USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 426 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 NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 60 ZNZN :(H bumps) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0999 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -115:sc= 0.755 USER MOD Single : A 54 THR OG1 : rot 3:sc= 0.703 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.778 -14.708 -4.117 1.00 0.00 N ATOM 2 CA ALA A 2 10.204 -15.036 -5.448 1.00 0.00 C ATOM 3 C ALA A 2 10.983 -14.346 -6.563 1.00 0.00 C ATOM 4 O ALA A 2 10.423 -14.005 -7.606 1.00 0.00 O ATOM 5 CB ALA A 2 8.738 -14.637 -5.503 1.00 0.00 C ATOM 0 HA ALA A 2 10.281 -16.113 -5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.331 -14.883 -6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.185 -15.177 -4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.646 -13.565 -5.331 1.00 0.00 H new ATOM 13 N SER A 3 12.276 -14.143 -6.338 1.00 0.00 N ATOM 14 CA SER A 3 13.131 -13.493 -7.324 1.00 0.00 C ATOM 15 C SER A 3 12.638 -12.083 -7.626 1.00 0.00 C ATOM 16 O SER A 3 11.672 -11.610 -7.027 1.00 0.00 O ATOM 17 CB SER A 3 13.178 -14.317 -8.612 1.00 0.00 C ATOM 18 OG SER A 3 14.273 -15.216 -8.604 1.00 0.00 O ATOM 0 H SER A 3 12.755 -14.419 -5.481 1.00 0.00 H new ATOM 0 HA SER A 3 14.136 -13.425 -6.908 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.248 -14.874 -8.725 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.257 -13.650 -9.471 1.00 0.00 H new ATOM 0 HG SER A 3 14.279 -15.732 -9.437 1.00 0.00 H new ATOM 24 N THR A 4 13.306 -11.414 -8.561 1.00 0.00 N ATOM 25 CA THR A 4 12.934 -10.057 -8.943 1.00 0.00 C ATOM 26 C THR A 4 13.284 -9.787 -10.403 1.00 0.00 C ATOM 27 O THR A 4 14.266 -9.109 -10.702 1.00 0.00 O ATOM 28 CB THR A 4 13.638 -9.041 -8.041 1.00 0.00 C ATOM 29 OG1 THR A 4 13.437 -9.358 -6.676 1.00 0.00 O ATOM 30 CG2 THR A 4 13.164 -7.620 -8.258 1.00 0.00 C ATOM 0 H THR A 4 14.107 -11.790 -9.068 1.00 0.00 H new ATOM 0 HA THR A 4 11.856 -9.955 -8.822 1.00 0.00 H new ATOM 0 HB THR A 4 14.693 -9.100 -8.308 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.896 -8.698 -6.116 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.703 -6.950 -7.588 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.352 -7.328 -9.291 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.096 -7.557 -8.052 1.00 0.00 H new ATOM 38 N SER A 5 12.471 -10.323 -11.308 1.00 0.00 N ATOM 39 CA SER A 5 12.693 -10.141 -12.739 1.00 0.00 C ATOM 40 C SER A 5 11.578 -10.795 -13.548 1.00 0.00 C ATOM 41 O SER A 5 11.832 -11.634 -14.413 1.00 0.00 O ATOM 42 CB SER A 5 14.048 -10.725 -13.144 1.00 0.00 C ATOM 43 OG SER A 5 14.681 -9.914 -14.119 1.00 0.00 O ATOM 0 H SER A 5 11.653 -10.887 -11.076 1.00 0.00 H new ATOM 0 HA SER A 5 12.690 -9.072 -12.951 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.688 -10.810 -12.266 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.911 -11.732 -13.537 1.00 0.00 H new ATOM 0 HG SER A 5 15.546 -10.307 -14.360 1.00 0.00 H new ATOM 49 N ARG A 6 10.339 -10.407 -13.262 1.00 0.00 N ATOM 50 CA ARG A 6 9.185 -10.956 -13.964 1.00 0.00 C ATOM 51 C ARG A 6 8.151 -9.870 -14.244 1.00 0.00 C ATOM 52 O ARG A 6 7.733 -9.679 -15.387 1.00 0.00 O ATOM 53 CB ARG A 6 8.550 -12.089 -13.150 1.00 0.00 C ATOM 54 CG ARG A 6 8.501 -11.819 -11.652 1.00 0.00 C ATOM 55 CD ARG A 6 7.071 -11.741 -11.143 1.00 0.00 C ATOM 56 NE ARG A 6 6.953 -12.219 -9.768 1.00 0.00 N ATOM 57 CZ ARG A 6 7.288 -11.497 -8.701 1.00 0.00 C ATOM 58 NH1 ARG A 6 7.758 -10.264 -8.846 1.00 0.00 N ATOM 59 NH2 ARG A 6 7.153 -12.010 -7.486 1.00 0.00 N ATOM 0 H ARG A 6 10.109 -9.715 -12.549 1.00 0.00 H new ATOM 0 HA ARG A 6 9.531 -11.357 -14.917 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.536 -12.259 -13.512 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.110 -13.008 -13.326 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.034 -12.609 -11.122 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.017 -10.884 -11.433 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.722 -10.710 -11.200 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.423 -12.333 -11.790 1.00 0.00 H new ATOM 0 HE ARG A 6 6.593 -13.161 -9.616 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.864 -9.865 -9.779 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.013 -9.716 -8.025 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.793 -12.957 -7.369 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.409 -11.458 -6.668 1.00 0.00 H new ATOM 73 N LEU A 7 7.743 -9.161 -13.198 1.00 0.00 N ATOM 74 CA LEU A 7 6.760 -8.093 -13.335 1.00 0.00 C ATOM 75 C LEU A 7 6.526 -7.392 -12.000 1.00 0.00 C ATOM 76 O LEU A 7 6.886 -7.912 -10.943 1.00 0.00 O ATOM 77 CB LEU A 7 5.438 -8.648 -13.872 1.00 0.00 C ATOM 78 CG LEU A 7 4.664 -9.542 -12.899 1.00 0.00 C ATOM 79 CD1 LEU A 7 3.183 -9.192 -12.911 1.00 0.00 C ATOM 80 CD2 LEU A 7 4.869 -11.009 -13.246 1.00 0.00 C ATOM 0 H LEU A 7 8.078 -9.306 -12.246 1.00 0.00 H new ATOM 0 HA LEU A 7 7.153 -7.364 -14.044 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.800 -7.811 -14.158 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.643 -9.217 -14.779 1.00 0.00 H new ATOM 0 HG LEU A 7 5.048 -9.368 -11.894 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.651 -9.838 -12.213 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.053 -8.152 -12.613 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.783 -9.335 -13.915 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.312 -11.630 -12.545 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.513 -11.197 -14.259 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.930 -11.253 -13.184 1.00 0.00 H new ATOM 92 N ASP A 8 5.921 -6.210 -12.056 1.00 0.00 N ATOM 93 CA ASP A 8 5.638 -5.437 -10.852 1.00 0.00 C ATOM 94 C ASP A 8 4.150 -5.125 -10.742 1.00 0.00 C ATOM 95 O ASP A 8 3.429 -5.127 -11.740 1.00 0.00 O ATOM 96 CB ASP A 8 6.445 -4.138 -10.852 1.00 0.00 C ATOM 97 CG ASP A 8 7.817 -4.308 -10.231 1.00 0.00 C ATOM 98 OD1 ASP A 8 8.764 -4.651 -10.970 1.00 0.00 O ATOM 99 OD2 ASP A 8 7.945 -4.100 -9.006 1.00 0.00 O ATOM 0 H ASP A 8 5.617 -5.766 -12.923 1.00 0.00 H new ATOM 0 HA ASP A 8 5.929 -6.037 -9.990 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.555 -3.782 -11.876 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.895 -3.372 -10.306 1.00 0.00 H new ATOM 104 N ALA A 9 3.694 -4.855 -9.524 1.00 0.00 N ATOM 105 CA ALA A 9 2.292 -4.538 -9.284 1.00 0.00 C ATOM 106 C ALA A 9 2.152 -3.274 -8.443 