USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 379 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 36 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 41 TYR OH : rot 180:sc= 0.0171 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc=0.000283 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -106:sc= -2.17 (180deg=-5.08!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00427 USER MOD Single : A 7 ASN : amide:sc= -0.692 K(o=-0.69,f=-2.9) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.234 USER MOD Single : A 23 LYS NZ :NH3+ -108:sc= -2.06! (180deg=-4.91!) USER MOD Single : A 24 LYS NZ :NH3+ 177:sc= -2.92! (180deg=-3!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 31 ASN : amide:sc= -1.02 K(o=-1,f=-10!) USER MOD Single : A 37 LYS NZ :NH3+ -124:sc= -0.581 (180deg=-0.75) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 100:sc= 0.557 USER MOD Single : A 47 THR OG1 : rot 118:sc= 0.844 USER MOD Single : A 54 SER OG : rot 43:sc= -0.0581 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.593 12.901 -7.550 1.00 0.00 N ATOM 2 CA MET A 1 -10.074 11.533 -7.834 1.00 0.00 C ATOM 3 C MET A 1 -9.932 10.770 -6.511 1.00 0.00 C ATOM 4 O MET A 1 -9.388 11.292 -5.556 1.00 0.00 O ATOM 5 CB MET A 1 -8.689 11.622 -8.533 1.00 0.00 C ATOM 6 CG MET A 1 -8.784 11.075 -9.967 1.00 0.00 C ATOM 7 SD MET A 1 -7.265 11.089 -10.955 1.00 0.00 S ATOM 8 CE MET A 1 -7.393 12.774 -11.606 1.00 0.00 C ATOM 0 H1 MET A 1 -10.365 13.531 -8.345 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.625 12.862 -7.424 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.152 13.266 -6.682 1.00 0.00 H new ATOM 0 HA MET A 1 -10.768 11.011 -8.493 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.349 12.657 -8.552 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.950 11.054 -7.967 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.145 10.048 -9.915 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.540 11.651 -10.500 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.538 12.982 -12.249 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.313 12.872 -12.182 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.405 13.484 -10.779 1.00 0.00 H new ATOM 20 N LYS A 2 -10.425 9.556 -6.502 1.00 0.00 N ATOM 21 CA LYS A 2 -10.348 8.706 -5.273 1.00 0.00 C ATOM 22 C LYS A 2 -8.961 8.050 -5.201 1.00 0.00 C ATOM 23 O LYS A 2 -8.799 6.881 -5.494 1.00 0.00 O ATOM 24 CB LYS A 2 -11.453 7.628 -5.336 1.00 0.00 C ATOM 25 CG LYS A 2 -12.843 8.304 -5.368 1.00 0.00 C ATOM 26 CD LYS A 2 -13.996 7.267 -5.251 1.00 0.00 C ATOM 27 CE LYS A 2 -14.054 6.301 -6.458 1.00 0.00 C ATOM 28 NZ LYS A 2 -12.919 5.333 -6.434 1.00 0.00 N ATOM 0 H LYS A 2 -10.881 9.114 -7.300 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.497 9.315 -4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.319 7.008 -6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.379 6.968 -4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.916 9.022 -4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.952 8.865 -6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.869 6.690 -4.335 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.946 7.794 -5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.999 5.757 -6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.027 6.873 -7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.224 5.595 -7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.465 5.353 -5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.276 4.375 -6.625 1.00 0.00 H new ATOM 42 N ALA A 3 -8.008 8.857 -4.801 1.00 0.00 N ATOM 43 CA ALA A 3 -6.588 8.440 -4.656 1.00 0.00 C ATOM 44 C ALA A 3 -5.716 9.661 -4.340 1.00 0.00 C ATOM 45 O ALA A 3 -5.948 10.748 -4.833 1.00 0.00 O ATOM 46 CB ALA A 3 -6.049 7.797 -5.957 1.00 0.00 C ATOM 0 H ALA A 3 -8.172 9.834 -4.559 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.546 7.710 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.009 7.505 -5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.643 6.916 -6.201 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.115 8.517 -6.773 1.00 0.00 H new ATOM 52 N CYS A 4 -4.733 9.414 -3.514 1.00 0.00 N ATOM 53 CA CYS A 4 -3.757 10.452 -3.070 1.00 0.00 C ATOM 54 C CYS A 4 -2.849 10.897 -4.233 1.00 0.00 C ATOM 55 O CYS A 4 -3.135 10.647 -5.388 1.00 0.00 O ATOM 56 CB CYS A 4 -2.942 9.836 -1.932 1.00 0.00 C ATOM 57 SG CYS A 4 -3.863 9.247 -0.491 1.00 0.00 S ATOM 0 H CYS A 4 -4.561 8.492 -3.112 1.00 0.00 H new ATOM 0 HA CYS A 4 -4.275 11.348 -2.729 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -2.374 8.999 -2.337 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -2.219 10.578 -1.592 1.00 0.00 H new ATOM 62 N THR A 5 -1.774 11.550 -3.869 1.00 0.00 N ATOM 63 CA THR A 5 -0.762 12.067 -4.837 1.00 0.00 C ATOM 64 C THR A 5 -0.099 10.944 -5.678 1.00 0.00 C ATOM 65 O THR A 5 0.770 11.215 -6.482 1.00 0.00 O ATOM 66 CB THR A 5 0.276 12.835 -3.998 1.00 0.00 C ATOM 67 OG1 THR A 5 -0.490 13.736 -3.208 1.00 0.00 O ATOM 68 CG2 THR A 5 1.117 13.780 -4.847 1.00 0.00 C ATOM 0 H THR A 5 -1.549 11.754 -2.895 1.00 0.00 H new ATOM 0 HA THR A 5 -1.241 12.713 -5.573 1.00 0.00 H new ATOM 0 HB THR A 5 0.906 12.115 -3.477 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.109 14.264 -2.640 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.834 14.299 -4.211 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.651 13.209 -5.606 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.468 14.509 -5.332 1.00 0.00 H new ATOM 76 N LEU A 6 -0.531 9.721 -5.465 1.00 0.00 N ATOM 77 CA LEU A 6 -0.003 8.519 -6.193 1.00 0.00 C ATOM 78 C LEU A 6 1.471 8.222 -5.869 1.00 0.00 C ATOM 79 O LEU A 6 2.088 7.392 -6.509 1.00 0.00 O ATOM 80 CB LEU A 6 -0.167 8.730 -7.733 1.00 0.00 C ATOM 81 CG LEU A 6 -1.626 9.145 -8.100 1.00 0.00 C ATOM 82 CD1 LEU A 6 -1.730 9.326 -9.627 1.00 0.00 C ATOM 83 CD2 LEU A 6 -2.647 8.073 -7.646 1.00 0.00 C ATOM 0 H LEU A 6 -1.260 9.499 