 -7.066 -9.225 1.00 0.00 C ATOM 46 CG ASP A 4 1.991 -5.574 -8.983 1.00 0.00 C ATOM 47 OD1 ASP A 4 1.657 -5.183 -7.845 1.00 0.00 O ATOM 48 OD2 ASP A 4 2.230 -4.798 -9.931 1.00 0.00 O ATOM 0 H ASP A 4 4.318 -7.281 -7.712 1.00 0.00 H new ATOM 0 HA ASP A 4 1.421 -7.747 -7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.956 -7.254 -9.892 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.219 -7.425 -9.732 1.00 0.00 H new ATOM 53 N GLU A 5 3.770 -9.753 -8.316 1.00 0.00 N ATOM 54 CA GLU A 5 4.094 -11.144 -8.611 1.00 0.00 C ATOM 55 C GLU A 5 3.371 -12.087 -7.653 1.00 0.00 C ATOM 56 O GLU A 5 3.057 -13.224 -8.004 1.00 0.00 O ATOM 57 CB GLU A 5 5.604 -11.369 -8.522 1.00 0.00 C ATOM 58 CG GLU A 5 6.145 -11.320 -7.103 1.00 0.00 C ATOM 59 CD GLU A 5 7.660 -11.289 -7.056 1.00 0.00 C ATOM 60 OE1 GLU A 5 8.254 -10.400 -7.702 1.00 0.00 O ATOM 61 OE2 GLU A 5 8.251 -12.151 -6.374 1.00 0.00 O ATOM 0 H GLU A 5 4.581 -9.151 -8.176 1.00 0.00 H new ATOM 0 HA GLU A 5 3.761 -11.360 -9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.845 -12.338 -8.960 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.111 -10.613 -9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.752 -10.437 -6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.786 -12.189 -6.551 1.00 0.00 H new ATOM 68 N ILE A 6 3.111 -11.605 -6.442 1.00 0.00 N ATOM 69 CA ILE A 6 2.425 -12.403 -5.434 1.00 0.00 C ATOM 70 C ILE A 6 1.111 -12.958 -5.973 1.00 0.00 C ATOM 71 O ILE A 6 0.848 -14.158 -5.886 1.00 0.00 O ATOM 72 CB ILE A 6 2.139 -11.581 -4.164 1.00 0.00 C ATOM 73 CG1 ILE A 6 3.443 -11.034 -3.580 1.00 0.00 C ATOM 74 CG2 ILE A 6 1.408 -12.432 -3.136 1.00 0.00 C ATOM 75 CD1 ILE A 6 4.446 -12.110 -3.228 1.00 0.00 C ATOM 0 H ILE A 6 3.365 -10.666 -6.136 1.00 0.00 H new ATOM 0 HA ILE A 6 3.089 -13.229 -5.180 1.00 0.00 H new ATOM 0 HB ILE A 6 1.500 -10.739 -4.430 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.894 -10.349 -4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.216 -10.454 -2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.213 -11.837 -2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.463 -12.778 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.024 -13.292 -2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.346 -11.649 -2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.014 -12.782 -2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.703 -12.675 -4.124 1.00 0.00 H new ATOM 87 N CYS A 7 0.288 -12.077 -6.533 1.00 0.00 N ATOM 88 CA CYS A 7 -0.999 -12.477 -7.087 1.00 0.00 C ATOM 89 C CYS A 7 -0.819 -13.531 -8.176 1.00 0.00 C ATOM 90 O CYS A 7 -1.691 -14.373 -8.391 1.00 0.00 O ATOM 91 CB CYS A 7 -1.734 -11.261 -7.656 1.00 0.00 C ATOM 92 SG CYS A 7 -2.486 -10.188 -6.390 1.00 0.00 S ATOM 0 H CYS A 7 0.491 -11.081 -6.615 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.594 -12.909 -6.282 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.034 -10.671 -8.248 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.514 -11.606 -8.335 1.00 0.00 H new ATOM 97 N ARG A 8 0.319 -13.477 -8.861 1.00 0.00 N ATOM 98 CA ARG A 8 0.615 -14.426 -9.928 1.00 0.00 C ATOM 99 C ARG A 8 0.991 -15.789 -9.355 1.00 0.00 C ATOM 100 O ARG A 8 0.813 -16.817 -10.006 1.00 0.00 O ATOM 101 CB ARG A 8 1.750 -13.899 -10.808 1.00 0.00 C ATOM 102 CG ARG A 8 1.763 -14.495 -12.206 1.00 0.00 C ATOM 103 CD ARG A 8 2.985 -14.046 -12.991 1.00 0.00 C ATOM 104 NE ARG A 8 2.903 -12.638 -13.374 1.00 0.00 N ATOM 105 CZ ARG A 8 3.945 -11.929 -13.794 1.00 0.00 C ATOM 106 NH1 ARG A 8 5.141 -12.493 -13.886 1.00 0.00 N ATOM 107 NH2 ARG A 8 3.791 -10.653 -14.124 1.00 0.00 N ATOM 0 H ARG A 8 1.051 -12.786 -8.696 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.282 -14.542 -10.536 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.665 -12.815 -10.885 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.703 -14.111 -10.323 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.752 -15.583 -12.139 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.859 -14.199 -12.738 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.881 -14.207 -12.391 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.087 -14.660 -13.886 1.00 0.00 H new ATOM 0 HE ARG A 8 1.996 -12.174 -13.316 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.263 -13.474 -13.634 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.939 -11.946 -14.209 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.872 -10.216 -14.055 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.592 -10.109 -14.446 1.00 0.00 H new ATOM 121 N ALA A 9 1.514 -15.787 -8.132 1.00 0.00 N ATOM 122 CA ALA A 9 1.914 -17.023 -7.471 1.00 0.00 C ATOM 123 C ALA A 9 0.696 -17.849 -7.070 1.00 0.00 C ATOM 124 O ALA A 9 0.767 -19.075 -6.986 1.00 0.00 O ATOM 125 CB ALA A 9 2.770 -16.715 -6.251 1.00 0.00 C ATOM 0 H ALA A 9 1.670 -14.944 -7.580 1.00 0.00 H new ATOM 0 HA ALA A 9 2.503 -17.610 -8.176 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.062 -17.647 -5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.663 -16.172 -6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.199 -16.105 -5.551 1.00 0.00 H new ATOM 131 N ARG A 10 -0.419 -17.170 -6.823 1.00 0.00 N ATOM 132 CA ARG A 10 -1.651 -17.842 -6.427 1.00 0.00 C ATOM 133 C ARG A 10 -2.314 -18.511 -7.627 1.00 0.00 C ATOM 134 O ARG A 10 -2.994 -19.527 -7.486 1.00 0.00 O ATOM 135 CB ARG A 10 -2.618 -16.844 -5.787 1.00 0.00 C ATOM 136 CG ARG A 10 -1.960 -15.926 -4.770 1.00 0.00 C ATOM 137 CD ARG A 10 -2.982 -15.033 -4.083 1.00 0.00 C ATOM 138 NE ARG A 