1.00 0.00 C ATOM 107 O ALA A 9 2.581 -3.232 -7.290 1.00 0.00 O ATOM 108 CB ALA A 9 1.596 -5.706 -8.602 1.00 0.00 C ATOM 0 H ALA A 9 4.276 -4.849 -8.687 1.00 0.00 H new ATOM 0 HA ALA A 9 1.816 -4.358 -10.248 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.549 -5.455 -8.429 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.657 -6.588 -9.239 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.082 -5.913 -7.649 1.00 0.00 H new ATOM 114 N LEU A 10 1.552 -2.243 -9.030 1.00 0.00 N ATOM 115 CA LEU A 10 1.359 -0.976 -8.335 1.00 0.00 C ATOM 116 C LEU A 10 0.310 -1.102 -7.228 1.00 0.00 C ATOM 117 O LEU A 10 0.549 -0.687 -6.093 1.00 0.00 O ATOM 118 CB LEU A 10 0.956 0.121 -9.324 1.00 0.00 C ATOM 119 CG LEU A 10 0.646 1.481 -8.696 1.00 0.00 C ATOM 120 CD1 LEU A 10 1.928 2.257 -8.446 1.00 0.00 C ATOM 121 CD2 LEU A 10 -0.297 2.275 -9.588 1.00 0.00 C ATOM 0 H LEU A 10 1.192 -2.260 -9.984 1.00 0.00 H new ATOM 0 HA LEU A 10 2.307 -0.703 -7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.760 0.248 -10.049 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.079 -0.215 -9.877 1.00 0.00 H new ATOM 0 HG LEU A 10 0.154 1.316 -7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.688 3.222 -7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.569 1.693 -7.769 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.448 2.414 -9.391 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.508 3.240 -9.127 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.168 2.432 -10.561 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.228 1.723 -9.716 1.00 0.00 H new ATOM 133 N PRO A 11 -0.868 -1.677 -7.536 1.00 0.00 N ATOM 134 CA PRO A 11 -1.940 -1.846 -6.552 1.00 0.00 C ATOM 135 C PRO A 11 -1.696 -3.032 -5.625 1.00 0.00 C ATOM 136 O PRO A 11 -1.013 -3.989 -5.993 1.00 0.00 O ATOM 137 CB PRO A 11 -3.168 -2.094 -7.423 1.00 0.00 C ATOM 138 CG PRO A 11 -2.633 -2.769 -8.639 1.00 0.00 C ATOM 139 CD PRO A 11 -1.252 -2.205 -8.861 1.00 0.00 C ATOM 0 HA PRO A 11 -2.031 -0.985 -5.890 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.898 -2.720 -6.910 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.670 -1.160 -7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.594 -3.849 -8.499 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.273 -2.582 -9.501 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.557 -2.972 -9.202 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.257 -1.420 -9.618 1.00 0.00 H new ATOM 147 N ARG A 12 -2.259 -2.965 -4.423 1.00 0.00 N ATOM 148 CA ARG A 12 -2.106 -4.028 -3.444 1.00 0.00 C ATOM 149 C ARG A 12 -3.046 -5.192 -3.751 1.00 0.00 C ATOM 150 O ARG A 12 -3.892 -5.554 -2.932 1.00 0.00 O ATOM 151 CB ARG A 12 -2.387 -3.481 -2.047 1.00 0.00 C ATOM 152 CG ARG A 12 -3.816 -3.002 -1.858 1.00 0.00 C ATOM 153 CD ARG A 12 -3.894 -1.858 -0.860 1.00 0.00 C ATOM 154 NE ARG A 12 -5.212 -1.762 -0.237 1.00 0.00 N ATOM 155 CZ ARG A 12 -5.665 -0.673 0.378 1.00 0.00 C ATOM 156 NH1 ARG A 12 -4.911 0.416 0.457 1.00 0.00 N ATOM 157 NH2 ARG A 12 -6.879 -0.672 0.914 1.00 0.00 N ATOM 0 H ARG A 12 -2.828 -2.180 -4.105 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.082 -4.399 -3.490 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.172 -4.257 -1.312 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.706 -2.654 -1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.222 -2.678 -2.816 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.435 -3.830 -1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.138 -1.999 -0.088 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.663 -0.920 -1.365 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.821 -2.579 -0.276 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.978 0.421 0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.264 1.248 0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.464 -1.506 0.854 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.227 0.162 1.386 1.00 0.00 H new ATOM 171 N VAL A 13 -2.893 -5.773 -4.936 1.00 0.00 N ATOM 172 CA VAL A 13 -3.723 -6.890 -5.353 1.00 0.00 C ATOM 173 C VAL A 13 -3.192 -8.207 -4.798 1.00 0.00 C ATOM 174 O VAL A 13 -2.182 -8.234 -4.094 1.00 0.00 O ATOM 175 CB VAL A 13 -3.794 -6.984 -6.887 1.00 0.00 C ATOM 176 CG1 VAL A 13 -4.709 -5.907 -7.450 1.00 0.00 C ATOM 177 CG2 VAL A 13 -2.403 -6.885 -7.497 1.00 0.00 C ATOM 0 H VAL A 13 -2.198 -5.485 -5.625 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.723 -6.711 -4.957 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.212 -7.956 -7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.745 -5.991 -8.536 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.712 -6.033 -7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.326 -4.924 -7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.476 -6.954 -8.582 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.953 -5.931 -7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.783 -7.699 -7.123 1.00 0.00 H new ATOM 187 N THR A 14 -3.877 -9.299 -5.121 1.00 0.00 N ATOM 188 CA THR A 14 -3.471 -10.620 -4.656 1.00 0.00 C ATOM 189 C THR A 14 -2.257 -11.116 -5.434 1.00 0.00 C ATOM 190 O THR A 14 -1.891 -10.546 -6.462 1.00 0.00 O ATOM 191 CB THR A 14 -4.625 -11.615 -4.798 1.00 0.00 C ATOM 192 OG1 THR A 14 -5.531 -11.197 -5.806 1.00 0.00 O ATOM 193 CG2 THR A 14 -5.412 -11.805 -3.519 1.00 0.00 C ATOM 0 H THR A 14 -4.715 -9.295 -5.702 1.00 0.00 H new ATOM 0 HA THR A 14 -3.201 -10.541 -3.603 1.00 0.00 H new ATOM 0 HB THR A 14 -4.157 -12.564 -5.061 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.260 -11.848 -5.881 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.215 -12.522 -3.689 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.751 -12.179 -2.737 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.838 -10.851 -3.209 1.00 0.00 H new ATOM 201 N CYS A 15 -1.638 -12.180 -4.936 1.00 0.00 N ATOM 202 CA CYS A 15 -0.465 -12.754 -5.584 1.00 0.00 C ATOM 203 C CYS A 15 -0.800 -13.213 -7.003 1.00 0.00 C ATOM 204 O CYS A 15 -1.832 -13.846 -7.230 1.00 0.00 O ATOM 205 CB CYS A 15 0.062 -13.933 -4.763 1.00 0.00 C ATOM 206 SG CYS A 15 1.603 -14.643 -5.389 1.00 0.00 S ATOM 0 H CYS A 15 -1.929 -12.663 -4.086 1.00 0.00 H new ATOM 0 HA CYS A 15 0.306 -11.986 -5.644 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.218 -13.605 -3.735 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.700 -14.712 -4.737 1.00 0.00 H new ATOM 211 N PRO A 16 0.066 -12.898 -7.985 1.00 0.00 N ATOM 212 CA PRO A 16 -0.154 -13.283 -9.383 1.00 0.00 C ATOM 213 