USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=9 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= 0.00827 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 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 161:sc= 0 (180deg=-0.509) USER MOD Single : A 50 SER OG : rot -150:sc= -0.932 USER MOD Single : A 54 THR OG1 : rot -107:sc= -0.0136 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.458 X(o=-0.46,f=-0.02) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -11.682 3.839 -16.295 1.00 0.00 N ATOM 2 CA ALA A 2 -11.481 5.068 -17.104 1.00 0.00 C ATOM 3 C ALA A 2 -12.807 5.595 -17.639 1.00 0.00 C ATOM 4 O ALA A 2 -12.981 6.800 -17.820 1.00 0.00 O ATOM 5 CB ALA A 2 -10.521 4.792 -18.251 1.00 0.00 C ATOM 0 HA ALA A 2 -11.049 5.833 -16.458 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.382 5.701 -18.836 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.560 4.468 -17.851 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.932 4.009 -18.889 1.00 0.00 H new ATOM 13 N SER A 3 -13.741 4.683 -17.892 1.00 0.00 N ATOM 14 CA SER A 3 -15.053 5.055 -18.406 1.00 0.00 C ATOM 15 C SER A 3 -16.160 4.337 -17.642 1.00 0.00 C ATOM 16 O SER A 3 -17.066 4.971 -17.100 1.00 0.00 O ATOM 17 CB SER A 3 -15.151 4.727 -19.898 1.00 0.00 C ATOM 18 OG SER A 3 -13.866 4.657 -20.490 1.00 0.00 O ATOM 0 H SER A 3 -13.613 3.681 -17.749 1.00 0.00 H new ATOM 0 HA SER A 3 -15.179 6.129 -18.268 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.669 3.777 -20.031 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.746 5.488 -20.403 1.00 0.00 H new ATOM 0 HG SER A 3 -13.956 4.445 -21.442 1.00 0.00 H new ATOM 24 N THR A 4 -16.081 3.011 -17.604 1.00 0.00 N ATOM 25 CA THR A 4 -17.076 2.205 -16.906 1.00 0.00 C ATOM 26 C THR A 4 -16.504 1.632 -15.614 1.00 0.00 C ATOM 27 O THR A 4 -17.170 1.624 -14.578 1.00 0.00 O ATOM 28 CB THR A 4 -17.567 1.072 -17.808 1.00 0.00 C ATOM 29 OG1 THR A 4 -16.516 0.590 -18.625 1.00 0.00 O ATOM 30 CG2 THR A 4 -18.705 1.481 -18.718 1.00 0.00 C ATOM 0 H THR A 4 -15.338 2.472 -18.048 1.00 0.00 H new ATOM 0 HA THR A 4 -17.918 2.850 -16.653 1.00 0.00 H new ATOM 0 HB THR A 4 -17.926 0.298 -17.129 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.850 -0.135 -19.193 1.00 0.00 H new ATOM 0 HG21 THR A 4 -19.005 0.631 -19.330 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.552 1.811 -18.116 1.00 0.00 H new ATOM 0 HG23 THR A 4 -18.379 2.296 -19.364 1.00 0.00 H new ATOM 38 N SER A 5 -15.266 1.153 -15.682 1.00 0.00 N ATOM 39 CA SER A 5 -14.604 0.579 -14.516 1.00 0.00 C ATOM 40 C SER A 5 -13.585 1.553 -13.934 1.00 0.00 C ATOM 41 O SER A 5 -12.546 1.816 -14.541 1.00 0.00 O ATOM 42 CB SER A 5 -13.915 -0.735 -14.889 1.00 0.00 C ATOM 43 OG SER A 5 -14.737 -1.518 -15.738 1.00 0.00 O ATOM 0 H SER A 5 -14.701 1.151 -16.531 1.00 0.00 H new ATOM 0 HA SER A 5 -15.364 0.381 -13.760 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.968 -0.525 -15.387 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.681 -1.297 -13.984 1.00 0.00 H new ATOM 0 HG SER A 5 -14.274 -2.352 -15.964 1.00 0.00 H new ATOM 49 N ARG A 6 -13.889 2.085 -12.754 1.00 0.00 N ATOM 50 CA ARG A 6 -12.999 3.030 -12.090 1.00 0.00 C ATOM 51 C ARG A 6 -12.629 2.539 -10.694 1.00 0.00 C ATOM 52 O ARG A 6 -12.426 3.336 -9.778 1.00 0.00 O ATOM 53 CB ARG A 6 -13.659 4.407 -12.000 1.00 0.00 C ATOM 54 CG ARG A 6 -13.585 5.203 -13.293 1.00 0.00 C ATOM 55 CD ARG A 6 -14.927 5.236 -14.010 1.00 0.00 C ATOM 56 NE ARG A 6 -15.479 6.588 -14.074 1.00 0.00 N ATOM 57 CZ ARG A 6 -16.761 6.854 -14.319 1.00 0.00 C ATOM 58 NH1 ARG A 6 -17.623 5.867 -14.524 1.00 0.00 N ATOM 59 NH2 ARG A 6 -17.179 8.112 -14.360 1.00 0.00 N ATOM 0 H ARG A 6 -14.744 1.878 -12.239 1.00 0.00 H new ATOM 0 HA ARG A 6 -12.087 3.110 -12.682 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -14.705 4.282 -11.720 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -13.182 4.978 -11.204 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -13.263 6.221 -13.076 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.833 4.764 -13.948 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -14.808 4.844 -15.020 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.630 4.581 -13.495 1.00 0.00 H new ATOM 0 HE ARG A 6 -14.846 7.373 -13.922 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.305 4.898 -14.494 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.603 6.077 -14.711 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.519 8.874 -14.204 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -18.160 8.317 -14.548 1.00 0.00 H new ATOM 73 N LEU A 7 -12.543 1.221 -10.540 1.00 0.00 N ATOM 74 CA LEU A 7 -12.197 0.625 -9.255 1.00 0.00 C ATOM 75 C LEU A 7 -12.034 -0.886 -9.382 1.00 0.00 C ATOM 76 O LEU A 7 -12.953 -1.586 -9.808 1.00 0.00 O ATOM 77 CB LEU A 7 -13.270 0.948 -8.213 1.00 0.00 C ATOM 78 CG LEU A 7 -14.712 0.787 -8.699 1.00 0.00 C ATOM 79 CD1 LEU A 7 -15.279 -0.554 -8.257 1.00 0.00 C ATOM 80 CD2 LEU A 7 -15.579 1.928 -8.186 1.00 0.00 C ATOM 0 H LEU A 7 -12.708 0.547 -11.288 1.00 0.00 H new ATOM 0 HA LEU A 7 -11.247 1.049 -8.931 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.120 0.303 -7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.129 1.974 -7.874 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.712 0.818 -9.789 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -16.305 -0.650 -8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.674 -1.360 -8.673 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.264 -0.614 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -16.601 1.797 -8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -15.571 1.929 -7.096 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -15.186 2.876 -8.552 1.00 0.00 H new ATOM 92 N ASP A 8 -10.858 -1.383 -9.011 1.00 0.00 N ATOM 93 CA ASP A 8 -10.574 -2.811 -9.084 1.00 0.00 C ATOM 94 C ASP A 8 -9.748 -3.262 -7.884 1.00 0.00 C ATOM 95 O ASP A 8 -9.011 -2.474 -7.293 1.00 0.00 O ATOM 96 CB ASP A 8 -9.832 -3.139 -10.381 1.00 0.00 C ATOM 97 CG ASP A 8 -10.777 -3.500 -11.511 1.00 0.00 C ATOM 98 OD1 ASP A 8 -11.284 -2.575 -12.179 1.00 0.00 O ATOM 99 OD2 ASP A 8 -11.009 -4.708 -11.728 1.00 0.00 O ATOM 0 H ASP A 8 -10.087 -0.817 -8.657 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.523 -3.347 -9.072 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.226 -2.282 -10.677 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.147 -3.968 -10.205 1.00 0.00 H new ATOM 104 N ALA A 9 -9.878 -4.536 -7.528 1.00 0.00 N ATOM 105 CA ALA A 9 -9.143 -5.092 -6.397 1.00 0.00 C ATOM 106 C ALA A 9 -9.503 -4.371 -5.102 1.00 0.00 C ATOM 107 O ALA A 9 -8.629 -3.875 -4.390 1.00 0.00 O ATOM 108 CB ALA A 9 -7.645 -5.013 -6.652 1.00 0.00 C ATOM 0 H ALA A 