10 -2.422 -14.358 -2.916 1.00 0.00 N ATOM 139 CZ ARG A 10 -3.138 -13.606 -2.088 1.00 0.00 C ATOM 140 NH1 ARG A 10 -4.436 -13.434 -2.298 1.00 0.00 N ATOM 141 NH2 ARG A 10 -2.557 -13.024 -1.047 1.00 0.00 N ATOM 0 H ARG A 10 -0.495 -16.155 -6.890 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.398 -18.611 -5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.073 -16.238 -6.571 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.424 -17.393 -5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.437 -16.524 -4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.211 -15.309 -5.266 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.348 -14.289 -4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.840 -15.632 -3.778 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.426 -14.470 -2.726 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.887 -13.880 -3.097 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.984 -12.856 -1.660 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.559 -13.154 -0.882 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.108 -12.447 -0.412 1.00 0.00 H new ATOM 155 N MET A 11 -2.113 -17.933 -8.807 1.00 0.00 N ATOM 156 CA MET A 11 -2.689 -18.475 -10.032 1.00 0.00 C ATOM 157 C MET A 11 -1.638 -19.229 -10.841 1.00 0.00 C ATOM 158 O MET A 11 -0.459 -19.243 -10.486 1.00 0.00 O ATOM 159 CB MET A 11 -3.292 -17.352 -10.877 1.00 0.00 C ATOM 160 CG MET A 11 -2.253 -16.430 -11.494 1.00 0.00 C ATOM 161 SD MET A 11 -2.852 -14.741 -11.692 1.00 0.00 S ATOM 162 CE MET A 11 -4.468 -15.038 -12.408 1.00 0.00 C ATOM 0 H MET A 11 -1.556 -17.089 -8.941 1.00 0.00 H new ATOM 0 HA MET A 11 -3.478 -19.175 -9.755 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.895 -17.791 -11.672 1.00 0.00 H new ATOM 0 HB3 MET A 11 -3.966 -16.762 -10.255 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.361 -16.424 -10.868 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.957 -16.823 -12.467 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.008 -14.095 -12.491 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.352 -15.478 -13.398 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.028 -15.722 -11.771 1.00 0.00 H new ATOM 172 N THR A 12 -2.073 -19.854 -11.930 1.00 0.00 N ATOM 173 CA THR A 12 -1.170 -20.610 -12.789 1.00 0.00 C ATOM 174 C THR A 12 -0.796 -19.811 -14.032 1.00 0.00 C ATOM 175 O THR A 12 -1.414 -18.791 -14.336 1.00 0.00 O ATOM 176 CB THR A 12 -1.796 -21.949 -13.222 1.00 0.00 C ATOM 177 OG1 THR A 12 -2.925 -21.711 -14.069 1.00 0.00 O ATOM 178 CG2 THR A 12 -2.227 -22.762 -12.011 1.00 0.00 C ATOM 0 H THR A 12 -3.045 -19.852 -12.238 1.00 0.00 H new ATOM 0 HA THR A 12 -0.272 -20.810 -12.205 1.00 0.00 H new ATOM 0 HB THR A 12 -1.044 -22.515 -13.771 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.316 -22.567 -14.341 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.666 -23.703 -12.342 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.360 -22.967 -11.383 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.964 -22.199 -11.439 1.00 0.00 H new ATOM 186 N HIS A 13 0.220 -20.282 -14.749 1.00 0.00 N ATOM 187 CA HIS A 13 0.677 -19.611 -15.961 1.00 0.00 C ATOM 188 C HIS A 13 -0.472 -19.435 -16.950 1.00 0.00 C ATOM 189 O HIS A 13 -0.644 -18.366 -17.535 1.00 0.00 O ATOM 190 CB HIS A 13 1.810 -20.404 -16.612 1.00 0.00 C ATOM 191 CG HIS A 13 3.144 -20.182 -15.967 1.00 0.00 C ATOM 192 ND1 HIS A 13 4.338 -20.486 -16.586 1.00 0.00 N ATOM 193 CD2 HIS A 13 3.467 -19.683 -14.752 1.00 0.00 C ATOM 194 CE1 HIS A 13 5.339 -20.184 -15.778 1.00 0.00 C ATOM 195 NE2 HIS A 13 4.837 -19.694 -14.658 1.00 0.00 N ATOM 0 H HIS A 13 0.742 -21.125 -14.512 1.00 0.00 H new ATOM 0 HA HIS A 13 1.048 -18.624 -15.683 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.569 -21.466 -16.572 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.875 -20.131 -17.665 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.776 -19.340 -13.996 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.389 -20.315 -15.996 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.379 -19.376 -13.855 1.00 0.00 H new ATOM 203 N LYS A 14 -1.255 -20.493 -17.132 1.00 0.00 N ATOM 204 CA LYS A 14 -2.388 -20.457 -18.050 1.00 0.00 C ATOM 205 C LYS A 14 -3.458 -19.489 -17.556 1.00 0.00 C ATOM 206 O LYS A 14 -4.090 -18.791 -18.348 1.00 0.00 O ATOM 207 CB LYS A 14 -2.986 -21.857 -18.210 1.00 0.00 C ATOM 208 CG LYS A 14 -4.250 -21.886 -19.050 1.00 0.00 C ATOM 209 CD LYS A 14 -4.625 -23.304 -19.445 1.00 0.00 C ATOM 210 CE LYS A 14 -6.050 -23.378 -19.972 1.00 0.00 C ATOM 211 NZ LYS A 14 -6.141 -22.932 -21.390 1.00 0.00 N ATOM 0 H LYS A 14 -1.126 -21.386 -16.656 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.028 -20.110 -19.018 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.242 -22.511 -18.665 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.206 -22.264 -17.223 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.070 -21.434 -18.491 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.106 -21.284 -19.947 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.935 -23.665 -20.208 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.520 -23.963 -18.583 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.415 -24.402 -19.889 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.699 -22.757 -19.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.128 -22.997 -21.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.817 -21.947 -21.