C PRO A 16 -0.100 -14.795 -9.588 1.00 0.00 C ATOM 214 O PRO A 16 -0.692 -15.323 -10.530 1.00 0.00 O ATOM 215 CB PRO A 16 0.995 -12.601 -10.131 1.00 0.00 C ATOM 216 CG PRO A 16 2.051 -12.389 -9.102 1.00 0.00 C ATOM 217 CD PRO A 16 1.322 -12.144 -7.812 1.00 0.00 C ATOM 0 HA PRO A 16 -1.143 -12.985 -9.732 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.359 -13.224 -10.948 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.675 -11.656 -10.569 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.702 -13.260 -9.024 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.684 -11.540 -9.361 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.891 -12.502 -6.954 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.135 -11.082 -7.651 1.00 0.00 H new ATOM 225 N ASN A 17 0.614 -15.484 -8.705 1.00 0.00 N ATOM 226 CA ASN A 17 0.745 -16.935 -8.795 1.00 0.00 C ATOM 227 C ASN A 17 0.007 -17.637 -7.653 1.00 0.00 C ATOM 228 O ASN A 17 -0.138 -18.860 -7.660 1.00 0.00 O ATOM 229 CB ASN A 17 2.223 -17.333 -8.788 1.00 0.00 C ATOM 230 CG ASN A 17 2.645 -18.015 -10.076 1.00 0.00 C ATOM 231 OD1 ASN A 17 2.223 -19.135 -10.366 1.00 0.00 O ATOM 232 ND2 ASN A 17 3.481 -17.340 -10.856 1.00 0.00 N ATOM 0 H ASN A 17 1.110 -15.063 -7.920 1.00 0.00 H new ATOM 0 HA ASN A 17 0.290 -17.253 -9.733 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.835 -16.444 -8.633 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.413 -18.001 -7.948 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.799 -17.747 -11.735 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.805 -16.414 -10.576 1.00 0.00 H new ATOM 239 N HIS A 18 -0.460 -16.864 -6.676 1.00 0.00 N ATOM 240 CA HIS A 18 -1.181 -17.425 -5.539 1.00 0.00 C ATOM 241 C HIS A 18 -2.502 -16.691 -5.316 1.00 0.00 C ATOM 242 O HIS A 18 -2.601 -15.823 -4.450 1.00 0.00 O ATOM 243 CB HIS A 18 -0.325 -17.355 -4.271 1.00 0.00 C ATOM 244 CG HIS A 18 0.877 -18.246 -4.306 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.141 -17.756 -4.067 1.00 0.00 N ATOM 246 CD2 HIS A 18 0.949 -19.578 -4.542 1.00 0.00 C ATOM 247 CE1 HIS A 18 2.947 -18.802 -4.160 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.270 -19.925 -4.448 1.00 0.00 N ATOM 0 H HIS A 18 -0.352 -15.850 -6.649 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.397 -18.470 -5.762 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.001 -16.326 -4.120 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.941 -17.624 -3.413 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.124 -20.239 -4.762 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.017 -18.757 -4.021 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.664 -20.857 -4.573 1.00 0.00 H new ATOM 256 N PRO A 19 -3.539 -17.033 -6.099 1.00 0.00 N ATOM 257 CA PRO A 19 -4.858 -16.403 -5.983 1.00 0.00 C ATOM 258 C PRO A 19 -5.546 -16.738 -4.663 1.00 0.00 C ATOM 259 O PRO A 19 -6.123 -15.865 -4.015 1.00 0.00 O ATOM 260 CB PRO A 19 -5.644 -16.992 -7.158 1.00 0.00 C ATOM 261 CG PRO A 19 -4.963 -18.280 -7.466 1.00 0.00 C ATOM 262 CD PRO A 19 -3.508 -18.061 -7.156 1.00 0.00 C ATOM 0 HA PRO A 19 -4.790 -15.315 -6.003 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.690 -17.151 -6.894 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.631 -16.322 -8.018 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.373 -19.092 -6.865 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.103 -18.555 -8.511 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.027 -18.977 -6.813 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.956 -17.721 -8.032 1.00 0.00 H new ATOM 270 N ASP A 20 -5.478 -18.006 -4.271 1.00 0.00 N ATOM 271 CA ASP A 20 -6.094 -18.454 -3.028 1.00 0.00 C ATOM 272 C ASP A 20 -5.350 -17.894 -1.820 1.00 0.00 C ATOM 273 O ASP A 20 -5.962 -17.519 -0.820 1.00 0.00 O ATOM 274 CB ASP A 20 -6.114 -19.982 -2.965 1.00 0.00 C ATOM 275 CG ASP A 20 -7.425 -20.563 -3.459 1.00 0.00 C ATOM 276 OD1 ASP A 20 -8.470 -19.902 -3.286 1.00 0.00 O ATOM 277 OD2 ASP A 20 -7.405 -21.678 -4.021 1.00 0.00 O ATOM 0 H ASP A 20 -5.003 -18.741 -4.796 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.119 -18.083 -3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.295 -20.379 -3.565 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.941 -20.303 -1.938 1.00 0.00 H new ATOM 282 N ALA A 21 -4.026 -17.838 -1.921 1.00 0.00 N ATOM 283 CA ALA A 21 -3.197 -17.323 -0.839 1.00 0.00 C ATOM 284 C ALA A 21 -2.897 -15.841 -1.037 1.00 0.00 C ATOM 285 O ALA A 21 -1.853 -15.475 -1.575 1.00 0.00 O ATOM 286 CB ALA A 21 -1.904 -18.116 -0.740 1.00 0.00 C ATOM 0 H ALA A 21 -3.504 -18.144 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.750 -17.435 0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.295 -17.720 0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.134 -19.163 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.355 -18.035 -1.678 1.00 0.00 H new ATOM 292 N ILE A 22 -3.821 -14.993 -0.598 1.00 0.00 N ATOM 293 CA ILE A 22 -3.658 -13.550 -0.726 1.00 0.00 C ATOM 294 C ILE A 22 -2.518 -13.044 0.152 1.00 0.00 C ATOM 295 O ILE A 22 -2.320 -13.527 1.268 1.00 0.00 O ATOM 296 CB ILE A 22 -4.957 -12.807 -0.348 1.00 0.00 C ATOM 297 CG1 ILE A 22 -4.786 -11.297 -0.528 1.00 0.00 C ATOM 298 CG2 ILE A 22 -5.355 -13.134 1.084 1.00 0.00 C ATOM 299 CD1 ILE A 22 -6.097 -10.545 -0.608 1.00 0.00 C ATOM 0 H ILE A 22 -4.691 -15.281 -0.150 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.421 -13.347 -1.770 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.753 -13.141 -1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.201 -10.904 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.213 -11.110 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.273 -12.603 1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.519 -14.207 1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.559 -12.826 1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.899 -9.481 -0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.675 -10.911 -1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.663 -10.701 0.310 1.00 0.00 H new ATOM 311 N LEU A 23 -1.776 -12.066 -0.355 1.00 0.00 N ATOM 312 CA LEU A 23 -0.659 -11.487 0.386 1.00 0.00 C ATOM 313 C LEU A 23 -1.120 -11.004 1.760 1.00 0.00 C ATOM 314 O LEU A 23 -2.285 -10.649 1.944 1.00 0.00 O ATOM 315 CB LEU A 23 -0.053 -10.320 -0.395 1.00 0.00 C ATOM 316 CG LEU A 23 0.761 -10.715 -1.628 1.00 0.00 C ATOM 317 CD1 LEU A 23 -0.159 -11.031 -2.797 1.00 0.00 C ATOM 318 CD2 LEU A 23 1.736 -9.607 -1.998 