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.584 7.660 -5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.527 9.499 -8.072 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.094 7.811 -8.257 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.857 10.078 -7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.747 9.616 -9.891 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.036 10.102 -9.949 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.480 8.388 -10.122 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.654 8.392 -7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.422 7.126 -8.136 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.585 7.946 -6.565 1.00 0.00 H new ATOM 95 N ASN A 7 1.989 8.912 -4.881 1.00 0.00 N ATOM 96 CA ASN A 7 3.394 8.740 -4.445 1.00 0.00 C ATOM 97 C ASN A 7 3.703 7.283 -4.095 1.00 0.00 C ATOM 98 O ASN A 7 2.815 6.502 -3.819 1.00 0.00 O ATOM 99 CB ASN A 7 3.651 9.634 -3.217 1.00 0.00 C ATOM 100 CG ASN A 7 3.388 11.113 -3.552 1.00 0.00 C ATOM 101 OD1 ASN A 7 3.305 11.514 -4.696 1.00 0.00 O ATOM 102 ND2 ASN A 7 3.251 11.960 -2.569 1.00 0.00 N ATOM 0 H ASN A 7 1.470 9.609 -4.347 1.00 0.00 H new ATOM 0 HA ASN A 7 4.047 9.028 -5.269 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.007 9.323 -2.394 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.680 9.510 -2.881 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.076 12.946 -2.766 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.318 11.637 -1.604 1.00 0.00 H new ATOM 109 N CYS A 8 4.970 6.982 -4.124 1.00 0.00 N ATOM 110 CA CYS A 8 5.450 5.602 -3.810 1.00 0.00 C ATOM 111 C CYS A 8 6.009 5.470 -2.391 1.00 0.00 C ATOM 112 O CYS A 8 6.852 6.243 -1.978 1.00 0.00 O ATOM 113 CB CYS A 8 6.536 5.209 -4.821 1.00 0.00 C ATOM 114 SG CYS A 8 6.668 6.161 -6.354 1.00 0.00 S ATOM 0 H CYS A 8 5.710 7.645 -4.356 1.00 0.00 H new ATOM 0 HA CYS A 8 4.589 4.936 -3.877 1.00 0.00 H new ATOM 0 HB2 CYS A 8 7.499 5.263 -4.312 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.376 4.165 -5.091 1.00 0.00 H new ATOM 119 N ASP A 9 5.509 4.482 -1.693 1.00 0.00 N ATOM 120 CA ASP A 9 5.951 4.212 -0.294 1.00 0.00 C ATOM 121 C ASP A 9 7.014 3.091 -0.356 1.00 0.00 C ATOM 122 O ASP A 9 6.743 2.052 -0.926 1.00 0.00 O ATOM 123 CB ASP A 9 4.734 3.771 0.511 1.00 0.00 C ATOM 124 CG ASP A 9 5.139 3.345 1.928 1.00 0.00 C ATOM 125 OD1 ASP A 9 5.159 4.212 2.787 1.00 0.00 O ATOM 126 OD2 ASP A 9 5.406 2.166 2.067 1.00 0.00 O ATOM 0 H ASP A 9 4.799 3.839 -2.043 1.00 0.00 H new ATOM 0 HA ASP A 9 6.382 5.093 0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.013 4.587 0.564 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.240 2.942 0.005 1.00 0.00 H new ATOM 131 N PRO A 10 8.177 3.311 0.223 1.00 0.00 N ATOM 132 CA PRO A 10 9.357 2.410 0.035 1.00 0.00 C ATOM 133 C PRO A 10 9.074 0.966 0.475 1.00 0.00 C ATOM 134 O PRO A 10 9.763 0.050 0.072 1.00 0.00 O ATOM 135 CB PRO A 10 10.495 3.041 0.843 1.00 0.00 C ATOM 136 CG PRO A 10 9.884 4.175 1.680 1.00 0.00 C ATOM 137 CD PRO A 10 8.478 4.459 1.133 1.00 0.00 C ATOM 0 HA PRO A 10 9.615 2.327 -1.021 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.967 2.299 1.487 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.270 3.427 0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.834 3.890 2.731 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.504 5.069 1.622 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.747 4.526 1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.448 5.407 0.596 1.00 0.00 H new ATOM 145 N ARG A 11 8.060 0.821 1.288 1.00 0.00 N ATOM 146 CA ARG A 11 7.650 -0.507 1.810 1.00 0.00 C ATOM 147 C ARG A 11 6.567 -1.094 0.889 1.00 0.00 C ATOM 148 O ARG A 11 6.476 -2.297 0.760 1.00 0.00 O ATOM 149 CB ARG A 11 7.175 -0.243 3.252 1.00 0.00 C ATOM 150 CG ARG A 11 6.218 -1.317 3.798 1.00 0.00 C ATOM 151 CD ARG A 11 5.409 -0.672 4.926 1.00 0.00 C ATOM 152 NE ARG A 11 4.612 0.446 4.324 1.00 0.00 N ATOM 153 CZ ARG A 11 4.114 1.420 5.043 1.00 0.00 C ATOM 154 NH1 ARG A 11 4.290 1.454 6.336 1.00 0.00 N ATOM 155 NH2 ARG A 11 3.441 2.349 4.422 1.00 0.00 N ATOM 0 H ARG A 11 7.485 1.596 1.619 1.00 0.00 H new ATOM 0 HA ARG A 11 8.448 -1.249 1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.045 -0.179 3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.677 0.726 3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.558 -1.680 3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.776 -2.177 4.168 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.751 -1.404 5.393 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.071 -0.295 5.706 1.00 0.00 H new ATOM 0 HE ARG A 11 4.452 0.448 3.317 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.821 0.716 6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.897 2.219 6.884 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.318 2.300 3.411 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.038 3.124 4.948 1.00 0.00 H new ATOM 169 N ILE A 12 5.786 -0.240 0.271 1.00 0.00 N ATOM 170 CA ILE A 12 4.702 -0.725 -0.645 1.00 0.00 C ATOM 171 C ILE A 12 5.312 -1.217 -1.960 1.00 0.00 C ATOM 172 O ILE A 12 6.195 -0.588 -2.512 1.00 0.00 O ATOM 173 CB ILE A 12 3.709 0.440 -0.925 1.00 0.00 C ATOM 174 CG1 ILE A 12 2.906 0.799 0.363 1.00 0.00 C ATOM 175 CG2 ILE A 12 2.748 0.094 -2.106 1.00 0.00 C ATOM 176 CD1 ILE A 12 1.787 -0.198 0.638 1.00 0.00 C ATOM 0 H ILE A 12 5.852 0.774 0.361 1.00 0.00 H new ATOM 0 HA ILE A 12 4.170 -1.551 -0.174 1.00 0.00 H new ATOM 0 HB ILE A 12 4.290 1.314 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.584 0.827 1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.483 1.798 0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.067 0.928 -2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.332 -0.089 -3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.174 -0.799 -1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.255 0.092 1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.093 -0.207 -0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.211 -1.194 0.769 1.00 0.00 H new ATOM 188 N ALA A 13 4.802 -2.336 -2.404 1.00 0.00 N ATOM 189 CA ALA A 13 5.279 -2.954 -3.675 1.00 0.00 C ATOM 190 C ALA A 13 4.170 -2.807 -4.711 1.00 0.00 C ATOM 191 O ALA A 13 4.352 -2.182 -5.739 1.00 0.00 O ATOM 192 CB ALA A 13 5.582 -4.430 -3.431 1.00 0.00 C ATOM 0 H ALA A 13 4.063 -2.856 -1.931 1.00 0.00 H new ATOM 0 HA ALA A 13 6.187 -2.466 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.931 -4.888 -4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.354 -4.521 -2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.677 -4.936 -3.095 1.00 0.00 H new ATOM 198 N TYR A 14 3.044 -3.393 -4.394 1.00 0.00 N ATOM 199 CA TYR A 14 1.872 -3.331 -5.320 1.00 0.00 C ATOM 200 C TYR A 14 0.596 -3.664 -4.552 1.00 0.00 C ATOM 201 O TYR A 14 0.632 -3.843 -3.350 1.00 0.00 O ATOM 202 CB TYR A 14 2.086 -4.344 -6.487 1.00 0.00 C ATOM 203 CG TYR A 14 2.369 -5.769 -5.992 1.00 0.00 C ATOM 204 CD1 TYR A 14 3.648 -6.138 -5.629 1.00 0.00 C ATOM 205 CD2 TYR A 14 1.356 -6.699 -5.906 1.00 0.00 C ATOM 206 CE1 TYR A 14 3.912 -7.415 -5.185 1.00 0.00 C ATOM 207 CE2 TYR A 14 1.618 -7.979 -5.463 1.00 0.00 C ATOM 208 CZ TYR A 14 2.896 -8.345 -5.099 1.00 0.00 C ATOM 209 OH TYR A 14 3.156 -9.625 -4.656 1.00 0.00 O ATOM 0 H TYR A 14 2.885 -3.913 -3.531 1.00 0.00 H new ATOM 0 HA TYR A 14 1.778 -2.327 -5.734 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.199 -4.354 -7.121 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.917 -4.007 -7.107 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.451 -5.418 -5.694 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.350 -6.424 -6.187 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.918 -7.689 -4.903 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.816 -8.699 -5.401 1.00 0.00 H new ATOM 0 HH TYR A 14 2.326 -10.147 -4.657 1.00 0.00 H new ATOM 219 N GLY A 15 -0.493 -3.734 -5.272 1.00 0.00 N ATOM 220 CA GLY A 15 -1.798 -4.052 -4.629 1.00 0.00 C ATOM 221 C GLY A 15 -2.777 -4.671 -5.617 1.00 0.00 C ATOM 222 O GLY A 15 -2.684 -4.462 -6.813 1.00 0.00 O ATOM 0 H GLY A 15 -0.533 -3.584 -6.280 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.636 -4.739 -3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.229 -3.142 -4.211 1.00 0.00 H new ATOM 226 N VAL A 16 -3.690 -5.422 -5.058 1.00 0.00 N ATOM 227 CA VAL A 16 -4.743 -6.116 -5.867 1.00 0.00 C ATOM 228 C VAL A 16 -6.131 -5.830 -5.290 1.00 0.00 C ATOM 229 O VAL A 16 -6.330 -5.885 -4.092 1.00 0.00 O ATOM 230 CB VAL A 16 -4.470 -7.642 -5.860 1.00 0.00 C ATOM 231 CG1 VAL A 16 -5.352 -8.317 -6.929 1.00 0.00 C ATOM 232 CG2 VAL A 16 -3.003 -7.908 -6.271 1.00 0.00 C ATOM 0 H VAL A 16 -3.753 -5.588 -4.054 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.712 -5.744 -6.891 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.677 -8.030 -4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.165 -9.391 -6.930 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.402 -8.132 -6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.113 -7.906 -7.910 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.813 -8.981 -6.266 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.828 -7.513 -7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.333 -7.417 -5.565 1.00 0.00 H new ATOM 242 N CYS A 17 -7.042 -5.536 -6.185 1.00 0.00 N ATOM 243 CA CYS A 17 -8.450 -5.227 -5.796 1.00 0.00 C ATOM 244 C CYS A 17 -9.401 -6.367 -6.219 1.00 0.00 C ATOM 245 O CYS A 17 -9.103 -7.073 -7.162 1.00 0.00 O ATOM 246 CB CYS A 17 -8.837 -3.912 -6.475 1.00 0.00 C ATOM 247 SG CYS A 17 -7.751 -2.490 -6.196 1.00 0.00 S ATOM 0 H CYS A 17 -6.863 -5.497 -7.188 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.532 -5.132 -4.713 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.893 -4.089 -7.549 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.840 -3.642 -6.144 1.00 0.00 H new ATOM 252 N PRO A 18 -10.510 -6.523 -5.523 1.00 0.00 N ATOM 253 CA PRO A 18 -11.544 -7.547 -5.866 1.00 0.00 C ATOM 254 C PRO A 18 -12.030 -7.381 -7.315 1.00 0.00 C ATOM 255 O PRO A 18 -12.147 -6.272 -7.800 1.00 0.00 O ATOM 256 CB PRO A 18 -12.678 -7.362 -4.853 1.00 0.00 C ATOM 257 CG PRO A 18 -12.277 -6.214 -3.910 1.00 0.00 C ATOM 258 CD PRO A 18 -10.882 -5.719 -4.317 1.00 0.00 C ATOM 0 HA PRO A 18 -11.140 -8.558 -5.809 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.613 -7.130 -5.363 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.842 -8.281 -4.290 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.001 -5.402 -3.972 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.271 -6.557 -2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.894 -4.653 -4.544 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.163 -5.865 -3.511 1.00 0.00 H new ATOM 266 N ARG A 19 -12.292 -8.499 -7.948 1.00 0.00 N ATOM 267 CA ARG A 19 -12.775 -8.535 -9.372 1.00 0.00 C ATOM 268 C ARG A 19 -11.808 -7.738 -10.279 1.00 0.00 C ATOM 269 O ARG A 19 -12.148 -7.245 -11.336 1.00 0.00 O ATOM 270 CB ARG A 19 -14.240 -7.958 -9.367 1.00 0.00 C ATOM 271 CG ARG A 19 -14.883 -7.828 -10.779 1.00 0.00 C ATOM 272 CD ARG A 19 -14.822 -9.166 -11.546 1.00 0.00 C ATOM 273 NE ARG A 19 -15.537 -10.208 -10.746 1.00 0.00 N ATOM 274 CZ ARG A 19 -15.519 -11.471 -11.093 1.00 0.00 C ATOM 275 NH1 ARG A 19 -14.872 -11.860 -12.159 1.00 0.00 N ATOM 276 NH2 ARG A 19 -16.165 -12.321 -10.344 1.00 0.00 N ATOM 0 H ARG A 19 -12.188 -9.421 -7.524 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.793 -9.546 -9.778 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -14.869 -8.602 -8.752 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -14.230 -6.976 -8.894 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -15.921 -7.509 -10.681 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -14.365 -7.056 -11.348 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -15.283 -9.060 -12.528 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -13.786 -9.461 -11.711 1.00 0.00 H new ATOM 0 HE ARG A 19 -16.051 -9.929 -9.910 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -14.374 -11.178 -12.731 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.865 -12.846 -12.420 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -16.664 -11.995 -9.516 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.171 -13.312 -10.586 1.00 0.00 H new ATOM 290 N SER A 20 -10.598 -7.661 -9.794 1.00 0.00 N ATOM 291 CA SER A 20 -9.483 -6.942 -10.484 1.00 0.00 C ATOM 292 C SER A 20 -8.185 -7.582 -9.975 1.00 0.00 C ATOM 293 O SER A 20 -7.316 -6.937 -9.418 1.00 0.00 O ATOM 294 CB SER A 20 -9.543 -5.444 -10.114 1.00 0.00 C ATOM 295 OG SER A 20 -10.785 -4.986 -10.627 1.00 0.00 O ATOM 0 H SER A 20 -10.324 -8.086 -8.908 1.00 0.00 H new ATOM 0 HA SER A 20 -9.548 -7.018 -11.569 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.486 -5.302 -9.035 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.709 -4.896 -10.552 1.00 0.00 H new ATOM 0 HG SER A 20 -10.891 -4.033 -10.424 1.00 0.00 H new ATOM 301 N GLU A 21 -8.118 -8.867 -10.200 1.00 0.00 N ATOM 302 CA GLU A 21 -6.950 -9.680 -9.786 1.00 0.00 C ATOM 303 C GLU A 21 -5.751 -9.422 -10.706 1.00 0.00 C ATOM 304 O GLU A 21 -4.848 -8.704 -10.321 1.00 0.00 O ATOM 305 CB GLU A 21 -7.381 -11.172 -9.812 1.00 0.00 C ATOM 306 CG GLU A 21 -8.361 -11.488 -8.641 1.00 0.00 C ATOM 307 CD GLU A 21 -9.607 -10.575 -8.665 1.00 0.00 C ATOM 308 OE1 GLU A 21 -10.386 -10.727 -9.592 1.00 0.00 O ATOM 309 OE2 GLU A 21 -9.707 -9.771 -7.753 1.00 0.00 O ATOM 0 H GLU A 21 -8.851 -9.398 -10.669 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.632 -9.406 -8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.860 -11.400 -10.764 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.501 -11.810 -9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.674 -12.530 -8.702 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.841 -11.367 -7.691 1.00 0.00 H new ATOM 316 N GLU A 22 -5.783 -10.009 -11.880 1.00 0.00 N ATOM 317 CA GLU A 22 -4.689 -9.860 -12.901 1.00 0.00 C ATOM 318 C GLU A 22 -3.334 -10.372 -12.357 1.00 0.00 C ATOM 319 O GLU A 22 -3.155 -10.532 -11.165 1.00 0.00 O ATOM 320 CB GLU A 22 -4.665 -8.333 -13.305 1.00 0.00 C ATOM 321 CG GLU A 22 -3.529 -7.944 -14.295 1.00 0.00 C ATOM 322 CD GLU A 22 -2.125 -7.883 -13.652 1.00 0.00 C ATOM 323 OE1 GLU A 22 -2.039 -7.593 -12.467 1.00 0.00 O ATOM 324 OE2 GLU A 22 -1.200 -8.138 -14.407 1.00 0.00 O ATOM 0 H GLU A 22 -6.550 -10.608 -12.185 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.875 -10.472 -13.784 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.624 -8.074 -13.753 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.563 -7.733 -12.401 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.511 -8.665 -15.112 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.759 -6.972 -14.732 1.00 0.00 H new ATOM 331 N LYS A 23 -2.415 -10.623 -13.257 1.00 0.00 N ATOM 332 CA LYS A 23 -1.056 -11.127 -12.874 1.00 0.00 C ATOM 333 C LYS A 23 -0.323 -10.137 -11.946 1.00 0.00 C ATOM 334 O LYS A 23 0.348 -9.230 -12.401 1.00 0.00 O ATOM 335 CB LYS A 23 -0.241 -11.353 -14.172 1.00 0.00 C ATOM 336 CG LYS A 23 -0.393 -12.819 -14.636 1.00 0.00 C ATOM 337 CD LYS A 23 0.494 -13.135 -15.874 1.00 0.00 C ATOM 338 CE LYS A 23 0.067 -12.340 -17.134 1.00 0.00 C ATOM 339 NZ LYS A 23 0.422 -10.897 -17.013 1.00 0.00 N ATOM 0 H LYS A 23 -2.551 -10.498 -14.260 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.162 -12.061 -12.322 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.588 -10.677 -14.953 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.810 -11.124 -13.997 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.125 -13.488 -13.818 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.437 -13.016 -14.879 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.533 -12.905 -15.639 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.444 -14.202 -16.089 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.551 -12.763 -18.014 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.008 -12.441 -17.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.443 -10.338 -16.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.059 -10.763 -16.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.898 -10.582 -17.883 1.00 0.00 H new ATOM 353 N LYS A 24 -0.480 -10.350 -10.663 1.00 0.00 N ATOM 354 CA LYS A 24 0.170 -9.474 -9.642 1.00 0.00 C ATOM 355 C LYS A 24 1.671 -9.793 -9.585 1.00 0.00 C ATOM 356 O LYS A 24 2.147 -10.514 -8.728 1.00 0.00 O ATOM 357 CB LYS A 24 -0.487 -9.705 -8.229 1.00 0.00 C ATOM 358 CG LYS A 24 -1.333 -11.009 -8.050 1.00 0.00 C ATOM 359 CD LYS A 24 -0.463 -12.299 -7.898 1.00 0.00 C ATOM 360 CE LYS A 24 0.054 -12.874 -9.235 1.00 0.00 C ATOM 361 NZ LYS A 24 -1.088 -13.241 -10.118 1.00 0.00 N ATOM 0 H LYS A 24 -1.041 -11.108 -10.274 1.00 0.00 H new ATOM 0 HA LYS A 24 0.031 -8.429 -9.920 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.307 -9.709 -7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.128 -8.851 -8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.968 -10.903 -7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.994 -11.125 -8.909 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.390 -12.075 -7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.051 -13.063 -7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.686 -12.140 -9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.673 -13.751 -9.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.725 -13.579 -11.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.647 -13.994 -9.