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.542 -23.540 -21.984 1.00 0.00 H new ATOM 225 N GLU A 15 -3.655 -19.452 -16.242 1.00 0.00 N ATOM 226 CA GLU A 15 -4.648 -18.568 -15.643 1.00 0.00 C ATOM 227 C GLU A 15 -4.273 -17.104 -15.857 1.00 0.00 C ATOM 228 O GLU A 15 -5.123 -16.275 -16.181 1.00 0.00 O ATOM 229 CB GLU A 15 -4.785 -18.857 -14.147 1.00 0.00 C ATOM 230 CG GLU A 15 -6.009 -18.218 -13.513 1.00 0.00 C ATOM 231 CD GLU A 15 -6.438 -18.916 -12.237 1.00 0.00 C ATOM 232 OE1 GLU A 15 -6.299 -20.155 -12.163 1.00 0.00 O ATOM 233 OE2 GLU A 15 -6.913 -18.224 -11.313 1.00 0.00 O ATOM 0 H GLU A 15 -3.140 -20.024 -15.572 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.605 -18.755 -16.131 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.830 -19.936 -13.997 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.892 -18.500 -13.633 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.796 -17.171 -13.296 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.833 -18.234 -14.226 1.00 0.00 H new ATOM 240 N PHE A 16 -2.994 -16.795 -15.674 1.00 0.00 N ATOM 241 CA PHE A 16 -2.505 -15.431 -15.845 1.00 0.00 C ATOM 242 C PHE A 16 -2.708 -14.958 -17.282 1.00 0.00 C ATOM 243 O PHE A 16 -2.954 -13.778 -17.528 1.00 0.00 O ATOM 244 CB PHE A 16 -1.024 -15.348 -15.472 1.00 0.00 C ATOM 245 CG PHE A 16 -0.412 -14.003 -15.744 1.00 0.00 C ATOM 246 CD1 PHE A 16 -0.631 -12.941 -14.882 1.00 0.00 C ATOM 247 CD2 PHE A 16 0.381 -13.801 -16.862 1.00 0.00 C ATOM 248 CE1 PHE A 16 -0.070 -11.702 -15.128 1.00 0.00 C ATOM 249 CE2 PHE A 16 0.945 -12.564 -17.114 1.00 0.00 C ATOM 250 CZ PHE A 16 0.718 -11.513 -16.246 1.00 0.00 C ATOM 0 H PHE A 16 -2.277 -17.470 -15.407 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.076 -14.780 -15.183 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.910 -15.583 -14.414 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.474 -16.108 -16.028 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.248 -13.083 -14.007 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.561 -14.619 -17.544 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.248 -10.883 -14.447 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.562 -12.419 -17.988 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.156 -10.545 -16.442 1.00 0.00 H new ATOM 260 N ASN A 17 -2.601 -15.888 -18.225 1.00 0.00 N ATOM 261 CA ASN A 17 -2.771 -15.566 -19.638 1.00 0.00 C ATOM 262 C ASN A 17 -4.229 -15.246 -19.951 1.00 0.00 C ATOM 263 O ASN A 17 -4.526 -14.294 -20.674 1.00 0.00 O ATOM 264 CB ASN A 17 -2.294 -16.730 -20.508 1.00 0.00 C ATOM 265 CG ASN A 17 -2.364 -16.411 -21.989 1.00 0.00 C ATOM 266 OD1 ASN A 17 -1.590 -15.600 -22.498 1.00 0.00 O ATOM 267 ND2 ASN A 17 -3.294 -17.051 -22.689 1.00 0.00 N ATOM 0 H ASN A 17 -2.398 -16.870 -18.037 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.169 -14.685 -19.860 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.268 -16.982 -20.242 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.903 -17.610 -20.299 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.388 -16.878 -23.690 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.914 -17.715 -22.226 1.00 0.00 H new ATOM 274 N TYR A 18 -5.136 -16.047 -19.402 1.00 0.00 N ATOM 275 CA TYR A 18 -6.563 -15.851 -19.624 1.00 0.00 C ATOM 276 C TYR A 18 -7.011 -14.484 -19.117 1.00 0.00 C ATOM 277 O TYR A 18 -7.591 -13.692 -19.861 1.00 0.00 O ATOM 278 CB TYR A 18 -7.365 -16.953 -18.929 1.00 0.00 C ATOM 279 CG TYR A 18 -8.860 -16.726 -18.961 1.00 0.00 C ATOM 280 CD1 TYR A 18 -9.493 -15.997 -17.962 1.00 0.00 C ATOM 281 CD2 TYR A 18 -9.638 -17.242 -19.990 1.00 0.00 C ATOM 282 CE1 TYR A 18 -10.859 -15.788 -17.987 1.00 0.00 C ATOM 283 CE2 TYR A 18 -11.004 -17.037 -20.024 1.00 0.00 C ATOM 284 CZ TYR A 18 -11.609 -16.310 -19.020 1.00 0.00 C ATOM 285 OH TYR A 18 -12.970 -16.104 -19.049 1.00 0.00 O ATOM 0 H TYR A 18 -4.908 -16.838 -18.800 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.747 -15.898 -20.697 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -7.141 -17.908 -19.404 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -7.040 -17.028 -17.891 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.908 -15.587 -17.152 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -9.167 -17.813 -20.777 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.336 -15.219 -17.202 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.594 -17.444 -20.832 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.165 -15.174 -18.808 1.00 0.00 H new ATOM 295 N LYS A 19 -6.737 -14.213 -17.846 1.00 0.00 N ATOM 296 CA LYS A 19 -7.109 -12.941 -17.236 1.00 0.00 C ATOM 297 C LYS A 19 -6.559 -11.770 -18.044 1.00 0.00 C ATOM 298 O LYS A 19 -7.296 -10.851 -18.403 1.00 0.00 O ATOM 299 CB LYS A 19 -6.591 -12.871 -15.798 1.00 0.00 C ATOM 300 CG LYS A 19 -7.104 -13.992 -14.911 1.00 0.00 C ATOM 301 CD LYS A 19 -8.591 -13.847 -14.632 1.00 0.00 C ATOM 302 CE LYS A 19 -9.018 -14.686 -13.438 1.00 0.00 C ATOM 303 NZ LYS A 19 -10.482 -14.584 -13.184 1.00 0.00 N ATOM 0 H LYS A 19 -6.258 -14.858 -17.217 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.197 -12.874 -17.227 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.501 -12.900 -15.812 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.879 -11.914 -15.363 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.915 -14.952 -15.391 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.555 -13.993 -13.970 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.827 -12.799 -14.445 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.159 -14.149 -15.512 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.751 -15.728 -13.613 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.472 -14.361 -12.