1.00 0.00 C ATOM 0 H LEU A 23 -1.927 -11.656 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 23 0.099 -12.259 0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.859 -9.656 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.588 -9.748 0.276 1.00 0.00 H new ATOM 0 HG LEU A 23 1.333 -11.612 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.438 -11.310 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.817 -11.857 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.758 -10.153 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.308 -9.904 -2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.183 -8.693 -2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.417 -9.429 -1.166 1.00 0.00 H new ATOM 330 N VAL A 24 -0.203 -10.990 2.721 1.00 0.00 N ATOM 331 CA VAL A 24 -0.520 -10.547 4.074 1.00 0.00 C ATOM 332 C VAL A 24 0.061 -9.165 4.342 1.00 0.00 C ATOM 333 O VAL A 24 0.978 -8.725 3.651 1.00 0.00 O ATOM 334 CB VAL A 24 0.016 -11.530 5.133 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.524 -11.178 6.510 1.00 0.00 C ATOM 336 CG2 VAL A 24 -0.336 -12.965 4.766 1.00 0.00 C ATOM 0 H VAL A 24 0.766 -11.280 2.588 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.607 -10.508 4.148 1.00 0.00 H new ATOM 0 HB VAL A 24 1.102 -11.445 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.135 -11.883 7.245 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.212 -10.168 6.776 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.613 -11.230 6.498 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.052 -13.641 5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.419 -13.070 4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.107 -13.213 3.801 1.00 0.00 H new ATOM 346 N GLU A 25 -0.476 -8.482 5.347 1.00 0.00 N ATOM 347 CA GLU A 25 -0.007 -7.146 5.700 1.00 0.00 C ATOM 348 C GLU A 25 0.824 -7.179 6.980 1.00 0.00 C ATOM 349 O GLU A 25 0.397 -7.730 7.994 1.00 0.00 O ATOM 350 CB GLU A 25 -1.196 -6.195 5.870 1.00 0.00 C ATOM 351 CG GLU A 25 -1.196 -5.040 4.882 1.00 0.00 C ATOM 352 CD GLU A 25 -0.121 -4.014 5.186 1.00 0.00 C ATOM 353 OE1 GLU A 25 -0.340 -3.175 6.085 1.00 0.00 O ATOM 354 OE2 GLU A 25 0.938 -4.051 4.525 1.00 0.00 O ATOM 0 H GLU A 25 -1.236 -8.831 5.931 1.00 0.00 H new ATOM 0 HA GLU A 25 0.626 -6.784 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.121 -6.760 5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.189 -5.795 6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.048 -5.428 3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.172 -4.554 4.896 1.00 0.00 H new ATOM 361 N ASP A 26 2.012 -6.585 6.923 1.00 0.00 N ATOM 362 CA ASP A 26 2.901 -6.547 8.080 1.00 0.00 C ATOM 363 C ASP A 26 2.304 -5.700 9.201 1.00 0.00 C ATOM 364 O ASP A 26 1.127 -5.338 9.160 1.00 0.00 O ATOM 365 CB ASP A 26 4.271 -5.995 7.679 1.00 0.00 C ATOM 366 CG ASP A 26 5.411 -6.732 8.352 1.00 0.00 C ATOM 367 OD1 ASP A 26 5.223 -7.205 9.492 1.00 0.00 O ATOM 368 OD2 ASP A 26 6.495 -6.838 7.738 1.00 0.00 O ATOM 0 H ASP A 26 2.381 -6.125 6.091 1.00 0.00 H new ATOM 0 HA ASP A 26 3.021 -7.566 8.447 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.385 -6.065 6.597 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.323 -4.937 7.937 1.00 0.00 H new ATOM 373 N TYR A 27 3.123 -5.387 10.201 1.00 0.00 N ATOM 374 CA TYR A 27 2.676 -4.584 11.335 1.00 0.00 C ATOM 375 C TYR A 27 2.489 -3.127 10.935 1.00 0.00 C ATOM 376 O TYR A 27 1.390 -2.580 11.032 1.00 0.00 O ATOM 377 CB TYR A 27 3.683 -4.677 12.481 1.00 0.00 C ATOM 378 CG TYR A 27 3.909 -6.086 12.972 1.00 0.00 C ATOM 379 CD1 TYR A 27 2.855 -6.982 13.073 1.00 0.00 C ATOM 380 CD2 TYR A 27 5.177 -6.520 13.337 1.00 0.00 C ATOM 381 CE1 TYR A 27 3.056 -8.273 13.523 1.00 0.00 C ATOM 382 CE2 TYR A 27 5.388 -7.808 13.787 1.00 0.00 C ATOM 383 CZ TYR A 27 4.324 -8.681 13.878 1.00 0.00 C ATOM 384 OH TYR A 27 4.528 -9.966 14.328 1.00 0.00 O ATOM 0 H TYR A 27 4.100 -5.677 10.249 1.00 0.00 H new ATOM 0 HA TYR A 27 1.715 -4.979 11.666 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.634 -4.258 12.153 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.334 -4.063 13.311 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.861 -6.665 12.795 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.012 -5.838 13.268 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.225 -8.958 13.596 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.380 -8.130 14.066 1.00 0.00 H new ATOM 0 HH TYR A 27 5.477 -10.093 14.535 1.00 0.00 H new ATOM 394 N ARG A 28 3.570 -2.503 10.484 1.00 0.00 N ATOM 395 CA ARG A 28 3.527 -1.111 10.068 1.00 0.00 C ATOM 396 C ARG A 28 4.705 -0.781 9.160 1.00 0.00 C ATOM 397 O ARG A 28 5.841 -0.656 9.617 1.00 0.00 O ATOM 398 CB ARG A 28 3.531 -0.186 11.285 1.00 0.00 C ATOM 399 CG ARG A 28 4.665 -0.465 12.259 1.00 0.00 C ATOM 400 CD ARG A 28 4.166 -1.177 13.506 1.00 0.00 C ATOM 401 NE ARG A 28 5.183 -1.223 14.555 1.00 0.00 N ATOM 402 CZ ARG A 28 4.941 -1.613 15.804 1.00 0.00 C ATOM 403 NH1 ARG A 28 3.722 -1.997 16.163 1.00 0.00 N ATOM 404 NH2 ARG A 28 5.921 -1.621 16.697 1.00 0.00 N ATOM 0 H ARG A 28 4.487 -2.941 10.398 1.00 0.00 H new ATOM 0 HA ARG A 28 2.604 -0.955 9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.601 0.847 10.945 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.580 -0.285 11.809 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.424 -1.075 11.770 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.143 0.473 12.541 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.279 -0.668 13.883 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.865 -2.192 13.248 1.00 0.00 H new ATOM 0 HE ARG A 28 6.133 -0.940 14.316 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.965 -1.994 15.480 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.543 -2.295 17.122 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.860 -1.328 16.426 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.736 -1.920 17.655 1.00 0.00 H new ATOM 418 N ALA A 29 4.422 -0.642 7.872 1.00 0.00 N ATOM 419 CA ALA A 29 5.450 -0.327 6.885 1.00 0.00 C ATOM 420 C ALA A 29 6.334 -1.537 6.607 1.00 0.00 C ATOM 421 O ALA A 29 7.515 -1.396 6.289 1.00 0.00 O ATOM 422 CB ALA A 29 6.295 0.852 7.349 1.00 0.00 C ATOM 0 H ALA A 29 3.484 -0.743 7.483 1.00 0.00 H new ATOM 0 HA ALA A 29 4.949 -0.053 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.056 1.072 6.600 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.657 1.725 7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.778 0.604 