USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=9 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 19 LYS NZ :NH3+ 143:sc= 0.693 (180deg=0) USER MOD Set 1.2: A 43 TYR OH : rot -130:sc= -0.12 USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 24 ASN : amide:sc= -0.434 K(o=-0.43,f=-1.3!) USER MOD Set 3.1: A 18 TYR OH : rot 120:sc= -0.0891 USER MOD Set 3.2: A 47 HIS : no HD1:sc= -0.208 K(o=-0.3,f=0.27) USER MOD Single : A 1 SER N :NH3+ 165:sc= -0.0967 (180deg=-0.405) USER MOD Single : A 1 SER OG : rot -51:sc= 0.216 USER MOD Single : A 11 MET CE :methyl -170:sc= -0.197 (180deg=-0.511) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0012 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= -0.0452 K(o=-0.045,f=-2.1!) USER MOD Single : A 21 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.11) USER MOD Single : A 29 GLN : amide:sc= -5.44! C(o=-5.4!,f=-4.6!) USER MOD Single : A 40 ASN : amide:sc= -5.18! C(o=-5.2!,f=-16!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.5) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.685 -1.040 -13.221 1.00 0.00 N ATOM 2 CA SER A 1 3.867 -1.925 -13.019 1.00 0.00 C ATOM 3 C SER A 1 3.992 -2.255 -11.539 1.00 0.00 C ATOM 4 O SER A 1 5.082 -2.543 -11.046 1.00 0.00 O ATOM 5 CB SER A 1 5.127 -1.203 -13.497 1.00 0.00 C ATOM 6 OG SER A 1 6.180 -2.147 -13.647 1.00 0.00 O ATOM 0 H1 SER A 1 2.733 -0.606 -14.165 1.00 0.00 H new ATOM 0 H2 SER A 1 1.813 -1.602 -13.142 1.00 0.00 H new ATOM 0 H3 SER A 1 2.682 -0.294 -12.497 1.00 0.00 H new ATOM 0 HA SER A 1 3.744 -2.846 -13.588 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.935 -0.701 -14.445 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.413 -0.433 -12.781 1.00 0.00 H new ATOM 0 HG SER A 1 6.258 -2.682 -12.830 1.00 0.00 H new ATOM 12 N GLU A 2 2.871 -2.203 -10.833 1.00 0.00 N ATOM 13 CA GLU A 2 2.876 -2.490 -9.409 1.00 0.00 C ATOM 14 C GLU A 2 3.297 -3.937 -9.155 1.00 0.00 C ATOM 15 O GLU A 2 3.050 -4.803 -9.980 1.00 0.00 O ATOM 16 CB GLU A 2 1.475 -2.264 -8.820 1.00 0.00 C ATOM 17 CG GLU A 2 1.249 -0.770 -8.591 1.00 0.00 C ATOM 18 CD GLU A 2 2.050 -0.307 -7.379 1.00 0.00 C ATOM 19 OE1 GLU A 2 3.148 0.190 -7.576 1.00 0.00 O ATOM 20 OE2 GLU A 2 1.558 -0.456 -6.273 1.00 0.00 O ATOM 0 H GLU A 2 1.957 -1.967 -11.219 1.00 0.00 H new ATOM 0 HA GLU A 2 3.589 -1.819 -8.929 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.717 -2.657 -9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.373 -2.806 -7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.551 -0.207 -9.474 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.188 -0.573 -8.435 1.00 0.00 H new ATOM 27 N PRO A 3 3.898 -4.208 -8.026 1.00 0.00 N ATOM 28 CA PRO A 3 4.323 -5.582 -7.641 1.00 0.00 C ATOM 29 C PRO A 3 3.320 -6.710 -7.993 1.00 0.00 C ATOM 30 O PRO A 3 2.570 -7.225 -7.165 1.00 0.00 O ATOM 31 CB PRO A 3 4.527 -5.507 -6.126 1.00 0.00 C ATOM 32 CG PRO A 3 4.793 -4.063 -5.811 1.00 0.00 C ATOM 33 CD PRO A 3 4.255 -3.225 -6.981 1.00 0.00 C ATOM 0 HA PRO A 3 5.216 -5.855 -8.204 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.644 -5.865 -5.596 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.362 -6.134 -5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.304 -3.778 -4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.861 -3.891 -5.676 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.388 -2.638 -6.679 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.006 -2.522 -7.341 1.00 0.00 H new ATOM 41 N ASP A 4 3.376 -7.045 -9.277 1.00 0.00 N ATOM 42 CA ASP A 4 2.527 -8.108 -9.866 1.00 0.00 C ATOM 43 C ASP A 4 3.266 -9.415 -9.634 1.00 0.00 C ATOM 44 O ASP A 4 2.617 -10.461 -9.693 1.00 0.00 O ATOM 45 CB ASP A 4 2.261 -7.855 -11.370 1.00 0.00 C ATOM 46 CG ASP A 4 2.967 -6.588 -11.832 1.00 0.00 C ATOM 47 OD1 ASP A 4 2.291 -5.716 -12.350 1.00 0.00 O ATOM 48 OD2 ASP A 4 4.168 -6.504 -11.646 1.00 0.00 O ATOM 0 H ASP A 4 4.003 -6.599 -9.947 1.00 0.00 H new ATOM 0 HA ASP A 4 1.543 -8.130 -9.398 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.610 -8.706 -11.955 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.189 -7.765 -11.545 1.00 0.00 H new ATOM 53 N GLU A 5 4.555 -9.439 -9.442 1.00 0.00 N ATOM 54 CA GLU A 5 5.229 -10.722 -9.294 1.00 0.00 C ATOM 55 C GLU A 5 4.557 -11.657 -8.285 1.00 0.00 C ATOM 56 O GLU A 5 4.415 -12.858 -8.515 1.00 0.00 O ATOM 57 CB GLU A 5 6.694 -10.462 -8.887 1.00 0.00 C ATOM 58 CG GLU A 5 7.646 -11.245 -9.800 1.00 0.00 C ATOM 59 CD GLU A 5 9.088 -10.946 -9.418 1.00 0.00 C ATOM 60 OE1 GLU A 5 9.970 -11.556 -9.994 1.00 0.00 O ATOM 61 OE2 GLU A 5 9.287 -10.110 -8.551 1.00 0.00 O ATOM 0 H GLU A 5 5.156 -8.617 -9.384 1.00 0.00 H new ATOM 0 HA GLU A 5 5.173 -11.235 -10.254 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.913 -9.396 -8.950 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.849 -10.758 -7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.451 -12.314 -9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.472 -10.973 -10.841 1.00 0.00 H new ATOM 68 N ILE A 6 4.150 -11.074 -7.163 1.00 0.00 N ATOM 69 CA ILE A 6 3.497 -11.830 -6.107 1.00 0.00 C ATOM 70 C ILE A 6 2.176 -12.397 -6.610 1.00 0.00 C ATOM 71 O ILE A 6 1.842 -13.551 -6.341 1.00 0.00 O ATOM 72 CB ILE A 6 3.243 -10.923 -4.897 1.00 0.00 C ATOM 73 CG1 ILE A 6 4.554 -10.228 -4.491 1.00 0.00 C ATOM 74 CG2 ILE A 6 2.719 -11.757 -3.725 1.00 0.00 C ATOM 75 CD1 ILE A 6 5.661 -11.264 -4.241 1.00 0.00 C ATOM 0 H ILE A 6 4.262 -10.080 -6.964 1.00 0.00 H new ATOM 0 HA ILE A 6 4.147 -12.653 -5.809 1.00 0.00 H new ATOM 0 HB ILE A 6 2.500 -10.170 -5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.864 -9.538 -5.276 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.394 -9.635 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.540 -11.108 -2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.787 -12.243 -4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.456 -12.514 -3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.580 -10.753 -3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.356 -11.937 -3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.834 -11.839 -5.151 1.00 0.00 H new ATOM 87 N CYS A 7 1.431 -11.569 -7.332 1.00 0.00 N ATOM 88 CA CYS A 7 0.143 -11.997 -7.854 1.00 0.00 C ATOM 89 C CYS A 7 0.312 -13.165 -8.818 1.00 0.00 C ATOM 90 O CYS A 7 -0.444 -14.128 -8.779 1.00 0.00 O ATOM 91 CB CYS A 7 -0.595 -10.834 -8.526 1.00 0.00 C ATOM 92 SG CYS A 7 -2.302 -10.799 -7.962 1.00 0.00 S ATOM 0 H CYS A 7 1.693 -10.611 -7.566 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.464 -12.335 -7.014 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.103 -9.891 -8.288 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.561 -10.946 -9.610 1.00 0.00 H new ATOM 97 N ARG A 8 1.312 -13.037 -9.690 1.00 0.00 N ATOM 98 CA ARG A 8 1.582 -14.047 -10.706 1.00 0.00 C ATOM 99 C ARG A 8 2.023 -15.339 -10.064 1.00 0.00 C ATOM 100 O ARG A 8 1.643 -16.425 -10.507 1.00 0.00 O ATOM 101 CB ARG A 8 2.643 -13.556 -11.684 1.00 0.00 C ATOM 102 CG ARG A 8 2.048 -12.449 -12.564 1.00 0.00 C ATOM 103 CD ARG A 8 3.113 -11.957 -13.543 1.00 0.00 C ATOM 104 NE ARG A 8 2.588 -10.872 -14.363 1.00 0.00 N ATOM 105 CZ ARG A 8 3.337 -10.293 -15.296 1.00 0.00 C ATOM 106 NH1 ARG A 8 2.846 -9.321 -16.015 1.00 0.00 N ATOM 107 NH2 ARG A 8 4.562 -10.696 -15.492 1.00 0.00 N ATOM 0 H ARG A 8 1.949 -12.240 -9.711 1.00 0.00 H new ATOM 0 HA ARG A 8 0.660 -14.229 -11.258 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.509 -13.178 -11.140 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.992 -14.381 -12.304 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.183 -12.827 -13.109 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.698 -11.624 -11.944 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.990 -11.615 -12.994 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.437 -12.779 -14.181 1.00 0.00 H new ATOM 0 HE ARG A 8 1.630 -10.552 -14.218 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.888 -9.006 -15.861 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.420 -8.876 -16.731 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.945 -11.456 -14.929 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.137 -10.252 -16.208 1.00 0.00 H new ATOM 121 N ALA A 9 2.864 -15.227 -9.050 1.00 0.00 N ATOM 122 CA ALA A 9 3.411 -16.389 -8.378 1.00 0.00 C ATOM 123 C ALA A 9 2.331 -17.180 -7.677 1.00 0.00 C ATOM 124 O ALA A 9 2.584 -18.289 -7.208 1.00 0.00 O ATOM 125 CB ALA A 9 4.448 -15.916 -7.370 1.00 0.00 C ATOM 0 H ALA A 9 3.184 -14.335 -8.673 1.00 0.00 H new ATOM 0 HA ALA A 9 3.869 -17.046 -9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.872 -16.777 -6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.241 -15.378 -7.889 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.975 -15.254 -6.645 1.00 0.00 H new ATOM 131 N ARG A 10 1.125 -16.619 -7.559 1.00 0.00 N ATOM 132 CA ARG A 10 0.027 -17.276 -6.871 1.00 0.00 C ATOM 133 C ARG A 10 -0.978 -17.844 -7.858 1.00 0.00 C ATOM 134 O ARG A 10 -1.845 -18.631 -7.486 1.00 0.00 O ATOM 135 CB ARG A 10 -0.668 -16.252 -5.964 1.00 0.00 C ATOM 136 CG ARG A 10 -1.779 -16.933 -5.165 1.00 0.00 C ATOM 137 CD ARG A 10 -2.330 -15.966 -4.119 1.00 0.00 C ATOM 138 NE ARG A 10 -3.022 -14.857 -4.764 1.00 0.00 N ATOM 139 CZ ARG A 10 -3.481 -13.830 -4.056 1.00 0.00 C ATOM 140 NH1 ARG A 10 -4.099 -12.849 -4.652 1.00 0.00 N ATOM 141 NH2 ARG A 10 -3.315 -13.806 -2.761 1.00 0.00 N ATOM 0 H ARG A 10 0.890 -15.702 -7.938 1.00 0.00 H new ATOM 0 HA ARG A 10 0.425 -18.102 -6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.057 -15.803 -5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.084 -15.444 -6.566 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.577 -17.253 -5.834 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.393 -17.829 -4.678 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.015 -16.492 -3.454 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.516 -15.585 -3.502 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.156 -14.869 -5.775 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.231 -12.869 -5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.451 -12.062 -4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.834 -14.575 -2.294 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.667 -13.019 -2.216 1.00 0.00 H new ATOM 155 N MET A 11 -0.866 -17.432 -9.126 1.00 0.00 N ATOM 156 CA MET A 11 -1.784 -17.886 -10.177 1.00 0.00 C ATOM 157 C MET A 11 -1.019 -18.539 -11.321 1.00 0.00 C ATOM 158 O MET A 11 0.159 -18.249 -11.535 1.00 0.00 O ATOM 159 CB MET A 11 -2.621 -16.711 -10.676 1.00 0.00 C ATOM 160 CG MET A 11 -1.716 -15.501 -10.975 1.00 0.00 C ATOM 161 SD MET A 11 -2.529 -13.972 -10.448 1.00 0.00 S ATOM 162 CE MET A 11 -3.988 -14.122 -11.498 1.00 0.00 C ATOM 0 H MET A 11 -0.148 -16.784 -9.450 1.00 0.00 H new ATOM 0 HA MET A 11 -2.454 -18.638 -9.759 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.165 -16.999 -11.576 1.00 0.00 H new ATOM 0 HB3 MET A 11 -3.365 -16.441 -9.927 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.763 -15.613 -10.457 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.496 -15.456 -12.042 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.554 -13.191 -11.469 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.679 -14.327 -12.523 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.614 -14.938 -11.137 1.00 0.00 H new ATOM 172 N THR A 12 -1.701 -19.369 -12.087 1.00 0.00 N ATOM 173 CA THR A 12 -1.078 -19.993 -13.248 1.00 0.00 C ATOM 174 C THR A 12 -0.916 -18.970 -14.378 1.00 0.00 C ATOM 175 O THR A 12 -1.569 -17.925 -14.383 1.00 0.00 O ATOM 176 CB THR A 12 -1.948 -21.145 -13.737 1.00 0.00 C ATOM 177 OG1 THR A 12 -3.290 -20.699 -13.863 1.00 0.00 O ATOM 178 CG2 THR A 12 -1.880 -22.285 -12.726 1.00 0.00 C ATOM 0 H THR A 12 -2.676 -19.627 -11.933 1.00 0.00 H new ATOM 0 HA THR A 12 -0.095 -20.367 -12.960 1.00 0.00 H new ATOM 0 HB THR A 12 -1.591 -21.494 -14.706 