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.690 -12.407 -10.271 1.00 0.00 H new ATOM 375 N ASN A 25 2.369 -9.222 -10.532 1.00 0.00 N ATOM 376 CA ASN A 25 3.839 -9.416 -10.643 1.00 0.00 C ATOM 377 C ASN A 25 4.443 -8.119 -11.212 1.00 0.00 C ATOM 378 O ASN A 25 5.295 -8.129 -12.080 1.00 0.00 O ATOM 379 CB ASN A 25 4.081 -10.639 -11.572 1.00 0.00 C ATOM 380 CG ASN A 25 4.454 -11.849 -10.710 1.00 0.00 C ATOM 381 OD1 ASN A 25 3.605 -12.593 -10.261 1.00 0.00 O ATOM 382 ND2 ASN A 25 5.713 -12.080 -10.454 1.00 0.00 N ATOM 0 H ASN A 25 1.969 -8.616 -11.248 1.00 0.00 H new ATOM 0 HA ASN A 25 4.313 -9.616 -9.682 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.185 -10.853 -12.155 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.879 -10.421 -12.282 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.978 -12.881 -9.881 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.432 -11.460 -10.827 1.00 0.00 H new ATOM 389 N ASP A 26 3.957 -7.026 -10.678 1.00 0.00 N ATOM 390 CA ASP A 26 4.421 -5.672 -11.102 1.00 0.00 C ATOM 391 C ASP A 26 4.404 -4.768 -9.866 1.00 0.00 C ATOM 392 O ASP A 26 3.356 -4.357 -9.408 1.00 0.00 O ATOM 393 CB ASP A 26 3.463 -5.142 -12.200 1.00 0.00 C ATOM 394 CG ASP A 26 4.287 -4.762 -13.439 1.00 0.00 C ATOM 395 OD1 ASP A 26 4.525 -5.664 -14.228 1.00 0.00 O ATOM 396 OD2 ASP A 26 4.634 -3.595 -13.526 1.00 0.00 O ATOM 0 H ASP A 26 3.242 -7.017 -9.950 1.00 0.00 H new ATOM 0 HA ASP A 26 5.430 -5.699 -11.513 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.726 -5.903 -12.456 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.912 -4.276 -11.833 1.00 0.00 H new ATOM 401 N ARG A 27 5.583 -4.494 -9.369 1.00 0.00 N ATOM 402 CA ARG A 27 5.732 -3.630 -8.164 1.00 0.00 C ATOM 403 C ARG A 27 5.677 -2.162 -8.607 1.00 0.00 C ATOM 404 O ARG A 27 6.685 -1.530 -8.858 1.00 0.00 O ATOM 405 CB ARG A 27 7.086 -4.009 -7.483 1.00 0.00 C ATOM 406 CG ARG A 27 7.524 -2.972 -6.404 1.00 0.00 C ATOM 407 CD ARG A 27 8.835 -2.264 -6.800 1.00 0.00 C ATOM 408 NE ARG A 27 9.145 -1.248 -5.743 1.00 0.00 N ATOM 409 CZ ARG A 27 8.700 -0.016 -5.807 1.00 0.00 C ATOM 410 NH1 ARG A 27 7.963 0.382 -6.809 1.00 0.00 N ATOM 411 NH2 ARG A 27 9.018 0.799 -4.839 1.00 0.00 N ATOM 0 H ARG A 27 6.462 -4.839 -9.755 1.00 0.00 H new ATOM 0 HA ARG A 27 4.931 -3.777 -7.439 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.994 -4.992 -7.021 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.862 -4.086 -8.244 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.736 -2.231 -6.269 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.656 -3.476 -5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.648 -2.985 -6.886 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.731 -1.783 -7.773 1.00 0.00 H new ATOM 0 HE ARG A 27 9.721 -1.524 -4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.725 -0.269 -7.557 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.625 1.344 -6.843 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.595 0.471 -4.065 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.689 1.764 -4.856 1.00 0.00 H new ATOM 425 N ILE A 28 4.468 -1.672 -8.698 1.00 0.00 N ATOM 426 CA ILE A 28 4.230 -0.262 -9.109 1.00 0.00 C ATOM 427 C ILE A 28 4.846 0.682 -8.059 1.00 0.00 C ATOM 428 O ILE A 28 5.267 0.260 -6.998 1.00 0.00 O ATOM 429 CB ILE A 28 2.701 0.038 -9.217 1.00 0.00 C ATOM 430 CG1 ILE A 28 1.847 -1.205 -9.623 1.00 0.00 C ATOM 431 CG2 ILE A 28 2.459 1.083 -10.289 1.00 0.00 C ATOM 432 CD1 ILE A 28 1.324 -1.891 -8.368 1.00 0.00 C ATOM 0 H ILE A 28 3.620 -2.203 -8.500 1.00 0.00 H new ATOM 0 HA ILE A 28 4.690 -0.105 -10.085 1.00 0.00 H new ATOM 0 HB ILE A 28 2.399 0.369 -8.223 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.015 -0.897 -10.256 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.451 -1.900 -10.206 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.391 1.290 -10.361 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.989 1.999 -10.030 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.822 0.712 -11.247 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.728 -2.759 -8.649 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.164 -2.212 -7.752 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.706 -1.194 -7.803 1.00 0.00 H new ATOM 444 N CYS A 29 4.861 1.939 -8.405 1.00 0.00 N ATOM 445 CA CYS A 29 5.424 2.998 -7.516 1.00 0.00 C ATOM 446 C CYS A 29 4.227 3.729 -6.881 1.00 0.00 C ATOM 447 O CYS A 29 3.870 4.826 -7.270 1.00 0.00 O ATOM 448 CB CYS A 29 6.290 3.933 -8.397 1.00 0.00 C ATOM 449 SG CYS A 29 7.610 4.886 -7.605 1.00 0.00 S ATOM 0 H CYS A 29 4.496 2.287 -9.292 1.00 0.00 H new ATOM 0 HA CYS A 29 6.056 2.607 -6.719 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.744 3.325 -9.180 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.621 4.639 -8.889 1.00 0.00 H new ATOM 454 N THR A 30 3.641 3.074 -5.910 1.00 0.00 N ATOM 455 CA THR A 30 2.458 3.639 -5.188 1.00 0.00 C ATOM 456 C THR A 30 2.611 3.470 -3.666 1.00 0.00 C ATOM 457 O THR A 30 3.520 2.809 -3.199 1.00 0.00 O ATOM 458 CB THR A 30 1.193 2.904 -5.728 1.00 0.00 C ATOM 459 OG1 THR A 30 0.084 3.487 -5.055 1.00 0.00 O ATOM 460 CG2 THR A 30 1.158 1.412 -5.329 1.00 0.00 C ATOM 0 H THR A 30 3.938 2.155 -5.581 1.00 0.00 H new ATOM 0 HA THR A 30 2.370 4.711 -5.367 1.00 0.00 H new ATOM 0 HB THR A 30 1.184 2.989 -6.815 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.744 3.061 -5.359 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.257 0.949 -5.731 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.036 0.907 -5.732 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.157 1.326 -4.242 1.00 0.00 H new ATOM 468 N ASN A 31 1.706 4.088 -2.951 1.00 0.00 N ATOM 469 CA ASN A 31 1.703 4.032 -1.457 1.00 0.00 C ATOM 470 C ASN A 31 0.306 3.680 -0.934 1.00 0.00 C ATOM 471 O ASN A 31 -0.668 3.802 -1.653 1.00 0.00 O ATOM 472 CB ASN A 31 2.152 5.411 -0.898 1.00 0.00 C ATOM 473 CG ASN A 31 1.262 6.573 -1.366 1.00 0.00 C ATOM 474 OD1 ASN A 31 0.470 6.460 -2.279 1.00 0.00 O ATOM 475 ND2 ASN A 31 1.366 7.723 -0.759 1.00 0.00 N ATOM 0 H ASN A 31 0.950 4.643 -3.351 1.00 0.00 H new ATOM 0 HA ASN A 31 2.394 3.258 -1.125 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.146 5.373 0.191 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.180 5.603 -1.205 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.787 