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.733 -15.170 -12.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.733 -13.593 -12.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.003 -14.918 -14.020 1.00 0.00 H new ATOM 317 N SER A 20 -5.261 -11.809 -18.327 1.00 0.00 N ATOM 318 CA SER A 20 -4.613 -10.750 -19.091 1.00 0.00 C ATOM 319 C SER A 20 -5.262 -10.594 -20.463 1.00 0.00 C ATOM 320 O SER A 20 -5.457 -9.480 -20.946 1.00 0.00 O ATOM 321 CB SER A 20 -3.121 -11.047 -19.251 1.00 0.00 C ATOM 322 OG SER A 20 -2.456 -11.010 -18.000 1.00 0.00 O ATOM 0 H SER A 20 -4.637 -12.563 -18.039 1.00 0.00 H new ATOM 0 HA SER A 20 -4.733 -9.815 -18.543 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.989 -12.028 -19.707 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.672 -10.318 -19.926 1.00 0.00 H new ATOM 0 HG SER A 20 -2.482 -11.899 -17.589 1.00 0.00 H new ATOM 328 N ASN A 21 -5.595 -11.720 -21.085 1.00 0.00 N ATOM 329 CA ASN A 21 -6.221 -11.710 -22.401 1.00 0.00 C ATOM 330 C ASN A 21 -7.493 -10.868 -22.392 1.00 0.00 C ATOM 331 O ASN A 21 -7.694 -10.018 -23.260 1.00 0.00 O ATOM 332 CB ASN A 21 -6.546 -13.138 -22.846 1.00 0.00 C ATOM 333 CG ASN A 21 -7.165 -13.186 -24.229 1.00 0.00 C ATOM 334 OD1 ASN A 21 -7.335 -12.156 -24.882 1.00 0.00 O ATOM 335 ND2 ASN A 21 -7.507 -14.387 -24.683 1.00 0.00 N ATOM 0 H ASN A 21 -5.442 -12.651 -20.698 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.518 -11.268 -23.106 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.634 -13.734 -22.838 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.230 -13.592 -22.129 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.929 -14.482 -25.607 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.348 -15.214 -24.108 1.00 0.00 H new ATOM 342 N VAL A 22 -8.349 -11.108 -21.404 1.00 0.00 N ATOM 343 CA VAL A 22 -9.601 -10.371 -21.281 1.00 0.00 C ATOM 344 C VAL A 22 -9.348 -8.922 -20.881 1.00 0.00 C ATOM 345 O VAL A 22 -10.062 -8.015 -21.310 1.00 0.00 O ATOM 346 CB VAL A 22 -10.536 -11.022 -20.244 1.00 0.00 C ATOM 347 CG1 VAL A 22 -11.878 -10.307 -20.211 1.00 0.00 C ATOM 348 CG2 VAL A 22 -10.718 -12.502 -20.546 1.00 0.00 C ATOM 0 H VAL A 22 -8.198 -11.807 -20.677 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.081 -10.397 -22.259 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.078 -10.929 -19.259 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.525 -10.781 -19.473 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.727 -9.261 -19.943 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.346 -10.365 -21.194 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.381 -12.946 -19.804 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.153 -12.620 -21.538 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.750 -13.002 -20.513 1.00 0.00 H new ATOM 358 N CYS A 23 -8.327 -8.710 -20.057 1.00 0.00 N ATOM 359 CA CYS A 23 -7.978 -7.371 -19.600 1.00 0.00 C ATOM 360 C CYS A 23 -7.779 -6.427 -20.782 1.00 0.00 C ATOM 361 O CYS A 23 -8.294 -5.310 -20.791 1.00 0.00 O ATOM 362 CB CYS A 23 -6.708 -7.415 -18.749 1.00 0.00 C ATOM 363 SG CYS A 23 -6.988 -7.917 -17.020 1.00 0.00 S ATOM 0 H CYS A 23 -7.727 -9.450 -19.692 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.802 -6.995 -18.993 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.001 -8.106 -19.207 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.242 -6.429 -18.759 1.00 0.00 H new ATOM 368 N ASN A 24 -7.028 -6.886 -21.778 1.00 0.00 N ATOM 369 CA ASN A 24 -6.760 -6.083 -22.966 1.00 0.00 C ATOM 370 C ASN A 24 -8.049 -5.797 -23.731 1.00 0.00 C ATOM 371 O ASN A 24 -8.093 -4.912 -24.584 1.00 0.00 O ATOM 372 CB ASN A 24 -5.761 -6.799 -23.877 1.00 0.00 C ATOM 373 CG ASN A 24 -5.583 -6.094 -25.207 1.00 0.00 C ATOM 374 OD1 ASN A 24 -4.771 -5.176 -25.333 1.00 0.00 O ATOM 375 ND2 ASN A 24 -6.343 -6.520 -26.209 1.00 0.00 N ATOM 0 H ASN A 24 -6.594 -7.809 -21.786 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.331 -5.134 -22.644 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.797 -6.866 -23.373 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.101 -7.820 -24.053 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.267 -6.084 -27.128 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.002 -7.284 -26.060 1.00 0.00 H new ATOM 382 N GLY A 25 -9.096 -6.555 -23.419 1.00 0.00 N ATOM 383 CA GLY A 25 -10.372 -6.366 -24.084 1.00 0.00 C ATOM 384 C GLY A 25 -11.245 -5.344 -23.384 1.00 0.00 C ATOM 385 O GLY A 25 -12.009 -4.623 -24.027 1.00 0.00 O ATOM 0 H GLY A 25 -9.083 -7.296 -22.718 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.199 -6.048 -25.112 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.899 -7.319 -24.130 1.00 0.00 H new ATOM 389 N CYS A 26 -11.135 -5.281 -22.061 1.00 0.00 N ATOM 390 CA CYS A 26 -11.921 -4.341 -21.272 1.00 0.00 C ATOM 391 C CYS A 26 -11.824 -2.931 -21.848 1.00 0.00 C ATOM 392 O CYS A 26 -12.752 -2.134 -21.727 1.00 0.00 O ATOM 393 CB CYS A 26 -11.447 -4.343 -19.817 1.00 0.00 C ATOM 394 SG CYS A 26 -12.288 -3.121 -18.759 1.00 0.00 S ATOM 0 H CYS A 26 -10.509 -5.871 -21.513 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.963 -4.658 -21.309 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.600 -5.337 -19.398 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.375 -4.150 -19.795 1.00 0.00 H new ATOM 399 N GLY A 27 -10.691 -2.632 -22.477 1.00 0.00 N