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.852 -21.437 -14.179 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.500 -23.113 -13.069 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.848 -22.622 -12.626 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.243 -21.936 -11.759 1.00 0.00 H new ATOM 186 N HIS A 13 -0.044 -19.284 -15.338 1.00 0.00 N ATOM 187 CA HIS A 13 0.193 -18.397 -16.476 1.00 0.00 C ATOM 188 C HIS A 13 -1.051 -18.313 -17.349 1.00 0.00 C ATOM 189 O HIS A 13 -1.414 -17.226 -17.797 1.00 0.00 O ATOM 190 CB HIS A 13 1.378 -18.894 -17.301 1.00 0.00 C ATOM 191 CG HIS A 13 2.642 -18.733 -16.507 1.00 0.00 C ATOM 192 ND1 HIS A 13 3.305 -17.520 -16.412 1.00 0.00 N ATOM 193 CD2 HIS A 13 3.376 -19.622 -15.765 1.00 0.00 C ATOM 194 CE1 HIS A 13 4.389 -17.711 -15.638 1.00 0.00 C ATOM 195 NE2 HIS A 13 4.480 -18.977 -15.217 1.00 0.00 N ATOM 0 H HIS A 13 0.507 -20.142 -15.350 1.00 0.00 H new ATOM 0 HA HIS A 13 0.424 -17.402 -16.095 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.235 -19.941 -17.569 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.447 -18.333 -18.233 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.134 -20.665 -15.627 1.00 0.00 H new ATOM 0 HE1 HIS A 13 5.099 -16.937 -15.387 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.203 -19.382 -14.622 1.00 0.00 H new ATOM 203 N LYS A 14 -1.709 -19.438 -17.601 1.00 0.00 N ATOM 204 CA LYS A 14 -2.906 -19.444 -18.431 1.00 0.00 C ATOM 205 C LYS A 14 -3.968 -18.554 -17.814 1.00 0.00 C ATOM 206 O LYS A 14 -4.642 -17.804 -18.519 1.00 0.00 O ATOM 207 CB LYS A 14 -3.398 -20.886 -18.580 1.00 0.00 C ATOM 208 CG LYS A 14 -4.775 -20.901 -19.254 1.00 0.00 C ATOM 209 CD LYS A 14 -5.207 -22.338 -19.527 1.00 0.00 C ATOM 210 CE LYS A 14 -6.573 -22.324 -20.212 1.00 0.00 C ATOM 211 NZ LYS A 14 -6.980 -23.719 -20.528 1.00 0.00 N ATOM 0 H LYS A 14 -1.435 -20.354 -17.244 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.681 -19.049 -19.421 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.687 -21.462 -19.172 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.457 -21.362 -17.601 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.507 -20.408 -18.615 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.738 -20.340 -20.188 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.474 -22.838 -20.159 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.259 -22.899 -18.594 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.313 -21.855 -19.563 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.528 -21.731 -21.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.910 -23.712 -20.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.278 -24.150 -21.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.038 -24.271 -19.649 1.00 0.00 H new ATOM 225 N GLU A 15 -4.126 -18.647 -16.509 1.00 0.00 N ATOM 226 CA GLU A 15 -5.134 -17.850 -15.834 1.00 0.00 C ATOM 227 C GLU A 15 -4.761 -16.374 -15.879 1.00 0.00 C ATOM 228 O GLU A 15 -5.599 -15.518 -16.160 1.00 0.00 O ATOM 229 CB GLU A 15 -5.259 -18.313 -14.383 1.00 0.00 C ATOM 230 CG GLU A 15 -6.429 -17.600 -13.701 1.00 0.00 C ATOM 231 CD GLU A 15 -7.748 -18.136 -14.245 1.00 0.00 C ATOM 232 OE1 GLU A 15 -7.710 -19.071 -15.027 1.00 0.00 O ATOM 233 OE2 GLU A 15 -8.779 -17.613 -13.860 1.00 0.00 O ATOM 0 H GLU A 15 -3.579 -19.257 -15.901 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.090 -17.980 -16.341 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.411 -19.392 -14.349 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.334 -18.105 -13.846 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.381 -17.752 -12.623 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.363 -16.526 -13.874 1.00 0.00 H new ATOM 240 N PHE A 16 -3.503 -16.094 -15.586 1.00 0.00 N ATOM 241 CA PHE A 16 -3.021 -14.722 -15.585 1.00 0.00 C ATOM 242 C PHE A 16 -3.169 -14.074 -16.951 1.00 0.00 C ATOM 243 O PHE A 16 -3.650 -12.945 -17.050 1.00 0.00 O ATOM 244 CB PHE A 16 -1.545 -14.671 -15.193 1.00 0.00 C ATOM 245 CG PHE A 16 -1.092 -13.228 -15.116 1.00 0.00 C ATOM 246 CD1 PHE A 16 -0.481 -12.626 -16.224 1.00 0.00 C ATOM 247 CD2 PHE A 16 -1.278 -12.493 -13.937 1.00 0.00 C ATOM 248 CE1 PHE A 16 -0.058 -11.293 -16.154 1.00 0.00 C ATOM 249 CE2 PHE A 16 -0.855 -11.158 -13.868 1.00 0.00 C ATOM 250 CZ PHE A 16 -0.246 -10.559 -14.977 1.00 0.00 C ATOM 0 H PHE A 16 -2.800 -16.793 -15.347 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.626 -14.177 -14.860 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.396 -15.162 -14.231 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.945 -15.213 -15.924 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.336 -13.191 -17.133 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.747 -12.955 -13.081 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.414 -10.831 -17.009 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.999 -10.592 -12.960 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.079 -9.530 -14.924 1.00 0.00 H new ATOM 260 N ASN A 17 -2.795 -14.786 -18.010 1.00 0.00 N ATOM 261 CA ASN A 17 -2.930 -14.272 -19.362 1.00 0.00 C ATOM 262 C ASN A 17 -4.397 -14.045 -19.711 1.00 0.00 C ATOM 263 O ASN A 17 -4.733 -13.050 -20.347 1.00 0.00 O ATOM 264 CB ASN A 17 -2.304 -15.247 -20.354 1.00 0.00 C ATOM 265 CG ASN A 17 -0.789 -15.232 -20.199 1.00 0.00 C ATOM 266 OD1 ASN A 17 -0.231 -14.294 -19.631 1.00 0.00 O ATOM 267 ND2 ASN A 17 -0.086 -16.225 -20.669 1.00 0.00 N ATOM 0 H ASN A 17 -2.395 -15.723 -17.954 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.410 -13.316 -19.420 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.687 -16.253 -20.182 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.578 -14.971 -21.372 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.929 -16.225 -20.566 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.551 -17.001 -21.139 1.00 0.00 H new ATOM 274 N TYR A 18 -5.271 -14.976 -19.327 1.00 0.00 N ATOM 275 CA TYR A 18 -6.687 -14.878 -19.643 