8.509 -1.054 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.026 7.836 0.010 1.00 0.00 H new ATOM 482 N CYS A 32 0.256 3.251 0.306 1.00 0.00 N ATOM 483 CA CYS A 32 -1.048 2.875 0.943 1.00 0.00 C ATOM 484 C CYS A 32 -2.076 4.013 0.840 1.00 0.00 C ATOM 485 O CYS A 32 -3.261 3.758 0.746 1.00 0.00 O ATOM 486 CB CYS A 32 -0.814 2.529 2.431 1.00 0.00 C ATOM 487 SG CYS A 32 -2.294 2.471 3.473 1.00 0.00 S ATOM 0 H CYS A 32 1.071 3.144 0.910 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.445 2.010 0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.317 1.560 2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.126 3.263 2.851 1.00 0.00 H new ATOM 492 N CYS A 33 -1.586 5.230 0.860 1.00 0.00 N ATOM 493 CA CYS A 33 -2.485 6.421 0.765 1.00 0.00 C ATOM 494 C CYS A 33 -3.208 6.379 -0.589 1.00 0.00 C ATOM 495 O CYS A 33 -4.423 6.390 -0.647 1.00 0.00 O ATOM 496 CB CYS A 33 -1.642 7.703 0.871 1.00 0.00 C ATOM 497 SG CYS A 33 -2.516 9.284 1.014 1.00 0.00 S ATOM 0 H CYS A 33 -0.593 5.449 0.939 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.217 6.411 1.573 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.989 7.603 1.738 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.000 7.754 -0.008 1.00 0.00 H new ATOM 502 N ALA A 34 -2.422 6.326 -1.637 1.00 0.00 N ATOM 503 CA ALA A 34 -2.978 6.278 -3.026 1.00 0.00 C ATOM 504 C ALA A 34 -3.862 5.047 -3.223 1.00 0.00 C ATOM 505 O ALA A 34 -4.741 5.047 -4.064 1.00 0.00 O ATOM 506 CB ALA A 34 -1.825 6.242 -4.025 1.00 0.00 C ATOM 0 H ALA A 34 -1.403 6.314 -1.588 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.589 7.166 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.223 6.207 -5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.213 7.136 -3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.214 5.357 -3.844 1.00 0.00 H new ATOM 512 N GLY A 35 -3.588 4.039 -2.430 1.00 0.00 N ATOM 513 CA GLY A 35 -4.353 2.769 -2.492 1.00 0.00 C ATOM 514 C GLY A 35 -5.861 3.022 -2.395 1.00 0.00 C ATOM 515 O GLY A 35 -6.275 4.005 -1.808 1.00 0.00 O ATOM 0 H GLY A 35 -2.848 4.051 -1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.128 2.252 -3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.039 2.113 -1.680 1.00 0.00 H new ATOM 519 N THR A 36 -6.630 2.131 -2.972 1.00 0.00 N ATOM 520 CA THR A 36 -8.118 2.276 -2.947 1.00 0.00 C ATOM 521 C THR A 36 -8.734 1.407 -1.838 1.00 0.00 C ATOM 522 O THR A 36 -8.056 0.650 -1.173 1.00 0.00 O ATOM 523 CB THR A 36 -8.721 1.838 -4.297 1.00 0.00 C ATOM 524 OG1 THR A 36 -7.740 2.104 -5.289 1.00 0.00 O ATOM 525 CG2 THR A 36 -9.895 2.740 -4.731 1.00 0.00 C ATOM 0 H THR A 36 -6.288 1.305 -3.462 1.00 0.00 H new ATOM 0 HA THR A 36 -8.344 3.325 -2.757 1.00 0.00 H new ATOM 0 HB THR A 36 -9.036 0.800 -4.194 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.083 1.838 -6.168 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.287 2.392 -5.687 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.683 2.698 -3.979 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.546 3.767 -4.834 1.00 0.00 H new ATOM 533 N LYS A 37 -10.025 1.550 -1.685 1.00 0.00 N ATOM 534 CA LYS A 37 -10.772 0.777 -0.646 1.00 0.00 C ATOM 535 C LYS A 37 -11.089 -0.619 -1.205 1.00 0.00 C ATOM 536 O LYS A 37 -11.221 -0.789 -2.402 1.00 0.00 O ATOM 537 CB LYS A 37 -12.053 1.617 -0.290 1.00 0.00 C ATOM 538 CG LYS A 37 -13.302 0.768 0.083 1.00 0.00 C ATOM 539 CD LYS A 37 -14.079 0.309 -1.181 1.00 0.00 C ATOM 540 CE LYS A 37 -15.230 -0.621 -0.768 1.00 0.00 C ATOM 541 NZ LYS A 37 -14.688 -1.851 -0.121 1.00 0.00 N ATOM 0 H LYS A 37 -10.602 2.179 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.200 0.620 0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.817 2.278 0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.303 2.252 -1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.991 -0.105 0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.962 1.352 0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.471 1.175 -1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.407 -0.209 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.898 -0.103 -0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.821 -0.891 -1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.037 -2.691 -0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.649 -1.833 -0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.000 -1.888 0.870 1.00 0.00 H new ATOM 555 N GLY A 38 -11.194 -1.577 -0.316 1.00 0.00 N ATOM 556 CA GLY A 38 -11.499 -2.987 -0.724 1.00 0.00 C ATOM 557 C GLY A 38 -10.241 -3.711 -1.233 1.00 0.00 C ATOM 558 O GLY A 38 -10.127 -4.916 -1.116 1.00 0.00 O ATOM 0 H GLY A 38 -11.080 -1.441 0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.915 -3.531 0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.260 -2.985 -1.505 1.00 0.00 H new ATOM 562 N CYS A 39 -9.338 -2.940 -1.783 1.00 0.00 N ATOM 563 CA CYS A 39 -8.057 -3.470 -2.332 1.00 0.00 C ATOM 564 C CYS A 39 -7.107 -3.897 -1.208 1.00 0.00 C ATOM 565 O CYS A 39 -7.398 -3.707 -0.045 1.00 0.00 O ATOM 566 CB CYS A 39 -7.440 -2.363 -3.175 1.00 0.00 C ATOM 567 SG CYS A 39 -8.444 -1.644 -4.499 1.00 0.00 S ATOM 0 H CYS A 39 -9.442 -1.930 -1.876 1.00 0.00 H new ATOM 0 HA CYS A 39 -8.241 -4.358 -2.937 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.146 -1.556 -2.504 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.527 -2.754 -3.623 1.00 0.00 H new ATOM 572 N LYS A 40 -6.000 -4.467 -1.612 1.00 0.00 N ATOM 573 CA LYS A 40 -4.959 -4.945 -0.649 1.00 0.00 C ATOM 574 C LYS A 40 -3.558 -4.641 -1.190 1.00 0.00 C ATOM 575 O LYS A 40 -3.117 -5.254 -2.141 1.00 0.00 O ATOM 576 CB LYS A 40 -5.105 -6.468 -0.436 1.00 0.00 C ATOM 577 CG LYS A 40 -6.447 -6.779 0.271 1.00 0.00 C ATOM 578 CD LYS A 40 -6.587 -8.296 0.541 1.00 0.00 C ATOM 579 CE LYS A 40 -5.530 -8.779 1.557 1.00 0.00 C ATOM 580 NZ LYS A 40 -5.732 -10.227 1.841 1.00 0.00 N ATOM 0 H LYS A 40 -5.768 -4.625 -2.593 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.096 -4.427 0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.062 -6.983 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.274 -6.841 0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.503 -6.231 1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.277 -6.437 -0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.586 -8.510 0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.476 -8.847 -0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.528 -8.612 1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.608 -8.203 2.