8.294 1.00 0.00 H new ATOM 428 N GLY A 30 5.756 -2.728 6.728 1.00 0.00 N ATOM 429 CA GLY A 30 6.507 -3.944 6.484 1.00 0.00 C ATOM 430 C GLY A 30 6.151 -4.595 5.160 1.00 0.00 C ATOM 431 O GLY A 30 6.456 -5.767 4.936 1.00 0.00 O ATOM 0 H GLY A 30 4.781 -2.872 6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.573 -3.717 6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.321 -4.650 7.293 1.00 0.00 H new ATOM 435 N ASP A 31 5.506 -3.836 4.279 1.00 0.00 N ATOM 436 CA ASP A 31 5.112 -4.348 2.971 1.00 0.00 C ATOM 437 C ASP A 31 4.174 -5.541 3.109 1.00 0.00 C ATOM 438 O ASP A 31 3.800 -5.931 4.217 1.00 0.00 O ATOM 439 CB ASP A 31 6.348 -4.752 2.165 1.00 0.00 C ATOM 440 CG ASP A 31 7.310 -3.598 1.962 1.00 0.00 C ATOM 441 OD1 ASP A 31 7.297 -2.661 2.789 1.00 0.00 O ATOM 442 OD2 ASP A 31 8.077 -3.630 0.977 1.00 0.00 O ATOM 0 H ASP A 31 5.245 -2.864 4.447 1.00 0.00 H new ATOM 0 HA ASP A 31 4.584 -3.553 2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.863 -5.564 2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.035 -5.136 1.194 1.00 0.00 H new ATOM 447 N MET A 32 3.796 -6.117 1.972 1.00 0.00 N ATOM 448 CA MET A 32 2.903 -7.269 1.957 1.00 0.00 C ATOM 449 C MET A 32 3.676 -8.546 1.643 1.00 0.00 C ATOM 450 O MET A 32 4.365 -8.631 0.628 1.00 0.00 O ATOM 451 CB MET A 32 1.787 -7.062 0.931 1.00 0.00 C ATOM 452 CG MET A 32 0.604 -6.274 1.470 1.00 0.00 C ATOM 453 SD MET A 32 -0.824 -7.316 1.830 1.00 0.00 S ATOM 454 CE MET A 32 -1.845 -6.998 0.392 1.00 0.00 C ATOM 0 H MET A 32 4.095 -5.804 1.048 1.00 0.00 H new ATOM 0 HA MET A 32 2.457 -7.370 2.947 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.194 -6.543 0.063 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.438 -8.035 0.585 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.905 -5.751 2.378 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.319 -5.513 0.744 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.768 -7.573 0.467 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.082 -5.935 0.342 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.307 -7.292 -0.509 1.00 0.00 H new ATOM 464 N ILE A 33 3.564 -9.533 2.528 1.00 0.00 N ATOM 465 CA ILE A 33 4.264 -10.802 2.350 1.00 0.00 C ATOM 466 C ILE A 33 3.292 -11.935 2.018 1.00 0.00 C ATOM 467 O ILE A 33 2.274 -12.104 2.688 1.00 0.00 O ATOM 468 CB ILE A 33 5.074 -11.163 3.617 1.00 0.00 C ATOM 469 CG1 ILE A 33 6.034 -12.327 3.342 1.00 0.00 C ATOM 470 CG2 ILE A 33 4.144 -11.492 4.777 1.00 0.00 C ATOM 471 CD1 ILE A 33 5.346 -13.662 3.148 1.00 0.00 C ATOM 0 H ILE A 33 2.996 -9.479 3.374 1.00 0.00 H new ATOM 0 HA ILE A 33 4.949 -10.680 1.511 1.00 0.00 H new ATOM 0 HB ILE A 33 5.670 -10.294 3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.619 -12.099 2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.736 -12.409 4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.735 -11.743 5.658 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.516 -10.629 4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.514 -12.340 4.509 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.093 -14.432 2.958 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.784 -13.915 4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.665 -13.600 2.299 1.00 0.00 H new ATOM 483 N CYS A 34 3.614 -12.715 0.985 1.00 0.00 N ATOM 484 CA CYS A 34 2.762 -13.831 0.578 1.00 0.00 C ATOM 485 C CYS A 34 3.167 -15.112 1.308 1.00 0.00 C ATOM 486 O CYS A 34 4.292 -15.586 1.162 1.00 0.00 O ATOM 487 CB CYS A 34 2.857 -14.030 -0.934 1.00 0.00 C ATOM 488 SG CYS A 34 1.767 -15.308 -1.603 1.00 0.00 S ATOM 0 H CYS A 34 4.454 -12.595 0.418 1.00 0.00 H new ATOM 0 HA CYS A 34 1.730 -13.599 0.843 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.629 -13.084 -1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.887 -14.281 -1.189 1.00 0.00 H new ATOM 493 N PRO A 35 2.259 -15.691 2.115 1.00 0.00 N ATOM 494 CA PRO A 35 2.545 -16.914 2.876 1.00 0.00 C ATOM 495 C PRO A 35 2.970 -18.087 1.996 1.00 0.00 C ATOM 496 O PRO A 35 3.530 -19.066 2.489 1.00 0.00 O ATOM 497 CB PRO A 35 1.218 -17.229 3.581 1.00 0.00 C ATOM 498 CG PRO A 35 0.187 -16.429 2.860 1.00 0.00 C ATOM 499 CD PRO A 35 0.893 -15.203 2.362 1.00 0.00 C ATOM 0 HA PRO A 35 3.382 -16.763 3.557 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.992 -18.294 3.535 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.259 -16.957 4.636 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.240 -16.997 2.033 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.636 -16.164 3.524 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.433 -14.812 1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.877 -14.400 3.099 1.00 0.00 H new ATOM 507 N GLU A 36 2.701 -17.994 0.697 1.00 0.00 N ATOM 508 CA GLU A 36 3.062 -19.066 -0.224 1.00 0.00 C ATOM 509 C GLU A 36 4.466 -18.863 -0.795 1.00 0.00 C ATOM 510 O GLU A 36 5.427 -19.461 -0.310 1.00 0.00 O ATOM 511 CB GLU A 36 2.037 -19.166 -1.354 1.00 0.00 C ATOM 512 CG GLU A 36 0.666 -19.626 -0.890 1.00 0.00 C ATOM 513 CD GLU A 36 0.642 -21.093 -0.503 1.00 0.00 C ATOM 514 OE1 GLU A 36 1.144 -21.426 0.590 1.00 0.00 O ATOM 515 OE2 GLU A 36 0.123 -21.907 -1.296 1.00 0.00 O ATOM 0 H GLU A 36 2.239 -17.196 0.262 1.00 0.00 H new ATOM 0 HA GLU A 36 3.062 -20.001 0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.941 -18.192 -1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.407 -19.859 -2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.355 -19.024 -0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.060 -19.452 -1.685 1.00 0.00 H new ATOM 522 N CYS A 37 4.586 -18.028 -1.826 1.00 0.00 N ATOM 523 CA CYS A 37 5.887 -17.774 -2.443 1.00 0.00 C ATOM 524 C CYS A 37 6.808 -17.017 -1.495 1.00 0.00 C ATOM 525 O CYS A 37 8.032 -17.098 -1.611 1.00 0.00 O ATOM 526 CB CYS A 37 5.743 -16.980 -3.746 1.00 0.00 C ATOM 527 SG CYS A 37 4.849 -15.422 -3.586 1.00 0.00 S ATOM 0 H CYS A 37 3.808 -17.521 -2.248 1.00 0.00 H new ATOM 0 HA CYS A 37 6.325 -18.746 -2.667 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.738 -16.773 -4.141 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.232 -17.603 -4.480 1.00 0.00 H new ATOM 532 N GLY A 38 6.220 -16.271 -0.568 1.00 0.00 N ATOM 533 CA GLY A 38 7.016 -15.503 0.367 1.00 0.00 C ATOM 534 C GLY A 38 7.568 -14.245 -0.267 1.00 0.00 C ATOM 535 O GLY A 38 8.758 -13.953 -0.152 1.00 0.00 O ATOM 0 H GLY A 38 5.211 -16.185 -0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.407 -15.238 1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.839 -16.117 0.734 1.00 0.00 H new ATOM 539 N LEU A 39 6.700 -13.496 -0.945 1.00 0.00 N ATOM 540 CA LEU A 39 7.114 -12.263 -1.603 1.00 0.00 C ATOM 541 C LEU A 39 6.994 -11.082 -0.650 1.00 0.00 C ATOM 542 O LEU A 39 6.503 -11.228 0.465 1.00 0.00 O ATOM 543 CB LEU A 39 6.275 -12.020 -2.865 1.00 0.00 C ATOM 544 CG LEU A 39 4.921 -11.342 -2.634 1.00 0.00 C ATOM 545 CD1 LEU A 39 4.981 -9.877 -3.037 1.00 0.00 C ATOM 546 CD2 LEU A 39 3.822 -12.061 -3.401 1.00 0.00 C ATOM 0 H LEU A 39 5.711 -13.722 -1.052 1.00 0.00 H new ATOM 0 HA LEU A 39 8.159 -12.364 -1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.856 -11.407 -3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.103 -12.978 -3.357 1.00 0.00 H new ATOM 0 HG LEU A 39 4.689 -11.398 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.010 -9.412 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.738 -9.366 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.238 -9.800 -4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.869 -11.563 -3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.049 -12.040 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.760 -13.096 -3.063 1.00 0.00 H new ATOM 558 N VAL A 40 7.447 -9.915 -1.094 1.00 0.00 N ATOM 559 CA VAL A 40 7.392 -8.712 -0.274 1.00 0.00 C ATOM 560 C VAL A 40 7.215 -7.465 -1.137 1.00 0.00 C ATOM 561 O VAL A 40 8.166 -6.993 -1.762 1.00 0.00 O ATOM 562 CB VAL A 40 8.670 -8.559 0.569 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.545 -7.384 1.527 1.00 0.00 C ATOM 564 CG2 VAL A 40 8.965 -9.844 1.327 1.00 0.00 C ATOM 0 H VAL A 40 7.857 -9.777 -2.018 1.00 0.00 H new ATOM 0 HA VAL A 40 6.533 -8.815 0.389 1.00 0.00 H new ATOM 0 HB VAL A 40 9.504 -8.360 -0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.459 -7.294 2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.386 -6.467 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.700 -7.548 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.872 -9.718 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.130 -10.076 1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.104 -10.661 0.619 1.00 0.00 H new ATOM 574 N VAL A 41 5.996 -6.937 -1.168 1.00 0.00 N ATOM 575 CA VAL A 41 5.701 -5.745 -1.955 1.00 0.00 C ATOM 576 C VAL A 41 4.692 -4.848 -1.242 1.00 0.00 C ATOM 577 O VAL A 41 3.516 -5.191 -1.124 1.00 0.00 O ATOM 578 CB VAL A 41 5.152 -6.113 -3.349 1.00 0.00 C ATOM 579 CG1 VAL A 41 4.894 -4.861 -4.174 1.00 0.00 C ATOM 580 CG2 VAL A 41 6.114 -7.045 -4.070 1.00 0.00 C ATOM 0 H VAL A 41 5.197 -7.315 -0.658 1.00 0.00 H new ATOM 0 HA VAL A 41 6.640 -5.205 -2.074 1.00 0.00 H new ATOM 0 HB VAL A 41 4.203 -6.633 -3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.507 -5.144 -5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.164 -4.233 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.825 -4.308 -4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.712 -7.295 -5.052 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.079 -6.552 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.242 -7.957 -3.488 1.00 0.00 H new ATOM 590 N GLY A 42 5.162 -3.697 -0.770 1.00 0.00 N ATOM 591 CA GLY A 42 4.288 -2.767 -0.077 1.00 0.00 C ATOM 592 C GLY A 42 5.057 -1.755 0.751 1.00 0.00 C ATOM 593 O GLY A 42 4.657 -1.426 1.868 1.00 0.00 O ATOM 0 H GLY A 42 6.132 -3.392 -0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.671 -2.242 -0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.611 -3.324 0.572 1.00 0.00 H new ATOM 597 N ASP A 43 6.161 -1.260 0.204 1.00 0.00 N ATOM 598 CA ASP A 43 6.984 -0.280 0.902 1.00 0.00 C ATOM 599 C ASP A 43 6.382 1.117 0.794 1.00 0.00 C ATOM 600 O ASP A 43 6.086 1.592 -0.303 1.00 0.00 O ATOM 601 CB ASP A 43 8.406 -0.280 0.334 1.00 0.00 C ATOM 602 CG ASP A 43 9.376 0.490 1.207 1.00 0.00 C ATOM 603 OD1 ASP A 43 9.139 0.572 2.430 1.00 0.00 O ATOM 604 OD2 ASP A 43 10.376 1.011 0.667 1.00 0.00 O ATOM 0 H ASP A 43 6.507 -1.521 -0.720 1.00 0.00 H new ATOM 0 HA ASP A 43 7.019 -0.559 1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.753 -1.308 0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.395 0.156 -0.665 1.00 0.00 H new ATOM 609 N ARG A 44 6.203 1.770 1.938 1.00 0.00 N ATOM 610 CA ARG A 44 5.637 3.113 1.971 1.00 0.00 C ATOM 611 C ARG A 44 6.533 4.062 2.757 1.00 0.00 C ATOM 612 O ARG A 44 7.607 3.677 3.222 1.00 0.00 O ATOM 613 CB ARG A 44 4.235 3.084 2.586 1.00 0.00 C ATOM 614 CG ARG A 44 4.218 2.671 4.048 1.00 0.00 C ATOM 615 CD ARG A 44 3.007 3.238 4.775 1.00 0.00 C ATOM 616 NE ARG A 44 2.179 2.187 5.362 1.00 0.00 N ATOM 617 CZ ARG A 44 2.427 1.616 6.539 1.00 0.00 C ATOM 618 NH1 ARG A 44 3.475 1.992 7.261 1.00 0.00 N ATOM 619 NH2 ARG A 44 1.622 0.666 6.994 1.00 0.00 N ATOM 0 H ARG A 44 6.442 1.390 2.854 1.00 0.00 H new ATOM 0 HA ARG A 44 5.567 3.477 0.946 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.786 4.073 2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.612 2.395 2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.210 1.583 4.120 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.130 3.016 4.535 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.340 3.917 5.559 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.408 3.825 4.079 1.00 0.00 H new ATOM 0 HE ARG A 44 1.362 1.872 4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.097 2.723 6.915 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.659 1.550 8.162 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.815 0.374 6.443 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.810 0.227 7.895 1.00 0.00 H new ATOM 633 N VAL A 45 6.086 5.307 2.902 1.00 0.00 N ATOM 634 CA VAL A 45 6.844 6.315 3.632 1.00 0.00 C ATOM 635 C VAL A 45 8.283 6.396 3.127 1.00 0.00 C ATOM 636 O VAL A 45 9.206 5.885 3.764 1.00 0.00 O ATOM 637 CB VAL A 45 6.850 6.019 5.144 1.00 0.00 C ATOM 638 CG1 VAL A 45 7.613 7.094 5.907 1.00 0.00 C ATOM 639 CG2 VAL A 45 5.425 5.893 5.667 1.00 0.00 C ATOM 0 H VAL A 45 5.200 5.641 2.522 1.00 0.00 H new ATOM 0 HA VAL A 45 6.353 7.273 3.459 1.00 0.00 H new ATOM 0 HB VAL A 45 7.361 5.069 5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.602 6.861 6.972 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.644 7.129 5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.140 8.062 5.742 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.447 5.684 6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.889 6.826 5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.918 5.079 5.149 1.00 0.00 H new ATOM 649 N ILE A 46 8.466 7.039 1.980 1.00 0.00 