1.00 0.00 C ATOM 276 C TYR A 18 -7.314 -13.631 -19.048 1.00 0.00 C ATOM 277 O TYR A 18 -7.950 -12.824 -19.731 1.00 0.00 O ATOM 278 CB TYR A 18 -7.411 -16.132 -19.135 1.00 0.00 C ATOM 279 CG TYR A 18 -8.901 -15.973 -19.340 1.00 0.00 C ATOM 280 CD1 TYR A 18 -9.506 -16.465 -20.504 1.00 0.00 C ATOM 281 CD2 TYR A 18 -9.674 -15.322 -18.374 1.00 0.00 C ATOM 282 CE1 TYR A 18 -10.884 -16.307 -20.696 1.00 0.00 C ATOM 283 CE2 TYR A 18 -11.049 -15.164 -18.564 1.00 0.00 C ATOM 284 CZ TYR A 18 -11.655 -15.656 -19.727 1.00 0.00 C ATOM 285 OH TYR A 18 -13.012 -15.499 -19.914 1.00 0.00 O ATOM 0 H TYR A 18 -5.017 -15.808 -18.795 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.789 -14.806 -20.726 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -7.052 -17.013 -19.667 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -7.193 -16.288 -18.078 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.910 -16.966 -21.253 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -9.207 -14.940 -17.478 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.352 -16.688 -21.592 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.644 -14.663 -17.815 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.496 -15.944 -19.187 1.00 0.00 H new ATOM 295 N LYS A 19 -7.126 -13.497 -17.746 1.00 0.00 N ATOM 296 CA LYS A 19 -7.673 -12.382 -17.009 1.00 0.00 C ATOM 297 C LYS A 19 -7.087 -11.064 -17.493 1.00 0.00 C ATOM 298 O LYS A 19 -7.775 -10.051 -17.576 1.00 0.00 O ATOM 299 CB LYS A 19 -7.389 -12.546 -15.517 1.00 0.00 C ATOM 300 CG LYS A 19 -7.939 -13.886 -14.995 1.00 0.00 C ATOM 301 CD LYS A 19 -9.449 -13.787 -14.760 1.00 0.00 C ATOM 302 CE LYS A 19 -9.971 -15.124 -14.237 1.00 0.00 C ATOM 303 NZ LYS A 19 -11.421 -14.997 -13.924 1.00 0.00 N ATOM 0 H LYS A 19 -6.593 -14.156 -17.178 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.750 -12.367 -17.177 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.315 -12.496 -15.340 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.842 -11.723 -14.964 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.727 -14.678 -15.713 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.437 -14.156 -14.066 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.665 -12.995 -14.044 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.956 -13.524 -15.688 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.815 -15.905 -14.981 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.419 -15.419 -13.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.909 -15.880 -14.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.542 -14.812 -12.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.826 -14.210 -14.470 1.00 0.00 H new ATOM 317 N SER A 20 -5.796 -11.088 -17.792 1.00 0.00 N ATOM 318 CA SER A 20 -5.114 -9.892 -18.251 1.00 0.00 C ATOM 319 C SER A 20 -5.757 -9.327 -19.517 1.00 0.00 C ATOM 320 O SER A 20 -5.992 -8.128 -19.649 1.00 0.00 O ATOM 321 CB SER A 20 -3.631 -10.164 -18.483 1.00 0.00 C ATOM 322 OG SER A 20 -2.990 -8.964 -18.895 1.00 0.00 O ATOM 0 H SER A 20 -5.206 -11.917 -17.725 1.00 0.00 H new ATOM 0 HA SER A 20 -5.210 -9.143 -17.465 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.171 -10.539 -17.569 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.506 -10.936 -19.243 1.00 0.00 H new ATOM 0 HG SER A 20 -2.037 -9.137 -19.043 1.00 0.00 H new ATOM 328 N ASN A 21 -6.083 -10.259 -20.411 1.00 0.00 N ATOM 329 CA ASN A 21 -6.761 -9.917 -21.655 1.00 0.00 C ATOM 330 C ASN A 21 -8.135 -9.322 -21.363 1.00 0.00 C ATOM 331 O ASN A 21 -8.578 -8.409 -22.059 1.00 0.00 O ATOM 332 CB ASN A 21 -6.913 -11.152 -22.562 1.00 0.00 C ATOM 333 CG ASN A 21 -5.635 -11.370 -23.367 1.00 0.00 C ATOM 334 OD1 ASN A 21 -5.102 -12.479 -23.401 1.00 0.00 O ATOM 335 ND2 ASN A 21 -5.114 -10.369 -24.023 1.00 0.00 N ATOM 0 H ASN A 21 -5.888 -11.254 -20.295 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.151 -9.179 -22.176 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.126 -12.033 -21.957 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.758 -11.016 -23.236 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.262 -10.504 -24.567 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.559 -9.452 -23.992 1.00 0.00 H new ATOM 342 N VAL A 22 -8.809 -9.834 -20.333 1.00 0.00 N ATOM 343 CA VAL A 22 -10.135 -9.344 -19.960 1.00 0.00 C ATOM 344 C VAL A 22 -10.066 -7.891 -19.498 1.00 0.00 C ATOM 345 O VAL A 22 -10.854 -7.052 -19.934 1.00 0.00 O ATOM 346 CB VAL A 22 -10.708 -10.214 -18.843 1.00 0.00 C ATOM 347 CG1 VAL A 22 -12.046 -9.633 -18.380 1.00 0.00 C ATOM 348 CG2 VAL A 22 -10.923 -11.638 -19.371 1.00 0.00 C ATOM 0 H VAL A 22 -8.458 -10.588 -19.742 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.783 -9.397 -20.835 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.013 -10.237 -18.003 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.456 -10.253 -17.583 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.894 -8.619 -18.009 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.743 -9.612 -19.218 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.332 -12.263 -18.577 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.620 -11.614 -20.209 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.970 -12.051 -19.703 1.00 0.00 H new ATOM 358 N CYS A 23 -9.113 -7.606 -18.610 1.00 0.00 N ATOM 359 CA CYS A 23 -8.934 -6.255 -18.087 1.00 0.00 C ATOM 360 C CYS A 23 -8.415 -5.338 -19.181 1.00 0.00 C ATOM 361 O CYS A 23 -8.887 -4.207 -19.296 1.00 0.00 O ATOM 362 CB CYS A 23 -7.939 -6.268 -16.922 1.00 0.00 C ATOM 363 SG CYS A 23 -8.747 -6.837 -15.398 1.00 0.00 S ATOM 0 H CYS A 23 -8.455 -8.292 -18.240 1.00 0.00 H new ATOM 0 HA CYS A 23 -9.898 -5.888 -17.734 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.100 -6.921 -17.161 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.532 -5.268 -16.773 1.00 0.00 H new ATOM 368 N ASN A 24 -7.465 -5.776 -19.980 1.00 0.00 N ATOM 369 CA ASN A 24 -6.928 -4.943 -21.028 1.00 0.00 C ATOM 370 C