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.019 -10.549 2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.683 -10.374 2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.636 -10.770 0.959 1.00 0.00 H new ATOM 594 N TYR A 41 -2.913 -3.692 -0.557 1.00 0.00 N ATOM 595 CA TYR A 41 -1.547 -3.256 -0.930 1.00 0.00 C ATOM 596 C TYR A 41 -0.512 -3.886 0.017 1.00 0.00 C ATOM 597 O TYR A 41 -0.532 -3.694 1.222 1.00 0.00 O ATOM 598 CB TYR A 41 -1.512 -1.737 -0.850 1.00 0.00 C ATOM 599 CG TYR A 41 -2.393 -1.161 -1.968 1.00 0.00 C ATOM 600 CD1 TYR A 41 -3.747 -0.990 -1.770 1.00 0.00 C ATOM 601 CD2 TYR A 41 -1.845 -0.813 -3.189 1.00 0.00 C ATOM 602 CE1 TYR A 41 -4.540 -0.481 -2.773 1.00 0.00 C ATOM 603 CE2 TYR A 41 -2.642 -0.304 -4.193 1.00 0.00 C ATOM 604 CZ TYR A 41 -3.997 -0.134 -3.991 1.00 0.00 C ATOM 605 OH TYR A 41 -4.801 0.373 -4.991 1.00 0.00 O ATOM 0 H TYR A 41 -3.303 -3.185 0.237 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.299 -3.579 -1.941 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.871 -1.402 0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.488 -1.377 -0.953 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.188 -1.257 -0.821 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.786 -0.941 -3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.599 -0.352 -2.604 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.203 -0.037 -5.143 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.256 0.566 -5.783 1.00 0.00 H new ATOM 615 N PHE A 42 0.360 -4.627 -0.613 1.00 0.00 N ATOM 616 CA PHE A 42 1.463 -5.353 0.068 1.00 0.00 C ATOM 617 C PHE A 42 2.847 -4.990 -0.470 1.00 0.00 C ATOM 618 O PHE A 42 3.005 -4.474 -1.564 1.00 0.00 O ATOM 619 CB PHE A 42 1.243 -6.881 -0.098 1.00 0.00 C ATOM 620 CG PHE A 42 0.135 -7.214 -1.111 1.00 0.00 C ATOM 621 CD1 PHE A 42 0.253 -6.899 -2.452 1.00 0.00 C ATOM 622 CD2 PHE A 42 -1.013 -7.841 -0.663 1.00 0.00 C ATOM 623 CE1 PHE A 42 -0.770 -7.212 -3.322 1.00 0.00 C ATOM 624 CE2 PHE A 42 -2.031 -8.152 -1.532 1.00 0.00 C ATOM 625 CZ PHE A 42 -1.911 -7.838 -2.864 1.00 0.00 C ATOM 0 H PHE A 42 0.347 -4.762 -1.624 1.00 0.00 H new ATOM 0 HA PHE A 42 1.439 -5.058 1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.175 -7.345 -0.420 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.988 -7.314 0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.144 -6.409 -2.817 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.111 -8.090 0.383 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.677 -6.965 -4.369 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.923 -8.642 -1.169 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.708 -8.081 -3.551 1.00 0.00 H new ATOM 635 N SER A 43 3.793 -5.296 0.382 1.00 0.00 N ATOM 636 CA SER A 43 5.231 -5.071 0.132 1.00 0.00 C ATOM 637 C SER A 43 5.792 -6.152 -0.798 1.00 0.00 C ATOM 638 O SER A 43 5.090 -7.041 -1.241 1.00 0.00 O ATOM 639 CB SER A 43 5.931 -5.114 1.468 1.00 0.00 C ATOM 640 OG SER A 43 5.276 -4.156 2.284 1.00 0.00 O ATOM 0 H SER A 43 3.602 -5.717 1.291 1.00 0.00 H new ATOM 0 HA SER A 43 5.387 -4.108 -0.354 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.870 -6.109 1.909 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.990 -4.877 1.362 1.00 0.00 H new ATOM 0 HG SER A 43 4.639 -4.610 2.874 1.00 0.00 H new ATOM 646 N ASP A 44 7.067 -6.014 -1.053 1.00 0.00 N ATOM 647 CA ASP A 44 7.805 -6.966 -1.940 1.00 0.00 C ATOM 648 C ASP A 44 8.515 -8.041 -1.113 1.00 0.00 C ATOM 649 O ASP A 44 8.689 -9.156 -1.567 1.00 0.00 O ATOM 650 CB ASP A 44 8.840 -6.177 -2.771 1.00 0.00 C ATOM 651 CG ASP A 44 8.807 -6.679 -4.224 1.00 0.00 C ATOM 652 OD1 ASP A 44 9.427 -7.704 -4.455 1.00 0.00 O ATOM 653 OD2 ASP A 44 8.165 -6.014 -5.020 1.00 0.00 O ATOM 0 H ASP A 44 7.643 -5.262 -0.674 1.00 0.00 H new ATOM 0 HA ASP A 44 7.093 -7.461 -2.601 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.616 -5.111 -2.736 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.837 -6.307 -2.351 1.00 0.00 H new ATOM 658 N ASP A 45 8.901 -7.665 0.080 1.00 0.00 N ATOM 659 CA ASP A 45 9.609 -8.610 1.001 1.00 0.00 C ATOM 660 C ASP A 45 8.639 -9.635 1.621 1.00 0.00 C ATOM 661 O ASP A 45 9.033 -10.431 2.452 1.00 0.00 O ATOM 662 CB ASP A 45 10.292 -7.782 2.110 1.00 0.00 C ATOM 663 CG ASP A 45 9.229 -7.040 2.941 1.00 0.00 C ATOM 664 OD1 ASP A 45 8.847 -5.966 2.510 1.00 0.00 O ATOM 665 OD2 ASP A 45 8.859 -7.595 3.961 1.00 0.00 O ATOM 0 H ASP A 45 8.754 -6.730 0.461 1.00 0.00 H new ATOM 0 HA ASP A 45 10.349 -9.174 0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.879 -8.436 2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.985 -7.066 1.667 1.00 0.00 H new ATOM 670 N GLY A 46 7.399 -9.583 1.199 1.00 0.00 N ATOM 671 CA GLY A 46 6.363 -10.508 1.707 1.00 0.00 C ATOM 672 C GLY A 46 5.836 -10.018 3.053 1.00 0.00 C ATOM 673 O GLY A 46 5.975 -10.686 4.060 1.00 0.00 O ATOM 0 H GLY A 46 7.063 -8.916 0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.544 -10.578 0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.780 -11.510 1.814 1.00 0.00 H new ATOM 677 N THR A 47 5.243 -8.851 3.011 1.00 0.00 N ATOM 678 CA THR A 47 4.664 -8.204 4.207 1.00 0.00 C ATOM 679 C THR A 47 3.541 -7.254 3.772 1.00 0.00 C ATOM 680 O THR A 47 3.784 -6.219 3.184 1.00 0.00 O ATOM 681 CB THR A 47 5.776 -7.427 4.931 1.00 0.00 C ATOM 682 OG1 THR A 47 6.655 -8.419 5.439 1.00 0.00 O ATOM 683 CG2 THR