N ATOM 650 CA ILE A 46 9.791 7.186 1.389 1.00 0.00 C ATOM 651 C ILE A 46 10.012 8.609 0.885 1.00 0.00 C ATOM 652 O ILE A 46 10.360 8.823 -0.277 1.00 0.00 O ATOM 653 CB ILE A 46 9.999 6.198 0.225 1.00 0.00 C ATOM 654 CG1 ILE A 46 9.594 4.784 0.647 1.00 0.00 C ATOM 655 CG2 ILE A 46 11.448 6.225 -0.238 1.00 0.00 C ATOM 656 CD1 ILE A 46 8.240 4.362 0.118 1.00 0.00 C ATOM 0 H ILE A 46 7.714 7.467 1.440 1.00 0.00 H new ATOM 0 HA ILE A 46 10.516 6.966 2.173 1.00 0.00 H new ATOM 0 HB ILE A 46 9.365 6.502 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.348 4.079 0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.584 4.727 1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 46 11.580 5.522 -1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.704 7.230 -0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 46 12.100 5.942 0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.017 3.350 0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.476 5.045 0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.251 4.387 -0.972 1.00 0.00 H new ATOM 668 N ASP A 47 9.809 9.581 1.769 1.00 0.00 N ATOM 669 CA ASP A 47 9.986 10.983 1.414 1.00 0.00 C ATOM 670 C ASP A 47 11.461 11.306 1.195 1.00 0.00 C ATOM 671 O ASP A 47 12.324 10.439 1.336 1.00 0.00 O ATOM 672 CB ASP A 47 9.413 11.884 2.510 1.00 0.00 C ATOM 673 CG ASP A 47 10.007 11.587 3.873 1.00 0.00 C ATOM 674 OD1 ASP A 47 11.194 11.203 3.931 1.00 0.00 O ATOM 675 OD2 ASP A 47 9.287 11.740 4.881 1.00 0.00 O ATOM 0 H ASP A 47 9.522 9.423 2.735 1.00 0.00 H new ATOM 0 HA ASP A 47 9.449 11.167 0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.601 12.927 2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.331 11.756 2.553 1.00 0.00 H new ATOM 680 N VAL A 48 11.742 12.557 0.848 1.00 0.00 N ATOM 681 CA VAL A 48 13.112 12.994 0.610 1.00 0.00 C ATOM 682 C VAL A 48 13.875 13.149 1.921 1.00 0.00 C ATOM 683 O VAL A 48 13.729 14.150 2.622 1.00 0.00 O ATOM 684 CB VAL A 48 13.150 14.332 -0.154 1.00 0.00 C ATOM 685 CG1 VAL A 48 14.573 14.672 -0.566 1.00 0.00 C ATOM 686 CG2 VAL A 48 12.234 14.279 -1.366 1.00 0.00 C ATOM 0 H VAL A 48 11.039 13.286 0.725 1.00 0.00 H new ATOM 0 HA VAL A 48 13.589 12.224 0.004 1.00 0.00 H new ATOM 0 HB VAL A 48 12.792 15.119 0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 48 14.579 15.620 -1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 48 15.199 14.755 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 48 14.962 13.885 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.273 15.232 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 48 12.559 13.481 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.212 14.086 -1.041 1.00 0.00 H new ATOM 696 N GLY A 49 14.690 12.151 2.248 1.00 0.00 N ATOM 697 CA GLY A 49 15.463 12.196 3.475 1.00 0.00 C ATOM 698 C GLY A 49 14.585 12.201 4.711 1.00 0.00 C ATOM 699 O GLY A 49 13.533 12.840 4.731 1.00 0.00 O ATOM 0 H GLY A 49 14.829 11.312 1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.132 11.336 3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.090 13.088 3.474 1.00 0.00 H new ATOM 703 N SER A 50 15.017 11.485 5.743 1.00 0.00 N ATOM 704 CA SER A 50 14.262 11.408 6.988 1.00 0.00 C ATOM 705 C SER A 50 15.051 10.658 8.056 1.00 0.00 C ATOM 706 O SER A 50 14.921 9.442 8.200 1.00 0.00 O ATOM 707 CB SER A 50 12.917 10.719 6.752 1.00 0.00 C ATOM 708 OG SER A 50 12.992 9.814 5.666 1.00 0.00 O ATOM 0 H SER A 50 15.885 10.950 5.742 1.00 0.00 H new ATOM 0 HA SER A 50 14.084 12.424 7.340 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.615 10.186 7.653 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.151 11.468 6.553 1.00 0.00 H new ATOM 0 HG SER A 50 12.417 10.129 4.938 1.00 0.00 H new ATOM 714 N GLU A 51 15.870 11.392 8.804 1.00 0.00 N ATOM 715 CA GLU A 51 16.680 10.796 9.859 1.00 0.00 C ATOM 716 C GLU A 51 16.007 10.956 11.219 1.00 0.00 C ATOM 717 O GLU A 51 16.153 10.108 12.099 1.00 0.00 O ATOM 718 CB GLU A 51 18.070 11.436 9.885 1.00 0.00 C ATOM 719 CG GLU A 51 19.119 10.586 10.584 1.00 0.00 C ATOM 720 CD GLU A 51 19.557 11.173 11.911 1.00 0.00 C ATOM 721 OE1 GLU A 51 18.851 10.955 12.918 1.00 0.00 O ATOM 722 OE2 GLU A 51 20.607 11.848 11.944 1.00 0.00 O ATOM 0 H GLU A 51 15.989 12.399 8.698 1.00 0.00 H new ATOM 0 HA GLU A 51 16.781 9.731 9.648 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.392 11.627 8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.006 12.403 10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.720 9.585 10.748 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.987 10.480 9.934 1.00 0.00 H new ATOM 729 N TRP A 52 15.271 12.050 11.383 1.00 0.00 N ATOM 730 CA TRP A 52 14.574 12.320 12.636 1.00 0.00 C ATOM 731 C TRP A 52 13.515 11.259 12.911 1.00 0.00 C ATOM 732 O TRP A 52 13.684 10.412 13.788 1.00 0.00 O ATOM 733 CB TRP A 52 13.925 13.705 12.593 1.00 0.00 C ATOM 734 CG TRP A 52 14.913 14.828 12.694 1.00 0.00 C ATOM 735 CD1 TRP A 52 15.485 15.318 13.833 1.00 0.00 C ATOM 736 CD2 TRP A 52 15.443 15.602 11.612 1.00 0.00 C ATOM 737 NE1 TRP A 52 16.338 16.350 13.525 1.00 0.00 N ATOM 738 CE2 TRP A 52 16.331 16.544 12.168 1.00 0.00 C ATOM 739 CE3 TRP A 52 15.257 15.591 10.226 1.00 0.00 C ATOM 740 CZ2 TRP A 52 17.027 17.463 11.388 1.00 0.00 C ATOM 741 CZ3 TRP A 52 15.949 16.504 9.453 1.00 0.00 C ATOM 742 CH2 TRP A 52 16.824 17.429 10.036 1.00 0.00 C ATOM 0 H TRP A 52 15.142 12.763 10.665 1.00 0.00 H new ATOM 0 HA TRP A 52 15.306 12.293 13.443 1.00 0.00 H new ATOM 0 HB2 TRP A 52 13.364 13.807 11.664 1.00 0.00 H new ATOM 0 HB3 TRP A 52 13.207 13.788 13.409 1.00 0.00 H new ATOM 0 HD1 TRP A 52 15.295 14.948 14.830 1.00 0.00 H new ATOM 0 HE1 TRP A 52 16.888 16.885 14.197 1.00 0.00 H new ATOM 0 HE3 TRP A 52 14.584 14.881 9.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 17.703 18.177 11.