ASN A 24 -8.018 -4.588 -22.020 1.00 0.00 C ATOM 371 O ASN A 24 -7.949 -3.539 -22.658 1.00 0.00 O ATOM 372 CB ASN A 24 -5.787 -5.661 -21.728 1.00 0.00 C ATOM 373 CG ASN A 24 -4.591 -5.775 -20.791 1.00 0.00 C ATOM 374 OD1 ASN A 24 -4.495 -5.043 -19.805 1.00 0.00 O ATOM 375 ND2 ASN A 24 -3.671 -6.665 -21.040 1.00 0.00 N ATOM 0 H ASN A 24 -7.050 -6.706 -19.921 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.544 -4.022 -20.589 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.109 -6.654 -22.042 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.503 -5.118 -22.629 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.868 -6.757 -20.417 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.754 -7.269 -21.857 1.00 0.00 H new ATOM 382 N GLY A 25 -9.033 -5.448 -22.171 1.00 0.00 N ATOM 383 CA GLY A 25 -10.104 -5.157 -23.112 1.00 0.00 C ATOM 384 C GLY A 25 -11.149 -4.264 -22.477 1.00 0.00 C ATOM 385 O GLY A 25 -12.214 -4.045 -23.058 1.00 0.00 O ATOM 0 H GLY A 25 -9.129 -6.328 -21.664 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.694 -4.672 -23.998 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.566 -6.087 -23.443 1.00 0.00 H new ATOM 389 N CYS A 26 -10.882 -3.792 -21.256 1.00 0.00 N ATOM 390 CA CYS A 26 -11.858 -2.987 -20.533 1.00 0.00 C ATOM 391 C CYS A 26 -11.693 -1.492 -20.750 1.00 0.00 C ATOM 392 O CYS A 26 -11.631 -0.691 -19.819 1.00 0.00 O ATOM 393 CB CYS A 26 -11.840 -3.299 -19.041 1.00 0.00 C ATOM 394 SG CYS A 26 -13.423 -2.715 -18.363 1.00 0.00 S ATOM 0 H CYS A 26 -10.008 -3.953 -20.756 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.826 -3.265 -20.949 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.718 -4.369 -18.871 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.003 -2.801 -18.552 1.00 0.00 H new ATOM 399 N GLY A 27 -11.623 -1.162 -22.018 1.00 0.00 N ATOM 400 CA GLY A 27 -11.466 0.213 -22.443 1.00 0.00 C ATOM 401 C GLY A 27 -10.417 1.001 -21.646 1.00 0.00 C ATOM 402 O GLY A 27 -9.242 0.631 -21.634 1.00 0.00 O ATOM 0 H GLY A 27 -11.673 -1.835 -22.783 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.191 0.227 -23.498 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.427 0.720 -22.358 1.00 0.00 H new ATOM 406 N ASP A 28 -10.835 2.076 -20.975 1.00 0.00 N ATOM 407 CA ASP A 28 -9.891 2.892 -20.182 1.00 0.00 C ATOM 408 C ASP A 28 -9.883 2.461 -18.708 1.00 0.00 C ATOM 409 O ASP A 28 -9.332 3.163 -17.858 1.00 0.00 O ATOM 410 CB ASP A 28 -10.277 4.358 -20.299 1.00 0.00 C ATOM 411 CG ASP A 28 -10.038 4.826 -21.730 1.00 0.00 C ATOM 412 OD1 ASP A 28 -10.491 5.908 -22.062 1.00 0.00 O ATOM 413 OD2 ASP A 28 -9.411 4.090 -22.474 1.00 0.00 O ATOM 0 H ASP A 28 -11.801 2.404 -20.959 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.885 2.743 -20.575 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.324 4.493 -20.029 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.689 4.958 -19.604 1.00 0.00 H new ATOM 418 N GLN A 29 -10.477 1.318 -18.403 1.00 0.00 N ATOM 419 CA GLN A 29 -10.510 0.819 -17.024 1.00 0.00 C ATOM 420 C GLN A 29 -9.457 -0.256 -16.837 1.00 0.00 C ATOM 421 O GLN A 29 -9.419 -0.938 -15.812 1.00 0.00 O ATOM 422 CB GLN A 29 -11.887 0.257 -16.693 1.00 0.00 C ATOM 423 CG GLN A 29 -12.963 1.302 -17.004 1.00 0.00 C ATOM 424 CD GLN A 29 -13.264 1.321 -18.502 1.00 0.00 C ATOM 425 OE1 GLN A 29 -13.604 0.289 -19.078 1.00 0.00 O ATOM 426 NE2 GLN A 29 -13.161 2.440 -19.172 1.00 0.00 N ATOM 0 H GLN A 29 -10.942 0.716 -19.083 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.300 1.649 -16.349 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.069 -0.649 -17.272 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.932 -0.023 -15.640 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.872 1.076 -16.446 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.627 2.287 -16.681 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.879 3.296 -18.695 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.363 2.456 -20.172 1.00 0.00 H new ATOM 435 N VAL A 30 -8.618 -0.419 -17.847 1.00 0.00 N ATOM 436 CA VAL A 30 -7.584 -1.436 -17.792 1.00 0.00 C ATOM 437 C VAL A 30 -6.875 -1.447 -16.454 1.00 0.00 C ATOM 438 O VAL A 30 -6.734 -2.495 -15.824 1.00 0.00 O ATOM 439 CB VAL A 30 -6.537 -1.229 -18.918 1.00 0.00 C ATOM 440 CG1 VAL A 30 -6.553 0.234 -19.357 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.105 -1.590 -18.430 1.00 0.00 C ATOM 0 H VAL A 30 -8.632 0.133 -18.705 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.083 -2.395 -17.931 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.797 -1.884 -19.750 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.819 0.384 -20.148 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.545 0.492 -19.729 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.307 0.871 -18.508 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.394 -1.435 -19.242 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.837 -0.954 -17.586 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.079 -2.635 -18.120 1.00 0.00 H new ATOM 451 N ALA A 31 -6.356 -0.283 -16.040 1.00 0.00 N ATOM 452 CA ALA A 31 -5.586 -0.199 -14.825 1.00 0.00 C ATOM 453 C ALA A 31 -6.405 -0.508 -13.605 1.00 0.00 C ATOM 454 O ALA A 31 -5.950 -1.202 -12.695 1.00 0.00 O ATOM 455 CB ALA A 31 -4.846 1.142 -14.716 1.00 0.00 C ATOM 0 H ALA A 31 -6.463 0.601 -16.537 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.823 -0.976 -14.876 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.276 1.169 -13.787 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.167 1.253 -15.561 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.569 1.958 -14.722 1.00 0.00 H new ATOM 461 N ALA A 32 -7.634 -0.002 -13.577 1.00 0.00 N ATOM 462 CA ALA A 32 -8.526 -0.235 -12.463 1.00 0.00 C ATOM 463 C ALA A 32 -8.864 -1.722 -12.401 1.00 0.00 C ATOM 464 O ALA A 32 -8.944 -2.326 -11.334 1.00 0.00 O ATOM 465 CB ALA A 32 -9.819 0.559 -12.682 1.00 0.00 C ATOM 0 H ALA A 32 -8.030 0.574 -14.320 