ATOM 400 CA GLY A 27 -10.492 -1.320 -23.064 1.00 0.00 C ATOM 401 C GLY A 27 -9.151 -0.717 -22.694 1.00 0.00 C ATOM 402 O GLY A 27 -8.131 -1.405 -22.702 1.00 0.00 O ATOM 0 H GLY A 27 -9.908 -3.275 -22.590 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.566 -1.396 -24.149 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.290 -0.654 -22.736 1.00 0.00 H new ATOM 406 N ASP A 28 -9.153 0.572 -22.372 1.00 0.00 N ATOM 407 CA ASP A 28 -7.927 1.267 -21.998 1.00 0.00 C ATOM 408 C ASP A 28 -7.753 1.285 -20.482 1.00 0.00 C ATOM 409 O ASP A 28 -7.081 2.159 -19.935 1.00 0.00 O ATOM 410 CB ASP A 28 -7.941 2.698 -22.538 1.00 0.00 C ATOM 411 CG ASP A 28 -8.409 2.768 -23.979 1.00 0.00 C ATOM 412 OD1 ASP A 28 -7.575 2.557 -24.884 1.00 0.00 O ATOM 413 OD2 ASP A 28 -9.609 3.034 -24.201 1.00 0.00 O ATOM 0 H ASP A 28 -9.989 1.156 -22.362 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.086 0.729 -22.436 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.594 3.311 -21.917 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.939 3.121 -22.463 1.00 0.00 H new ATOM 418 N GLN A 29 -8.365 0.314 -19.810 1.00 0.00 N ATOM 419 CA GLN A 29 -8.279 0.220 -18.358 1.00 0.00 C ATOM 420 C GLN A 29 -7.442 -0.984 -17.939 1.00 0.00 C ATOM 421 O GLN A 29 -7.619 -1.527 -16.848 1.00 0.00 O ATOM 422 CB GLN A 29 -9.679 0.120 -17.749 1.00 0.00 C ATOM 423 CG GLN A 29 -10.296 1.470 -17.419 1.00 0.00 C ATOM 424 CD GLN A 29 -10.973 2.110 -18.614 1.00 0.00 C ATOM 425 OE1 GLN A 29 -10.518 3.133 -19.126 1.00 0.00 O ATOM 426 NE2 GLN A 29 -12.068 1.509 -19.066 1.00 0.00 N ATOM 0 H GLN A 29 -8.925 -0.417 -20.248 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.793 1.123 -17.988 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.332 -0.409 -18.444 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.629 -0.479 -16.840 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.024 1.346 -16.617 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.520 2.138 -17.045 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.410 0.663 -18.611 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.567 1.894 -19.868 1.00 0.00 H new ATOM 435 N VAL A 30 -6.531 -1.398 -18.813 1.00 0.00 N ATOM 436 CA VAL A 30 -5.665 -2.538 -18.534 1.00 0.00 C ATOM 437 C VAL A 30 -5.008 -2.406 -17.165 1.00 0.00 C ATOM 438 O VAL A 30 -5.072 -3.320 -16.343 1.00 0.00 O ATOM 439 CB VAL A 30 -4.568 -2.686 -19.605 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.628 -3.828 -19.253 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.190 -2.899 -20.977 1.00 0.00 C ATOM 0 H VAL A 30 -6.373 -0.961 -19.721 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.297 -3.426 -18.547 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.986 -1.765 -19.634 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.860 -3.917 -20.021 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.157 -3.628 -18.290 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.192 -4.759 -19.195 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.401 -3.002 -21.722 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.797 -3.804 -20.965 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.818 -2.044 -21.229 1.00 0.00 H new ATOM 451 N ALA A 31 -4.376 -1.261 -16.925 1.00 0.00 N ATOM 452 CA ALA A 31 -3.708 -1.008 -15.655 1.00 0.00 C ATOM 453 C ALA A 31 -4.644 -1.274 -14.480 1.00 0.00 C ATOM 454 O ALA A 31 -4.252 -1.889 -13.489 1.00 0.00 O ATOM 455 CB ALA A 31 -3.191 0.422 -15.606 1.00 0.00 C ATOM 0 H ALA A 31 -4.313 -0.494 -17.594 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.863 -1.691 -15.575 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.694 0.597 -14.652 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.482 0.581 -16.419 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.026 1.115 -15.713 1.00 0.00 H new ATOM 461 N ALA A 32 -5.882 -0.807 -14.599 1.00 0.00 N ATOM 462 CA ALA A 32 -6.874 -0.995 -13.547 1.00 0.00 C ATOM 463 C ALA A 32 -7.282 -2.460 -13.433 1.00 0.00 C ATOM 464 O ALA A 32 -7.512 -2.968 -12.335 1.00 0.00 O ATOM 465 CB ALA A 32 -8.093 -0.124 -13.809 1.00 0.00 C ATOM 0 H ALA A 32 -6.222 -0.296 -15.413 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.425 -0.696 -12.600 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.825 -0.275 -13.016 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.793 0.924 -13.832 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.535 -0.396 -14.767 1.00 0.00 H new ATOM 471 N CYS A 33 -7.372 -3.135 -14.574 1.00 0.00 N ATOM 472 CA CYS A 33 -7.754 -4.541 -14.604 1.00 0.00 C ATOM 473 C CYS A 33 -6.817 -5.378 -13.738 1.00 0.00 C ATOM 474 O CYS A 33 -7.253 -6.286 -13.032 1.00 0.00 O ATOM 475 CB CYS A 33 -7.742 -5.065 -16.042 1.00 0.00 C ATOM 476 SG CYS A 33 -8.382 -6.761 -16.221 1.00 0.00 S ATOM 0 H CYS A 33 -7.185 -2.730 -15.491 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.764 -4.625 -14.203 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -8.335 -4.397 -16.666 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.721 -5.032 -16.421 1.00 0.00 H new ATOM 481 N GLU A 34 -5.526 -5.064 -13.799 1.00 0.00 N ATOM 482 CA GLU A 34 -4.527 -5.787 -13.021 1.00 0.00 C ATOM 483 C GLU A 34 -4.225 -5.061 -11.714 1.00 0.00 C ATOM 484 O GLU A 34 -3.547 -5.595 -10.837 1.00 0.00 O ATOM 485 CB GLU A 34 -3.241 -5.956 -13.833 1.00 0.00 C ATOM 486 CG GLU A 34 -3.480 -6.384 -15.271 1.00 0.00 C ATOM 487 CD GLU A 34 -2.518 -7.464 -15.726 1.00 0.00 C ATOM 488 OE1 GLU A 34 -1.425 -7.573 -15.131 1.00 0.00 O ATOM 489 OE2 GLU A 34 -2.857 -8.200 -16.676 1.00 0.00 O ATOM 0 H GLU A 34 -5.148 -4.315 -14.379 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.931 -6.771 -12.784 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.693 -5.014 -13.830 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.607 -6.695 -13.344 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.503 -6.747 -15.373 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.383 -5.517 -15.925 1.00 0.00 H new ATOM 496 N ALA A 35 -4.733 -3.839 -11.592 1.00 0.00 N ATOM 497 CA ALA A 35 -4.520 -3.040 -10.392 1.00 0.00 C ATOM 498 C ALA A 35 -4.868 -3.831 -9.136 1.00 0.00 C ATOM 499 O ALA A 35 -4.130 -3.807 -8.152 1.00 0.00 O ATOM 500 CB ALA A 35 -5.343 -1.761 -10.456 1.00 0.00 C ATOM 0 H ALA A 35 -5.295 -3.381 -12.310 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.463 -2.778 -10.344 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.174 -1.174 -9.553 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.044 -1.179 -11.328 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.401 -2.012 -10.533 1.00 0.00 H new ATOM 506 N GLU A 36 -5.998 -4.531 -9.177 1.00 0.00 N ATOM 507 CA GLU A 36 -6.443 -5.329 -8.040 1.00 0.00 C ATOM 508 C GLU A 36 -6.321 -6.820 -8.341 1.00 0.00 C ATOM 509 O GLU A 36 -7.088 -7.634 -7.825 1.00 0.00 O ATOM 510 CB GLU A 36 -7.891 -4.986 -7.684 1.00 0.00 C ATOM 511 CG GLU A 36 -8.188 -3.496 -7.712 1.00 0.00 C ATOM 512 CD GLU A 36 -7.359 -2.717 -6.710 1.00 0.00 C ATOM 513 OE1 GLU A 36 -7.447 -3.020 -5.502 1.00 0.00 O ATOM 514 OE2 GLU A 36 -6.621 -1.803 -7.135 1.00 0.00 O ATOM 0 H GLU A 36 -6.621 -4.562 -9.984 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.802 -5.094 -7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.558 -5.494 -8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.114 -5.374 -6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.998 -3.110 -8.713 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.246 -3.336 -7.505 1.00 0.00 H new ATOM 521 N CYS A 37 -5.351 -7.171 -9.179 1.00 0.00 N ATOM 522 CA CYS A 37 -5.128 -8.563 -9.550 1.00 0.00 C ATOM 523 C CYS A 37 -6.384 -9.170 -10.168 1.00 0.00 C ATOM 524 O CYS A 37 -6.829 -10.246 -9.766 1.00 0.00 O ATOM 525 CB CYS A 37 -4.703 -9.377 -8.327 1.00 0.00 C ATOM 526 SG CYS A 37 -3.283 -8.678 -7.424 1.00 0.00 S ATOM 0 H CYS A 37 -4.707 -6.510 -9.614 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.330 -8.591 -10.292 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.550 -9.457 -7.645 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.454 -10.389 -8.646 1.00 0.00 H new ATOM 531 N PHE A 38 -6.952 -8.474 -11.147 1.00 0.00 N ATOM 532 CA PHE A 38 -8.158 -8.942 -11.818 1.00 0.00 C ATOM 533 C PHE A 38 -9.332 -9.008 -10.845 1.00 0.00 C ATOM 534 O PHE A 38 -10.321 -9.697 -11.095 1.00 0.00 O ATOM 535 CB PHE A 38 -7.919 -10.319 -12.441 1.00 0.00 C ATOM 536 CG PHE A 38 -6.618 -10.423 -13.184 1.00 0.00 C ATOM 537 CD1 PHE A 38 -6.228 -9.430 -14.068 1.00 0.00 C ATOM 538 CD2 PHE A 38 -5.784 -11.514 -12.998 1.00 0.00 C ATOM 539 CE1 PHE A 38 -5.031 -9.523 -14.753 1.00 0.00 C ATOM 540 CE2 PHE A 38 -4.586 -11.612 -13.680 1.00 0.00 C ATOM 541 CZ PHE A 38 -4.210 -10.616 -14.559 1.00 0.00 C ATOM 0 H PHE A 38 -6.596 -7.583 -11.493 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.403 -8.231 -12.607 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.940 -11.073 -11.655 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.737 -10.547 -13.124 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.867 -8.573 -14.224 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.074 -12.297 -12.312 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.738 -8.742 -15.439 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.944 -12.467 -13.525 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.275 -10.692 -15.094 1.00 0.00 H new ATOM 551 N ARG A 39 -9.213 -8.287 -9.735 1.00 0.00 N ATOM 552 CA ARG A 39 -10.263 -8.265 -8.723 1.00 0.00 C ATOM 553 C ARG A 39 -10.794 -6.849 -8.522 1.00 0.00 C ATOM 554 O ARG A 39 -10.531 -6.215 -7.501 1.00 0.00 O ATOM 555 CB ARG A 39 -9.734 -8.815 -7.397 1.00 0.00 C ATOM 556 CG ARG A 39 -8.877 -10.061 -7.553 1.00 0.00 C ATOM 557 CD ARG A 39 -9.172 -11.081 -6.464 1.00 0.00 C ATOM 558 NE ARG A 39 -8.134 -12.104 -6.377 1.00 0.00 N ATOM 559 CZ ARG A 39 -8.059 -13.146 -7.197 1.00 0.00 C ATOM 560 NH1 ARG A 39 -8.955 -13.302 -8.161 1.00 0.00 N ATOM 561 NH2 ARG A 39 -7.084 -14.035 -7.053 1.00 0.00 N ATOM 0 H ARG A 39 -8.401 -7.711 -9.514 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.081 -8.896 -9.070 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.148 -8.041 -6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.578 -9.044 -6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.058 -10.508 -8.530 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.823 -9.785 -7.519 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.260 -10.572 -5.504 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.133 -11.556 -6.662 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.428 -12.013 -5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.705 -12.621 -8.275 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.894 -14.104 -8.789 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.392 -13.918 -6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.026 -14.835 -7.683 1.00 0.00 H new ATOM 575 N ASN A 40 -11.544 -6.359 -9.505 1.00 0.00 N ATOM 576 CA ASN A 40 -12.112 -5.017 -9.436 1.00 0.00 C ATOM 577 C ASN A 40 -13.365 -4.913 -10.300 1.00 0.00 C ATOM 578 