A 47 5.263 -6.687 6.183 1.00 0.00 C ATOM 0 H THR A 47 5.138 -8.306 2.155 1.00 0.00 H new ATOM 0 HA THR A 47 4.248 -8.951 4.883 1.00 0.00 H new ATOM 0 HB THR A 47 6.210 -6.707 4.237 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.539 -8.313 5.030 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.089 -6.155 6.655 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.491 -5.974 5.893 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.846 -7.408 6.886 1.00 0.00 H new ATOM 691 N PHE A 48 2.332 -7.647 4.078 1.00 0.00 N ATOM 692 CA PHE A 48 1.143 -6.819 3.716 1.00 0.00 C ATOM 693 C PHE A 48 1.176 -5.471 4.442 1.00 0.00 C ATOM 694 O PHE A 48 1.523 -5.420 5.606 1.00 0.00 O ATOM 695 CB PHE A 48 -0.116 -7.621 4.091 1.00 0.00 C ATOM 696 CG PHE A 48 -1.377 -6.772 3.872 1.00 0.00 C ATOM 697 CD1 PHE A 48 -1.668 -6.240 2.629 1.00 0.00 C ATOM 698 CD2 PHE A 48 -2.232 -6.528 4.927 1.00 0.00 C ATOM 699 CE1 PHE A 48 -2.797 -5.477 2.448 1.00 0.00 C ATOM 700 CE2 PHE A 48 -3.362 -5.765 4.746 1.00 0.00 C ATOM 701 CZ PHE A 48 -3.644 -5.239 3.506 1.00 0.00 C ATOM 0 H PHE A 48 2.116 -8.515 4.568 1.00 0.00 H new ATOM 0 HA PHE A 48 1.143 -6.602 2.648 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.171 -8.527 3.488 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.058 -7.935 5.133 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.005 -6.425 1.797 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.013 -6.939 5.901 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.019 -5.064 1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.027 -5.579 5.576 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.531 -4.639 3.363 1.00 0.00 H new ATOM 711 N VAL A 49 0.814 -4.424 3.735 1.00 0.00 N ATOM 712 CA VAL A 49 0.820 -3.068 4.370 1.00 0.00 C ATOM 713 C VAL A 49 -0.591 -2.571 4.726 1.00 0.00 C ATOM 714 O VAL A 49 -0.847 -2.352 5.895 1.00 0.00 O ATOM 715 CB VAL A 49 1.501 -2.065 3.405 1.00 0.00 C ATOM 716 CG1 VAL A 49 1.650 -0.689 4.106 1.00 0.00 C ATOM 717 CG2 VAL A 49 2.899 -2.592 3.018 1.00 0.00 C ATOM 0 H VAL A 49 0.519 -4.450 2.759 1.00 0.00 H new ATOM 0 HA VAL A 49 1.373 -3.142 5.306 1.00 0.00 H new ATOM 0 HB VAL A 49 0.890 -1.954 2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.129 0.016 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.665 -0.313 4.383 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.261 -0.801 5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.379 -1.887 2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.507 -2.703 3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.800 -3.559 2.526 1.00 0.00 H new ATOM 727 N CYS A 50 -1.470 -2.400 3.764 1.00 0.00 N ATOM 728 CA CYS A 50 -2.847 -1.911 4.130 1.00 0.00 C ATOM 729 C CYS A 50 -3.824 -2.175 2.995 1.00 0.00 C ATOM 730 O CYS A 50 -3.400 -2.498 1.907 1.00 0.00 O ATOM 731 CB CYS A 50 -2.834 -0.389 4.405 1.00 0.00 C ATOM 732 SG CYS A 50 -3.207 0.726 3.025 1.00 0.00 S ATOM 0 H CYS A 50 -1.306 -2.570 2.772 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.156 -2.448 5.027 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.551 -0.187 5.201 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.848 -0.127 4.789 1.00 0.00 H new ATOM 737 N GLU A 51 -5.099 -2.027 3.270 1.00 0.00 N ATOM 738 CA GLU A 51 -6.126 -2.271 2.207 1.00 0.00 C ATOM 739 C GLU A 51 -6.454 -0.913 1.557 1.00 0.00 C ATOM 740 O GLU A 51 -7.592 -0.493 1.468 1.00 0.00 O ATOM 741 CB GLU A 51 -7.434 -2.905 2.838 1.00 0.00 C ATOM 742 CG GLU A 51 -7.432 -2.944 4.392 1.00 0.00 C ATOM 743 CD GLU A 51 -6.480 -4.020 4.942 1.00 0.00 C ATOM 744 OE1 GLU A 51 -6.722 -5.179 4.646 1.00 0.00 O ATOM 745 OE2 GLU A 51 -5.560 -3.613 5.632 1.00 0.00 O ATOM 0 H GLU A 51 -5.471 -1.750 4.178 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.743 -2.970 1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.300 -2.336 2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.552 -3.920 2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.138 -1.968 4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.443 -3.137 4.751 1.00 0.00 H new ATOM 752 N GLY A 52 -5.402 -0.273 1.112 1.00 0.00 N ATOM 753 CA GLY A 52 -5.502 1.068 0.449 1.00 0.00 C ATOM 754 C GLY A 52 -6.397 2.026 1.256 1.00 0.00 C ATOM 755 O GLY A 52 -6.365 1.984 2.470 1.00 0.00 O ATOM 0 H GLY A 52 -4.450 -0.633 1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.506 1.499 0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.906 0.950 -0.556 1.00 0.00 H new ATOM 759 N GLU A 53 -7.157 2.842 0.558 1.00 0.00 N ATOM 760 CA GLU A 53 -8.088 3.840 1.189 1.00 0.00 C ATOM 761 C GLU A 53 -8.654 4.827 0.141 1.00 0.00 C ATOM 762 O GLU A 53 -8.440 6.021 0.224 1.00 0.00 O ATOM 763 CB GLU A 53 -7.330 4.635 2.307 1.00 0.00 C ATOM 764 CG GLU A 53 -6.021 5.246 1.759 1.00 0.00 C ATOM 765 CD GLU A 53 -5.144 5.689 2.938 1.00 0.00 C ATOM 766 OE1 GLU A 53 -5.303 6.827 3.346 1.00 0.00 O ATOM 767 OE2 GLU A 53 -4.361 4.854 3.363 1.00 0.00 O ATOM 0 H GLU A 53 -7.170 2.857 -0.462 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.924 3.293 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.971 5.427 2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.105 3.971 3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.491 4.515 1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.243 6.097 1.115 1.00 0.00 H new ATOM 774 N SER A 54 -9.367 4.287 -0.821 1.00 0.00 N ATOM 775 CA SER A 54 -9.993 5.099 -1.922 1.00 0.00 C ATOM 776 C SER A 54 -9.066 6.230 -2.446 1.00 0.00 C ATOM 777 O SER A 54 -9.396 7.397 -2.311 1.00 0.00 O ATOM 778 CB SER A 54 -11.357 5.659 -1.373 1.00 0.00 C ATOM 779 OG SER A 54 -11.043 6.466 -0.247 1.00 0.00 O ATOM 0 H SER A 54 -9.547 3.286 -0.892 1.00 0.00 H new ATOM 0 HA SER A 54 -10.164 4.463 -2.791 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.871 6.243 -2.136 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.025 4.845 -1.091 1.00 0.00 H new ATOM 0 HG SER A 54 -10.255 7.014 -0.447 1.00 0.00 H new TER 785 SER A 54