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 15.813 16.504 8.382 1.00 0.00 H new ATOM 0 HH2 TRP A 52 17.350 18.130 9.405 1.00 0.00 H new ATOM 753 N ARG A 53 12.421 11.310 12.158 1.00 0.00 N ATOM 754 CA ARG A 53 11.335 10.352 12.322 1.00 0.00 C ATOM 755 C ARG A 53 10.397 10.381 11.119 1.00 0.00 C ATOM 756 O ARG A 53 10.469 11.282 10.283 1.00 0.00 O ATOM 757 CB ARG A 53 10.553 10.652 13.603 1.00 0.00 C ATOM 758 CG ARG A 53 10.319 9.428 14.473 1.00 0.00 C ATOM 759 CD ARG A 53 11.478 9.195 15.429 1.00 0.00 C ATOM 760 NE ARG A 53 11.803 10.394 16.198 1.00 0.00 N ATOM 761 CZ ARG A 53 12.961 10.579 16.828 1.00 0.00 C ATOM 762 NH1 ARG A 53 13.905 9.648 16.782 1.00 0.00 N ATOM 763 NH2 ARG A 53 13.176 11.699 17.505 1.00 0.00 N ATOM 0 H ARG A 53 12.264 12.005 11.428 1.00 0.00 H new ATOM 0 HA ARG A 53 11.770 9.355 12.395 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.093 11.401 14.182 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.590 11.088 13.337 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.397 9.555 15.041 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.186 8.551 13.840 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.227 8.383 16.112 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.355 8.877 14.865 1.00 0.00 H new ATOM 0 HE ARG A 53 11.102 11.132 16.256 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.745 8.785 16.262 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.790 9.795 17.267 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.454 12.419 17.543 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.063 11.841 17.988 1.00 0.00 H new ATOM 777 N THR A 54 9.518 9.387 11.036 1.00 0.00 N ATOM 778 CA THR A 54 8.566 9.299 9.936 1.00 0.00 C ATOM 779 C THR A 54 7.308 10.108 10.239 1.00 0.00 C ATOM 780 O THR A 54 6.638 9.877 11.246 1.00 0.00 O ATOM 781 CB THR A 54 8.195 7.839 9.669 1.00 0.00 C ATOM 782 OG1 THR A 54 7.324 7.351 10.674 1.00 0.00 O ATOM 783 CG2 THR A 54 9.395 6.917 9.616 1.00 0.00 C ATOM 0 H THR A 54 9.446 8.632 11.718 1.00 0.00 H new ATOM 0 HA THR A 54 9.039 9.715 9.046 1.00 0.00 H new ATOM 0 HB THR A 54 7.712 7.838 8.692 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.115 8.072 11.304 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.062 5.897 9.424 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.065 7.237 8.818 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.923 6.952 10.569 1.00 0.00 H new ATOM 791 N PHE A 55 6.993 11.055 9.361 1.00 0.00 N ATOM 792 CA PHE A 55 5.816 11.898 9.535 1.00 0.00 C ATOM 793 C PHE A 55 4.923 11.847 8.299 1.00 0.00 C ATOM 794 O PHE A 55 5.407 11.912 7.169 1.00 0.00 O ATOM 795 CB PHE A 55 6.234 13.341 9.818 1.00 0.00 C ATOM 796 CG PHE A 55 7.094 13.939 8.742 1.00 0.00 C ATOM 797 CD1 PHE A 55 8.420 13.558 8.607 1.00 0.00 C ATOM 798 CD2 PHE A 55 6.579 14.878 7.865 1.00 0.00 C ATOM 799 CE1 PHE A 55 9.215 14.105 7.617 1.00 0.00 C ATOM 800 CE2 PHE A 55 7.368 15.429 6.874 1.00 0.00 C ATOM 801 CZ PHE A 55 8.688 15.042 6.749 1.00 0.00 C ATOM 0 H PHE A 55 7.537 11.258 8.522 1.00 0.00 H new ATOM 0 HA PHE A 55 5.250 11.518 10.386 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.340 13.953 9.939 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.774 13.375 10.764 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.837 12.826 9.283 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.547 15.184 7.957 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.247 13.800 7.522 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.953 16.162 6.198 1.00 0.00 H new ATOM 0 HZ PHE A 55 9.307 15.471 5.975 1.00 0.00 H new ATOM 811 N SER A 56 3.618 11.733 8.522 1.00 0.00 N ATOM 812 CA SER A 56 2.657 11.674 7.426 1.00 0.00 C ATOM 813 C SER A 56 1.267 12.090 7.898 1.00 0.00 C ATOM 814 O SER A 56 0.997 12.138 9.098 1.00 0.00 O ATOM 815 CB SER A 56 2.609 10.262 6.839 1.00 0.00 C ATOM 816 OG SER A 56 2.500 10.300 5.426 1.00 0.00 O ATOM 0 H SER A 56 3.201 11.680 9.451 1.00 0.00 H new ATOM 0 HA SER A 56 2.981 12.371 6.653 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.509 9.716 7.123 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.761 9.719 7.258 1.00 0.00 H new ATOM 0 HG SER A 56 2.473 9.385 5.075 1.00 0.00 H new ATOM 822 N ASN A 57 0.390 12.391 6.947 1.00 0.00 N ATOM 823 CA ASN A 57 -0.972 12.803 7.264 1.00 0.00 C ATOM 824 C ASN A 57 -0.977 14.082 8.096 1.00 0.00 C ATOM 825 O ASN A 57 -1.807 14.252 8.988 1.00 0.00 O ATOM 826 CB ASN A 57 -1.703 11.689 8.017 1.00 0.00 C ATOM 827 CG ASN A 57 -2.438 10.746 7.084 1.00 0.00 C ATOM 828 OD1 ASN A 57 -1.845 9.831 6.513 1.00 0.00 O ATOM 829 ND2 ASN A 57 -3.737 10.969 6.921 1.00 0.00 N ATOM 0 H ASN A 57 0.598 12.357 5.949 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.491 13.000 6.326 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.984 11.123 8.609 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.413 12.132 8.715 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.284 10.370 6.302 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.188 11.739 7.414 1.00 0.00 H new ATOM 836 N ASP A 58 -0.044 14.980 7.796 1.00 0.00 N ATOM 837 CA ASP A 58 0.058 16.244 8.515 1.00 0.00 C ATOM 838 C ASP A 58 0.756 17.301 7.665 1.00 0.00 C ATOM 839 O ASP A 58 0.300 18.440 7.576 1.00 0.00 O ATOM 840 CB ASP A 58 0.817 16.047 9.830 1.00 0.00 C ATOM 841 CG ASP A 58 0.229 16.863 10.965 1.00 0.00 C ATOM 842 OD1 ASP A 58 -0.890 16.536 11.414 1.00 0.00 O ATOM 843 OD2 ASP A 58 0.888 17.828 11.405 1.00 0.00 O ATOM 0 H ASP A 58 0.652 14.856 7.060 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.952 16.590 8.734 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.803 14.991 10.100 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.861 16.326 9.689 1.00 0.00 H new ATOM 848 N LYS A 59 1.866 16.914 7.044 1.00 0.00 N ATOM 849 CA LYS A 59 2.626 17.829 6.200 1.00 0.00 C ATOM 850 C LYS A 59 2.271 17.636 4.729 1.00 0.00 C ATOM 851 O LYS A 59 1.767 16.585 4.334 1.00 0.00 O ATOM 852 CB LYS A 59 4.127 17.617 6.407 1.00 0.00 C ATOM 853 CG LYS A 59 4.931 18.907 6.390 1.00 0.00 C ATOM 854 CD LYS A 59 4.577 19.799 7.569 1.00 0.00 C ATOM 855 CE LYS A 59 5.536 20.972 7.689 1.00 0.00 C ATOM 856 NZ LYS A 59 5.587 21.508 9.076 1.00 0.00 N ATOM 857 OXT LYS A 59 2.528 18.689 3.797 1.00 0.00 O ATOM 0 H LYS A 59 2.258 15.975 7.109 1.00 0.00 H new ATOM 0 HA LYS A 59 2.366 18.848 6.486 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.286 17.112 7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.503 16.954 5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.995 18.674 6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.744 19.442 5.459 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.559 20.171 7.452 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.599 19.214 8.488 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.534 20.657 7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.229 21.763 7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.252 22.307 9.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.640 21.832 9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.905 20.761 9.726 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.586 -15.832 -3.681 1.00 0.00 ZN