O ASN A 40 -13.631 -5.778 -11.134 1.00 0.00 O ATOM 579 CB ASN A 40 -11.080 -3.981 -9.887 1.00 0.00 C ATOM 580 CG ASN A 40 -10.390 -4.376 -11.178 1.00 0.00 C ATOM 581 OD1 ASN A 40 -10.986 -4.326 -12.254 1.00 0.00 O ATOM 582 ND2 ASN A 40 -9.127 -4.772 -11.076 1.00 0.00 N ATOM 0 H ASN A 40 -11.772 -6.871 -10.357 1.00 0.00 H new ATOM 0 HA ASN A 40 -12.388 -4.818 -8.401 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.571 -3.017 -10.021 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.333 -3.852 -9.104 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.611 -5.050 -11.911 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.673 -4.798 -10.163 1.00 0.00 H new ATOM 589 N ASP A 41 -14.131 -3.847 -10.094 1.00 0.00 N ATOM 590 CA ASP A 41 -15.357 -3.628 -10.854 1.00 0.00 C ATOM 591 C ASP A 41 -15.049 -3.424 -12.334 1.00 0.00 C ATOM 592 O ASP A 41 -15.817 -3.840 -13.202 1.00 0.00 O ATOM 593 CB ASP A 41 -16.112 -2.416 -10.306 1.00 0.00 C ATOM 594 CG ASP A 41 -17.616 -2.602 -10.352 1.00 0.00 C ATOM 595 OD1 ASP A 41 -18.213 -2.340 -11.417 1.00 0.00 O ATOM 596 OD2 ASP A 41 -18.196 -3.009 -9.323 1.00 0.00 O ATOM 0 H ASP A 41 -13.925 -3.121 -9.408 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.983 -4.514 -10.750 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.803 -2.234 -9.277 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.840 -1.531 -10.882 1.00 0.00 H new ATOM 601 N VAL A 42 -13.920 -2.781 -12.616 1.00 0.00 N ATOM 602 CA VAL A 42 -13.511 -2.521 -13.991 1.00 0.00 C ATOM 603 C VAL A 42 -13.463 -3.810 -14.803 1.00 0.00 C ATOM 604 O VAL A 42 -14.026 -3.890 -15.895 1.00 0.00 O ATOM 605 CB VAL A 42 -12.130 -1.840 -14.046 1.00 0.00 C ATOM 606 CG1 VAL A 42 -11.605 -1.814 -15.474 1.00 0.00 C ATOM 607 CG2 VAL A 42 -12.206 -0.434 -13.471 1.00 0.00 C ATOM 0 H VAL A 42 -13.272 -2.431 -11.910 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.255 -1.852 -14.422 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.434 -2.418 -13.439 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.629 -1.329 -15.494 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.511 -2.834 -15.846 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.298 -1.260 -16.106 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.222 0.032 -13.518 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.916 0.158 -14.049 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.535 -0.483 -12.433 1.00 0.00 H new ATOM 617 N TYR A 43 -12.788 -4.818 -14.262 1.00 0.00 N ATOM 618 CA TYR A 43 -12.664 -6.105 -14.937 1.00 0.00 C ATOM 619 C TYR A 43 -13.956 -6.908 -14.819 1.00 0.00 C ATOM 620 O TYR A 43 -14.411 -7.522 -15.785 1.00 0.00 O ATOM 621 CB TYR A 43 -11.499 -6.903 -14.350 1.00 0.00 C ATOM 622 CG TYR A 43 -11.387 -8.306 -14.902 1.00 0.00 C ATOM 623 CD1 TYR A 43 -11.243 -8.529 -16.265 1.00 0.00 C ATOM 624 CD2 TYR A 43 -11.426 -9.410 -14.058 1.00 0.00 C ATOM 625 CE1 TYR A 43 -11.141 -9.809 -16.773 1.00 0.00 C ATOM 626 CE2 TYR A 43 -11.323 -10.694 -14.557 1.00 0.00 C ATOM 627 CZ TYR A 43 -11.182 -10.889 -15.916 1.00 0.00 C ATOM 628 OH TYR A 43 -11.080 -12.166 -16.418 1.00 0.00 O ATOM 0 H TYR A 43 -12.318 -4.769 -13.358 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.470 -5.916 -15.993 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.569 -6.369 -14.546 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -11.615 -6.956 -13.267 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.210 -7.686 -16.940 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.539 -9.261 -12.994 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -11.030 -9.964 -17.836 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.353 -11.541 -13.887 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.126 -12.811 -15.682 1.00 0.00 H new ATOM 638 N THR A 44 -14.544 -6.899 -13.627 1.00 0.00 N ATOM 639 CA THR A 44 -15.783 -7.626 -13.380 1.00 0.00 C ATOM 640 C THR A 44 -16.885 -7.173 -14.330 1.00 0.00 C ATOM 641 O THR A 44 -17.737 -7.966 -14.730 1.00 0.00 O ATOM 642 CB THR A 44 -16.263 -7.440 -11.928 1.00 0.00 C ATOM 643 OG1 THR A 44 -15.266 -7.914 -11.017 1.00 0.00 O ATOM 644 CG2 THR A 44 -17.569 -8.184 -11.691 1.00 0.00 C ATOM 0 H THR A 44 -14.182 -6.396 -12.817 1.00 0.00 H new ATOM 0 HA THR A 44 -15.570 -8.681 -13.552 1.00 0.00 H new ATOM 0 HB THR A 44 -16.432 -6.377 -11.758 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.557 -7.243 -10.929 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.889 -8.038 -10.659 1.00 0.00 H new ATOM 0 HG22 THR A 44 -18.334 -7.800 -12.366 1.00 0.00 H new ATOM 0 HG23 THR A 44 -17.421 -9.248 -11.878 1.00 0.00 H new ATOM 652 N ALA A 45 -16.863 -5.894 -14.688 1.00 0.00 N ATOM 653 CA ALA A 45 -17.860 -5.336 -15.594 1.00 0.00 C ATOM 654 C ALA A 45 -17.555 -5.708 -17.041 1.00 0.00 C ATOM 655 O ALA A 45 -18.420 -6.214 -17.758 1.00 0.00 O ATOM 656 CB ALA A 45 -17.928 -3.824 -15.438 1.00 0.00 C ATOM 0 H ALA A 45 -16.165 -5.224 -14.365 1.00 0.00 H new ATOM 0 HA ALA A 45 -18.830 -5.760 -15.334 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.676 -3.421 -16.120 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.201 -3.576 -14.412 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -16.955 -3.390 -15.669 1.00 0.00 H new ATOM 662 N CYS A 46 -16.322 -5.453 -17.466 1.00 0.00 N ATOM 663 CA CYS A 46 -15.904 -5.759 -18.828 1.00 0.00 C ATOM 664 C CYS A 46 -16.024 -7.254 -19.111 1.00 0.00 C ATOM 665 O CYS A 46 -16.666 -7.664 -20.078 1.00 0.00 O ATOM 666 CB CYS A 46 -14.462 -5.300 -19.056 1.00 0.00 C ATOM 667 SG