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.049 0.079 -11.534 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.497 0.388 -11.846 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.586 1.622 -12.749 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.294 0.232 -13.607 1.00 0.00 H new ATOM 471 N CYS A 33 -9.063 -2.269 -13.590 1.00 0.00 N ATOM 472 CA CYS A 33 -9.408 -3.674 -13.705 1.00 0.00 C ATOM 473 C CYS A 33 -8.263 -4.561 -13.257 1.00 0.00 C ATOM 474 O CYS A 33 -8.465 -5.656 -12.725 1.00 0.00 O ATOM 475 CB CYS A 33 -9.805 -4.020 -15.133 1.00 0.00 C ATOM 476 SG CYS A 33 -10.417 -5.721 -15.206 1.00 0.00 S ATOM 0 H CYS A 33 -8.993 -1.769 -14.476 1.00 0.00 H new ATOM 0 HA CYS A 33 -10.260 -3.855 -13.049 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.575 -3.332 -15.483 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -8.948 -3.904 -15.796 1.00 0.00 H new ATOM 481 N GLU A 34 -7.035 -4.073 -13.488 1.00 0.00 N ATOM 482 CA GLU A 34 -5.835 -4.808 -13.132 1.00 0.00 C ATOM 483 C GLU A 34 -5.476 -4.616 -11.680 1.00 0.00 C ATOM 484 O GLU A 34 -4.631 -5.346 -11.151 1.00 0.00 O ATOM 485 CB GLU A 34 -4.656 -4.365 -14.007 1.00 0.00 C ATOM 486 CG GLU A 34 -4.750 -4.996 -15.396 1.00 0.00 C ATOM 487 CD GLU A 34 -3.473 -4.733 -16.178 1.00 0.00 C ATOM 488 OE1 GLU A 34 -3.453 -5.048 -17.354 1.00 0.00 O ATOM 489 OE2 GLU A 34 -2.531 -4.232 -15.586 1.00 0.00 O ATOM 0 H GLU A 34 -6.858 -3.167 -13.922 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.041 -5.865 -13.300 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.649 -3.279 -14.095 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.717 -4.652 -13.534 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.915 -6.070 -15.306 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.605 -4.586 -15.933 1.00 0.00 H new ATOM 496 N ALA A 35 -6.028 -3.607 -11.023 1.00 0.00 N ATOM 497 CA ALA A 35 -5.693 -3.266 -9.656 1.00 0.00 C ATOM 498 C ALA A 35 -5.653 -4.453 -8.722 1.00 0.00 C ATOM 499 O ALA A 35 -4.626 -4.737 -8.110 1.00 0.00 O ATOM 500 CB ALA A 35 -6.775 -2.342 -9.108 1.00 0.00 C ATOM 0 H ALA A 35 -6.732 -2.995 -11.435 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.701 -2.816 -9.692 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.538 -2.075 -8.078 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.823 -1.438 -9.715 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.738 -2.851 -9.138 1.00 0.00 H new ATOM 506 N GLU A 36 -6.780 -5.125 -8.599 1.00 0.00 N ATOM 507 CA GLU A 36 -6.864 -6.254 -7.686 1.00 0.00 C ATOM 508 C GLU A 36 -6.671 -7.595 -8.380 1.00 0.00 C ATOM 509 O GLU A 36 -7.412 -8.534 -8.126 1.00 0.00 O ATOM 510 CB GLU A 36 -8.196 -6.224 -6.944 1.00 0.00 C ATOM 511 CG GLU A 36 -8.222 -5.012 -6.004 1.00 0.00 C ATOM 512 CD GLU A 36 -9.586 -4.894 -5.331 1.00 0.00 C ATOM 513 OE1 GLU A 36 -9.766 -3.972 -4.559 1.00 0.00 O ATOM 514 OE2 GLU A 36 -10.431 -5.729 -5.605 1.00 0.00 O ATOM 0 H GLU A 36 -7.638 -4.916 -9.109 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.044 -6.153 -6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.021 -6.166 -7.655 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.330 -7.144 -6.375 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.443 -5.113 -5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.006 -4.103 -6.565 1.00 0.00 H new ATOM 521 N CYS A 37 -5.692 -7.684 -9.280 1.00 0.00 N ATOM 522 CA CYS A 37 -5.466 -8.932 -10.000 1.00 0.00 C ATOM 523 C CYS A 37 -6.767 -9.384 -10.645 1.00 0.00 C ATOM 524 O CYS A 37 -7.081 -10.573 -10.693 1.00 0.00 O ATOM 525 CB CYS A 37 -4.916 -10.022 -9.059 1.00 0.00 C ATOM 526 SG CYS A 37 -3.356 -10.665 -9.669 1.00 0.00 S ATOM 0 H CYS A 37 -5.057 -6.924 -9.523 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.720 -8.762 -10.776 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.778 -9.610 -8.059 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.639 -10.833 -8.973 1.00 0.00 H new ATOM 531 N PHE A 38 -7.492 -8.440 -11.196 1.00 0.00 N ATOM 532 CA PHE A 38 -8.726 -8.753 -11.886 1.00 0.00 C ATOM 533 C PHE A 38 -9.797 -9.164 -10.898 1.00 0.00 C ATOM 534 O PHE A 38 -10.892 -9.562 -11.294 1.00 0.00 O ATOM 535 CB PHE A 38 -8.502 -9.839 -12.977 1.00 0.00 C ATOM 536 CG PHE A 38 -7.020 -9.926 -13.318 1.00 0.00 C ATOM 537 CD1 PHE A 38 -6.320 -11.136 -13.158 1.00 0.00 C ATOM 538 CD2 PHE A 38 -6.347 -8.799 -13.771 1.00 0.00 C ATOM 539 CE1 PHE A 38 -4.958 -11.202 -13.463 1.00 0.00 C ATOM 540 CE2 PHE A 38 -4.983 -8.871 -14.070 1.00 0.00 C ATOM 541 CZ PHE A 38 -4.292 -10.070 -13.918 1.00 0.00 C ATOM 0 H PHE A 38 -7.251 -7.449 -11.182 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.071 -7.854 -12.397 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.861 -10.805 -12.621 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.077 -9.595 -13.870 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.836 -12.014 -12.799 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.878 -7.866 -13.892 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.423 -12.133 -13.345 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.463 -7.992 -14.421 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.239 -10.121 -14.153 1.00 0.00 H new ATOM 551 N ARG A 39 -9.492 -9.047 -9.602 1.00 0.00 N ATOM 552 CA ARG A 39 -10.438 -9.374 -8.546 1.00 0.00 C ATOM 553 C ARG A 39 -11.110 -8.075 -8.090 1.00 0.00 C ATOM 554 O ARG A 39 -10.772 -7.513 -7.054 1.00 0.00 O ATOM 555 CB ARG A 39 -9.716 -10.046 -7.371 1.00 0.00 C ATOM 556 CG ARG A 39 -8.783 -11.152 -7.885 1.00 0.00 C ATOM 557 CD ARG A 39 -9.607 -12.243 -8.564 1.00 0.00 C ATOM 558 NE ARG A 39 -8.800 -13.442 -8.751 1.00 0.00 N ATOM 559 CZ ARG A 39 -9.159 -14.379 -9.620 1.00 0.00 C ATOM 560 NH1 ARG A 39 -8.429 -15.450 -9.761 1.00 0.00 N ATOM 561 NH2 ARG A 39 -10.241 -14.226 -10.332 1.00 0.00 N ATOM 0 H ARG A 39 -8.586 -8.724 -9.263 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.188 -10.072 -8.918 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.142 -9.305 -6.816 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.445 -10.468 -6.679 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.062 -10.736 -8.589 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.213 -11.575 -7.058 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.483 -12.476 -7.959 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.971 -11.887 -9.528 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.946 -13.563 -8.206 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.583 -15.567 -9.204 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.704 -16.171 -10.429 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.810 -13.387 -10.221 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.518 -14.945 -11.000 1.00 0.00 H new ATOM 575 N ASN A 40 -12.070 -7.628 -8.890 1.00 0.00 N ATOM 576 CA ASN A 40 -12.796 -6.391 -8.572 1.00 0.00 C ATOM 577 C ASN A 40 -14.113 -6.350 -9.317 1.00 0.00 C ATOM 578 O ASN A 40 -14.393 -7.193 -10.174 1.00 0.00 O ATOM 579 CB ASN A 40 -11.916 -5.191 -8.924 1.00 0.00 C ATOM 580 CG ASN A 40 -11.454 -5.291 -10.367 1.00 0.00 C ATOM 581 OD1 ASN A 40 -12.142 -5.870 -11.202 1.00 0.00 O ATOM 582 ND2 ASN A 40 -10.315 -4.760 -10.706 1.00 0.00 N ATOM 0 H ASN A 40 -12.365 -8.089 -9.751 1.00 0.00 H new ATOM 0 HA ASN A 40 -13.023 -6.357 -7.506 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.472 -4.266 -8.775 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.053 -5.155 -8.259 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.990 -4.824 -11.671 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.748 -4.280 -10.007 1.00 0.00 H new ATOM 589 N ASP A 41 -14.955 -5.374 -8.954 1.00 0.00 N ATOM 590 CA ASP A 41 -16.264 -5.270 -9.569 1.00 0.00 C ATOM 591 C ASP A 41 -16.102 -4.823 -11.009 1.00 0.00 C ATOM 592 O ASP A 41 -16.906 -5.217 -11.855 1.00 0.00 O ATOM 593 CB ASP A 41 -17.132 -4.275 -8.789 1.00 0.00 C ATOM 594 CG ASP A 41 -17.326 -4.747 -7.355 1.00 0.00 C ATOM 595 OD1 ASP A 41 -17.609 -3.910 -6.511 1.00 0.00 O ATOM 596 OD2 ASP A 41 -17.173 -5.932 -7.115 1.00 0.00 O ATOM 0 H ASP A 41 -14.750 -4.663 -8.251 1.00 0.00 H new ATOM 0 HA ASP A 41 -16.758 -6.241 -9.550 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -16.662 -3.292 -8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -18.101 -4.168 -9.277 1.00 0.00 H new ATOM 601 N VAL A 42 -15.071 -4.049 -11.334 1.00 0.00 N ATOM 602 CA VAL A 42 -14.837 -3.634 -12.699 1.00 0.00 C ATOM 603 C VAL A 42 -14.554 -4.859 -13.560 1.00 0.00 C ATOM 604 O VAL A 42 -15.074 -4.988 -14.666 1.00 0.00 O ATOM 605 CB VAL A 42 -13.667 -2.645 -12.759 1.00 0.00 C ATOM 606 CG1 VAL A 42 -13.177 -2.495 -14.194 1.00 0.00 C ATOM 607 CG2 VAL A 42 -14.107 -1.278 -12.241 1.00 0.00 C ATOM 0 H VAL A 42 -14.387 -3.700 -10.663 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.725 -3.131 -13.083 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.860 -3.031 -12.136 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.346 -1.790 -14.223 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.845 -3.463 -14.568 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -13.989 -2.124 -14.819 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.268 -0.584 -12.288 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.924 -0.902 -12.856 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.443 -1.371 -11.208 1.00 0.00 H new ATOM 617 N TYR A 43 -13.738 -5.774 -13.042 1.00 0.00 N ATOM 618 CA TYR A 43 -13.412 -6.992 -13.757 1.00 0.00 C ATOM 619 C TYR A 43 -14.700 -7.705 -14.094 1.00 0.00 C ATOM 620 O TYR A 43 -14.906 -8.113 -15.233 1.00 0.00 O ATOM 621 CB TYR A 43 -12.527 -7.897 -12.880 1.00 0.00 C ATOM 622 CG TYR A 43 -12.424 -9.275 -13.494 1.00 0.00 C ATOM 623 CD1 TYR A 43 -11.552 -9.504 -14.562 1.00 0.00 C ATOM 624 CD2 TYR A 43 -13.211 -10.321 -12.995 1.00 0.00 C ATOM 625 CE1 TYR A 43 -11.467 -10.780 -15.131 1.00 0.00 C ATOM 626 CE2 TYR A 43 -13.125 -11.595 -13.564 1.00 0.00 C ATOM 627 CZ TYR A 43 -12.254 -11.824 -14.634 1.00 0.00 C ATOM 628 OH TYR A 43 -12.175 -13.079 -15.199 1.00 0.00 O ATOM 0 H TYR A 43 -13.293 -5.689 -12.128 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.865 -6.753 -14.669 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -11.534 -7.460 -12.779 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -12.947 -7.968 -11.877 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -10.945 -8.698 -14.947 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -13.885 -10.143 -12.170 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -10.792 -10.959 -15.955 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -13.731 -12.402 -13.178 1.00 0.00 H new ATOM 0 HH TYR A 43 -13.077 -13.404 -15.401 1.00 0.00 H new ATOM 638 N THR A 44 -15.566 -7.857 -13.104 1.00 0.00 N ATOM 639 CA THR A 44 -16.825 -8.530 -13.336 1.00 0.00 C ATOM 640 C THR A 44 -17.614 -7.845 -14.446 1.00 0.00 C ATOM 641 O THR A 44 -18.049 -8.478 -15.393 1.00 0.00 O ATOM 642 CB THR A 44 -17.655 -8.608 -12.054 1.00 0.00 C ATOM 643 OG1 THR A 44 -16.996 -9.464 -11.130 1.00 0.00 O ATOM 644 CG2 THR A 44 -19.049 -9.167 -12.365 1.00 0.00 C ATOM 0 H THR A 44 -15.420 -7.528 -12.149 1.00 0.00 H new ATOM 0 HA THR A 44 -16.601 -9.548 -13.655 1.00 0.00 H new ATOM 0 HB THR A 44 -17.761 -7.610 -11.628 1.00 0.00 H new ATOM 0 HG1 THR A 44 -17.520 -9.519 -10.304 1.00 0.00 H new ATOM 0 HG21 THR A 44 -19.633 -9.219 -11.446 1.00 0.00 H new ATOM 0 HG22 THR A 44 -19.552 -8.514 -13.078 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.954 -10.166 -12.792 1.00 0.00 H new ATOM 652 N ALA A 45 -17.753 -6.522 -14.340 1.00 0.00 N ATOM 653 CA ALA A 45 -18.444 -5.677 -15.313 1.00 0.00 C ATOM 654 C ALA A 45 -17.820 -5.854 -16.692 1.00 0.00 C ATOM 655 O ALA A 45 -18.521 -6.022 -17.689 1.00 0.00 O ATOM 656 CB ALA A 45 -18.226 -4.232 -14.839 1.00 0.00 C ATOM 0 H ALA A 45 -17.377 -5.995 -13.552 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.501 -5.932 -15.384 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.720 -3.545 -15.526 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.645 -4.110 -13.840 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.158 -4.015 -14.814 1.00 0.00 H new ATOM 662 N CYS A 46 -16.479 -5.830 -16.725 1.00 0.00 N ATOM 663 CA CYS A 46 -15.766 -5.998 -17.992 1.00 0.00 C ATOM 664 C CYS A 46 -15.949 -7.423 -18.524 1.00 0.00 C ATOM 665 O CYS A 46 -16.201 -7.638 -19.713 1.00 0.00 O ATOM 666 CB CYS A 46 -14.261 -5.668 -17.830 1.00 0.00 C ATOM 667 SG CYS A 46 -14.049 -4.067 -16.996 1.00 0.00 S ATOM 0 H CYS A 46 -15.882 -5.699 -15.908 1.00 0.00 H new ATOM 0 HA CYS A 46 -16.189 -5.300 -18.714 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -13.770 -6.453 -17.254 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -13.781 -5.642 -18.808 1.00 0.00 H new ATOM 672 N HIS A 47 -15.807 -8.399 -17.628 1.00 0.00 N ATOM 673 CA HIS A 47 -15.926 -9.798 -18.015 1.00 0.00 C ATOM 674 C HIS A 47 -17.345 -10.120 -18.444 1.00 0.00 C ATOM 675 O HIS A 47 -17.558 -10.807 -19.442 1.00 0.00 O ATOM 676 CB HIS A 47 -15.508 -10.703 -16.853 1.00 0.00 C ATOM 677 CG HIS A 47 -15.455 -12.131 -17.316 1.00 0.00 C ATOM 678 ND1 HIS A 47 -15.199 -12.470 -18.634 1.00 0.00 N ATOM 679 CD2 HIS A 47 -15.620 -13.318 -16.646 1.00 0.00 C ATOM 680 CE1 HIS A 47 -15.217 -13.813 -18.716 1.00 0.00 C ATOM 681 NE2 HIS A 47 -15.469 -14.380 -17.532 1.00 0.00 N ATOM 0 H HIS A 47 -15.611 -8.246 -16.639 1.00 0.00 H new ATOM 0 HA HIS A 47 -15.263 -9.977 -18.862 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -14.533 -10.397 -16.474 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -16.215 -10.604 -16.030 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.834 -13.413 -15.592 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -15.048 -14.366 -19.628 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -15.536 -15.376 -17.323 1.00 0.00 H new ATOM 689 N GLU A 48 -18.315 -9.621 -17.690 1.00 0.00 N ATOM 690 CA GLU A 48 -19.714 -9.853 -17.994 1.00 0.00 C ATOM 691 C GLU A 48 -20.117 -9.128 -19.267 1.00 0.00 C ATOM 692 O GLU A 48 -21.056 -9.531 -19.954 1.00 0.00 O ATOM 693 CB GLU A 48 -20.587 -9.401 -16.829 1.00 0.00 C ATOM 694 CG GLU A 48 -20.219 -10.197 -15.562 1.00 0.00 C ATOM 695 CD GLU A 48 -20.875 -11.574 -15.576 1.00 0.00 C ATOM 696 OE1 GLU A 48 -21.840 -11.750 -16.300 1.00 0.00 O ATOM 697 OE2 GLU A 48 -20.396 -12.438 -14.860 1.00 0.00 O ATOM 0 H GLU A 48 -18.154 -9.051 -16.860 1.00 0.00 H new ATOM 0 HA GLU A 48 -19.859 -10.922 -18.150 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -20.450 -8.334 -16.652 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -21.639 -9.551 -17.071 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -19.136 -10.306 -15.498 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -20.537 -9.647 -14.677 1.00 0.00 H new ATOM 704 N ALA A 49 -19.421 -8.027 -19.564 1.00 0.00 N ATOM 705 CA ALA A 49 -19.731 -7.221 -20.733 1.00 0.00 C ATOM 706 C ALA A 49 -19.182 -7.872 -21.985 1.00 0.00 C ATOM 707 O ALA A 49 -19.667 -7.619 -23.088 1.00 0.00 O ATOM 708 CB ALA A 49 -19.119 -5.825 -20.576 1.00 0.00 C ATOM 0 H ALA A 49 -18.641 -7.679 -19.007 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.814 -7.139 -20.822 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.354 -5.224 -21.454 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.530 -5.345 -19.688 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.037 -5.911 -20.474 1.00 0.00 H new ATOM 714 N GLN A 50 -18.167 -8.725 -21.818 1.00 0.00 N ATOM 715 CA GLN A 50 -17.569 -9.413 -22.964 1.00 0.00 C ATOM 716 C GLN A 50 -18.262 -10.757 -23.185 1.00 0.00 C ATOM 717 O GLN A 50 -18.373 -11.572 -22.268 1.00 0.00 O ATOM 718 CB GLN A 50 -16.072 -9.600 -22.728 1.00 0.00 C ATOM 719 CG GLN A 50 -15.381 -8.240 -22.728 1.00 0.00 C ATOM 720 CD GLN A 50 -15.441 -7.633 -24.121 1.00 0.00 C ATOM 721 OE1 GLN A 50 -15.064 -8.281 -25.096 1.00 0.00 O ATOM 722 NE2 GLN A 50 -15.899 -6.422 -24.273 1.00 0.00 N ATOM 0 H GLN A 50 -17.748 -8.953 -20.916 1.00 0.00 H new ATOM 0 HA GLN A 50 -17.703 -8.810 -23.862 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -15.904 -10.105 -21.777 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.647 -10.235 -23.505 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.864 -7.576 -22.011 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -14.343 -8.349 -22.413 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -16.210 -5.889 -23.461 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.946 -6.008 -25.204 1.00 0.00 H new ATOM 731 N LYS A 51 -18.693 -10.990 -24.423 1.00 0.00 N ATOM 732 CA LYS A 51 -19.342 -12.246 -24.778 1.00 0.00 C ATOM 733 C LYS A 51 -18.363 -13.405 -24.621 1.00 0.00 C ATOM 734 O LYS A 51 -17.265 -13.299 -25.146 1.00 0.00 O ATOM 735 CB LYS A 51 -19.833 -12.192 -26.227 1.00 0.00 C ATOM 736 CG LYS A 51 -20.947 -11.153 -26.347 1.00 0.00 C ATOM 737 CD LYS A 51 -21.433 -11.086 -27.797 1.00 0.00 C ATOM 738 CE LYS A 51 -22.560 -10.059 -27.909 1.00 0.00 C ATOM 739 NZ LYS A 51 -23.019 -9.978 -29.324 1.00 0.00 N ATOM 0 H LYS A 51 -18.604 -10.327 -25.193 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.192 -12.398 -24.113 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.009 -11.936 -26.893 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.199 -13.171 -26.535 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.774 -11.414 -25.687 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.583 -10.176 -26.030 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.609 -10.811 -28.456 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.786 -12.066 -28.119 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.390 -10.342 -27.262 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.212 -9.083 -27.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.786 -9.280 -29.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.225 -9.689 -29.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.367 -10.909 -29.630 1.00 0.00 H new TER 753 LYS A 51