CYS A 46 -14.232 -3.496 -18.955 1.00 0.00 S ATOM 0 H CYS A 46 -15.595 -5.035 -16.886 1.00 0.00 H new ATOM 0 HA CYS A 46 -16.562 -5.223 -19.513 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -13.818 -5.780 -18.319 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -14.133 -5.643 -20.037 1.00 0.00 H new ATOM 672 N HIS A 47 -15.400 -8.064 -18.261 1.00 0.00 N ATOM 673 CA HIS A 47 -15.438 -9.513 -18.419 1.00 0.00 C ATOM 674 C HIS A 47 -16.874 -10.006 -18.573 1.00 0.00 C ATOM 675 O HIS A 47 -17.172 -10.810 -19.455 1.00 0.00 O ATOM 676 CB HIS A 47 -14.778 -10.195 -17.220 1.00 0.00 C ATOM 677 CG HIS A 47 -14.575 -11.667 -17.405 1.00 0.00 C ATOM 678 ND1 HIS A 47 -14.579 -12.565 -16.358 1.00 0.00 N ATOM 679 CD2 HIS A 47 -14.364 -12.398 -18.525 1.00 0.00 C ATOM 680 CE1 HIS A 47 -14.377 -13.784 -16.826 1.00 0.00 C ATOM 681 NE2 HIS A 47 -14.244 -13.710 -18.138 1.00 0.00 N ATOM 0 H HIS A 47 -14.862 -7.741 -17.456 1.00 0.00 H new ATOM 0 HA HIS A 47 -14.886 -9.770 -19.323 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.813 -9.725 -17.031 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -15.392 -10.030 -16.335 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -14.716 -12.325 -15.376 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.302 -12.020 -19.535 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -14.329 -14.687 -16.236 1.00 0.00 H new ATOM 689 N GLU A 48 -17.758 -9.518 -17.708 1.00 0.00 N ATOM 690 CA GLU A 48 -19.161 -9.911 -17.748 1.00 0.00 C ATOM 691 C GLU A 48 -19.829 -9.416 -19.027 1.00 0.00 C ATOM 692 O GLU A 48 -20.801 -10.005 -19.501 1.00 0.00 O ATOM 693 CB GLU A 48 -19.903 -9.362 -16.527 1.00 0.00 C ATOM 694 CG GLU A 48 -19.802 -10.254 -15.301 1.00 0.00 C ATOM 695 CD GLU A 48 -20.270 -11.671 -15.570 1.00 0.00 C ATOM 696 OE1 GLU A 48 -21.388 -11.835 -16.101 1.00 0.00 O ATOM 697 OE2 GLU A 48 -19.518 -12.615 -15.251 1.00 0.00 O ATOM 0 H GLU A 48 -17.527 -8.851 -16.972 1.00 0.00 H new ATOM 0 HA GLU A 48 -19.207 -11.000 -17.733 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -19.505 -8.377 -16.283 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -20.954 -9.227 -16.782 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -18.768 -10.276 -14.957 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -20.397 -9.826 -14.495 1.00 0.00 H new ATOM 704 N ALA A 49 -19.300 -8.331 -19.582 1.00 0.00 N ATOM 705 CA ALA A 49 -19.843 -7.756 -20.807 1.00 0.00 C ATOM 706 C ALA A 49 -19.554 -8.651 -22.007 1.00 0.00 C ATOM 707 O ALA A 49 -20.407 -8.834 -22.875 1.00 0.00 O ATOM 708 CB ALA A 49 -19.274 -6.364 -21.034 1.00 0.00 C ATOM 0 H ALA A 49 -18.495 -7.832 -19.203 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.925 -7.680 -20.696 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.688 -5.947 -21.952 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.536 -5.722 -20.193 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.189 -6.424 -21.120 1.00 0.00 H new ATOM 714 N GLN A 50 -18.346 -9.204 -22.050 1.00 0.00 N ATOM 715 CA GLN A 50 -17.945 -10.078 -23.146 1.00 0.00 C ATOM 716 C GLN A 50 -18.715 -11.394 -23.102 1.00 0.00 C ATOM 717 O GLN A 50 -18.570 -12.179 -22.165 1.00 0.00 O ATOM 718 CB GLN A 50 -16.441 -10.351 -23.084 1.00 0.00 C ATOM 719 CG GLN A 50 -15.592 -9.090 -23.109 1.00 0.00 C ATOM 720 CD GLN A 50 -15.409 -8.537 -24.509 1.00 0.00 C ATOM 721 OE1 GLN A 50 -15.561 -9.256 -25.497 1.00 0.00 O ATOM 722 NE2 GLN A 50 -15.080 -7.254 -24.601 1.00 0.00 N ATOM 0 H GLN A 50 -17.629 -9.062 -21.339 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.177 -9.573 -24.084 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -16.219 -10.911 -22.175 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.160 -10.985 -23.925 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -16.057 -8.331 -22.481 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -14.615 -9.306 -22.677 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.964 -6.695 -23.756 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.943 -6.827 -25.517 1.00 0.00 H new ATOM 731 N LYS A 51 -19.533 -11.629 -24.122 1.00 0.00 N ATOM 732 CA LYS A 51 -20.326 -12.850 -24.201 1.00 0.00 C ATOM 733 C LYS A 51 -19.427 -14.080 -24.265 1.00 0.00 C ATOM 734 O LYS A 51 -18.315 -14.022 -24.792 1.00 0.00 O ATOM 735 CB LYS A 51 -21.241 -12.810 -25.428 1.00 0.00 C ATOM 736 CG LYS A 51 -22.565 -12.109 -25.177 1.00 0.00 C ATOM 737 CD LYS A 51 -23.494 -12.961 -24.327 1.00 0.00 C ATOM 738 CE LYS A 51 -24.345 -13.884 -25.186 1.00 0.00 C ATOM 739 NZ LYS A 51 -25.464 -14.487 -24.411 1.00 0.00 N ATOM 0 H LYS A 51 -19.664 -10.990 -24.906 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.937 -12.915 -23.301 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.721 -12.305 -26.242 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.437 -13.830 -25.758 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.385 -11.157 -24.678 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.045 -11.884 -26.129 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.906 -13.554 -23.626 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -24.141 -12.315 -23.734 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.748 -13.325 -26.031 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.720 -14.676 -25.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -26.020 -15.109 -25.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -25.079 -15.041 -23.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -26.075 -13.732 -24.040 1.00 0.00 H new TER 753 LYS A 51