9 -10.485 -5.202 -8.006 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.426 -6.139 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.108 -5.431 -5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.398 -5.580 -7.550 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.354 -3.972 -6.789 1.00 0.00 H new ATOM 114 N LEU A 10 -10.797 -4.318 -4.801 1.00 0.00 N ATOM 115 CA LEU A 10 -11.274 -3.659 -3.592 1.00 0.00 C ATOM 116 C LEU A 10 -10.926 -4.473 -2.346 1.00 0.00 C ATOM 117 O LEU A 10 -10.319 -3.955 -1.409 1.00 0.00 O ATOM 118 CB LEU A 10 -12.787 -3.438 -3.669 1.00 0.00 C ATOM 119 CG LEU A 10 -13.260 -2.047 -3.243 1.00 0.00 C ATOM 120 CD1 LEU A 10 -13.015 -1.036 -4.352 1.00 0.00 C ATOM 121 CD2 LEU A 10 -14.733 -2.078 -2.863 1.00 0.00 C ATOM 0 H LEU A 10 -11.533 -4.724 -5.378 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.776 -2.692 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.114 -3.618 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.280 -4.181 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.686 -1.742 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.358 -0.053 -4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.949 -0.993 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.562 -1.336 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.052 -1.080 -2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -15.323 -2.405 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -14.881 -2.771 -2.035 1.00 0.00 H new ATOM 133 N PRO A 11 -11.308 -5.763 -2.318 1.00 0.00 N ATOM 134 CA PRO A 11 -11.034 -6.639 -1.176 1.00 0.00 C ATOM 135 C PRO A 11 -9.573 -7.076 -1.117 1.00 0.00 C ATOM 136 O PRO A 11 -9.251 -8.240 -1.357 1.00 0.00 O ATOM 137 CB PRO A 11 -11.944 -7.839 -1.430 1.00 0.00 C ATOM 138 CG PRO A 11 -12.096 -7.891 -2.911 1.00 0.00 C ATOM 139 CD PRO A 11 -12.039 -6.465 -3.391 1.00 0.00 C ATOM 0 HA PRO A 11 -11.217 -6.141 -0.224 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.504 -8.759 -1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.908 -7.716 -0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.302 -8.486 -3.363 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.041 -8.358 -3.189 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.521 -6.385 -4.347 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.037 -6.050 -3.533 1.00 0.00 H new ATOM 147 N ARG A 12 -8.691 -6.134 -0.796 1.00 0.00 N ATOM 148 CA ARG A 12 -7.265 -6.421 -0.702 1.00 0.00 C ATOM 149 C ARG A 12 -6.728 -6.963 -2.024 1.00 0.00 C ATOM 150 O ARG A 12 -7.496 -7.347 -2.906 1.00 0.00 O ATOM 151 CB ARG A 12 -6.998 -7.426 0.419 1.00 0.00 C ATOM 152 CG ARG A 12 -7.261 -6.871 1.811 1.00 0.00 C ATOM 153 CD ARG A 12 -8.002 -7.872 2.684 1.00 0.00 C ATOM 154 NE ARG A 12 -9.334 -7.398 3.049 1.00 0.00 N ATOM 155 CZ ARG A 12 -9.567 -6.512 4.015 1.00 0.00 C ATOM 156 NH1 ARG A 12 -8.561 -6.003 4.714 1.00 0.00 N ATOM 157 NH2 ARG A 12 -10.810 -6.134 4.281 1.00 0.00 N ATOM 0 H ARG A 12 -8.940 -5.165 -0.597 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.748 -5.488 -0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.623 -8.305 0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.961 -7.757 0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.314 -6.607 2.283 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.845 -5.954 1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.087 -8.821 2.155 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.424 -8.062 3.589 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.133 -7.767 2.534 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.603 -6.290 4.512 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.745 -5.325 5.453 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.587 -6.522 3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.989 -5.455 5.021 1.00 0.00 H new ATOM 171 N VAL A 13 -5.405 -6.993 -2.151 1.00 0.00 N ATOM 172 CA VAL A 13 -4.765 -7.492 -3.362 1.00 0.00 C ATOM 173 C VAL A 13 -4.451 -8.978 -3.241 1.00 0.00 C ATOM 174 O VAL A 13 -4.386 -9.520 -2.138 1.00 0.00 O ATOM 175 CB VAL A 13 -3.464 -6.726 -3.667 1.00 0.00 C ATOM 176 CG1 VAL A 13 -2.928 -7.106 -5.037 1.00 0.00 C ATOM 177 CG2 VAL A 13 -3.694 -5.225 -3.574 1.00 0.00 C ATOM 0 H VAL A 13 -4.756 -6.678 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.468 -7.336 -4.180 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.718 -7.003 -2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.009 -6.554 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.722 -8.176 -5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.668 -6.861 -5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.764 -4.700 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.456 -4.928 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.027 -4.970 -2.568 1.00 0.00 H new ATOM 187 N THR A 14 -4.262 -9.637 -4.380 1.00 0.00 N ATOM 188 CA THR A 14 -3.960 -11.063 -4.394 1.00 0.00 C ATOM 189 C THR A 14 -2.686 -11.348 -5.184 1.00 0.00 C ATOM 190 O THR A 14 -2.348 -10.624 -6.121 1.00 0.00 O ATOM 191 CB THR A 14 -5.129 -11.847 -4.994 1.00 0.00 C ATOM 192 OG1 THR A 14 -5.484 -11.325 -6.263 1.00 0.00 O ATOM 193 CG2 THR A 14 -6.369 -11.831 -4.127 1.00 0.00 C ATOM 0 H THR A 14 -4.313 -9.207 -5.303 1.00 0.00 H new ATOM 0 HA THR A 14 -3.804 -11.382 -3.364 1.00 0.00 H new ATOM 0 HB THR A 14 -4.776 -12.875 -5.074 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.232 -11.840 -6.631 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.159 -12.405 -4.611 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.141 -12.274 -3.157 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.702 -10.803 -3.987 1.00 0.00 H new ATOM 201 N CYS A 15 -1.988 -12.412 -4.800 1.00 0.00 N ATOM 202 CA CYS A 15 -0.753 -12.805 -5.467 1.00 0.00 C ATOM 203 C CYS A 15 -1.021 -13.167 -6.928 1.00 0.00 C ATOM 204 O CYS A 15 -1.988 -13.866 -7.233 1.00 0.00 O ATOM 205 CB CYS A 15 -0.127 -13.996 -4.740 1.00 0.00 C ATOM 206 SG CYS A 15 1.477 -14.519 -5.394 1.00 0.00 S ATOM 0 H CYS A 15 -2.259 -13.020 -4.027 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.061 -11.963 -5.441 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.010 -13.741 -3.687 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.817 -14.838 -4.789 1.00 0.00 H new ATOM 211 N PRO A 16 -0.169 -12.695 -7.857 1.00 0.00 N ATOM 212 CA PRO A 16 -0.330 -12.976 -9.289 1.00 0.00 C ATOM 213 C PRO A 16 -0.195 -14.462 -9.614 1.00 0.00 C ATOM 214 O PRO A 16 -0.688 -14.928 -10.641 1.00 0.00 O ATOM 215 CB PRO A 16 0.806 -12.181 -9.945 1.00 0.00 C ATOM 216 CG PRO A 16 1.803 -11.968 -8.859 1.00 0.00 C ATOM 217 CD PRO A 16 1.010 -11.853 -7.590 1.00 0.00 C ATOM 0 HA PRO A 16 -1.323 -12.697 -9.643 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.242 -12.731 -10.779 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.446 -11.232 -10.342 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.507 -12.799 -8.806 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.388 -11.066 -9.037 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.574 -12.210 -6.728 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.730 -10.820 -7.382 1.00 0.00 H new ATOM 225 N ASN A 17 0.480 -15.201 -8.737 1.00 0.00 N ATOM 226 CA ASN A 17 0.681 -16.633 -8.938 1.00 0.00 C ATOM 227 C ASN A 17 -0.007 -17.457 -7.850 1.00 0.00 C ATOM 228 O ASN A 17 -0.113 -18.679 -7.964 1.00 0.00 O ATOM 229 CB ASN A 17 2.177 -16.955 -8.968 1.00 0.00 C ATOM 230 CG ASN A 17 2.721 -17.046 -10.380 1.00 0.00 C ATOM 231 OD1 ASN A 17 2.692 -18.109 -11.002 1.00 0.00 O ATOM 232 ND2 ASN A 17 3.220 -15.929 -10.896 1.00 0.00 N ATOM 0 H ASN A 17 0.896 -14.832 -7.882 1.00 0.00 H new ATOM 0 HA ASN A 17 0.232 -16.900 -9.895 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.722 -16.186 -8.420 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.353 -17.899 -8.452 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.599 -15.930 -11.843 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.224 -15.070 -10.345 1.00 0.00 H new ATOM 239 N HIS A 18 -0.476 -16.791 -6.797 1.00 0.00 N ATOM 240 CA HIS A 18 -1.149 -17.478 -5.699 1.00 0.00 C ATOM 241 C HIS A 18 -2.532 -16.882 -5.448 1.00 0.00 C ATOM 242 O HIS A 18 -2.691 -15.998 -4.606 1.00 0.00 O ATOM 243 CB HIS A 18 -0.311 -17.404 -4.420 1.00 0.00 C ATOM 244 CG HIS A 18 0.926 -18.241 -4.461 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.167 -17.702 -4.199 1.00 0.00 N ATOM 246 CD2 HIS A 18 1.058 -19.563 -4.720 1.00 0.00 C ATOM 247 CE1 HIS A 18 3.017 -18.711 -4.301 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.392 -19.855 -4.616 1.00 0.00 N ATOM 0 H HIS A 18 -0.402 -15.780 -6.682 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.267 -18.524 -5.984 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.031 -16.366 -4.240 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.924 -17.720 -3.576 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.264 -20.254 -4.962 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.083 -18.624 -4.149 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.827 -20.768 -4.752 1.00 0.00 H new ATOM 256 N PRO A 19 -3.554 -17.362 -6.176 1.00 0.00 N ATOM 257 CA PRO A 19 -4.928 -16.872 -6.025 1.00 0.00 C ATOM 258 C PRO A 19 -5.545 -17.290 -4.694 1.00 0.00 C ATOM 259 O PRO A 19 -6.419 -16.605 -4.161 1.00 0.00 O ATOM 260 CB PRO A 19 -5.671 -17.530 -7.189 1.00 0.00 C ATOM 261 CG PRO A 19 -4.888 -18.760 -7.492 1.00 0.00 C ATOM 262 CD PRO A 19 -3.453 -18.419 -7.199 1.00 0.00 C ATOM 0 HA PRO A 19 -4.977 -15.783 -6.034 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.698 -17.772 -6.917 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.718 -16.868 -8.053 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.223 -19.597 -6.879 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.014 -19.056 -8.533 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.902 -19.284 -6.830 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.934 -18.067 -8.090 1.00 0.00 H new ATOM 270 N ASP A 20 -5.084 -18.417 -4.161 1.00 0.00 N ATOM 271 CA ASP A 20 -5.589 -18.926 -2.892 1.00 0.00 C ATOM 272 C ASP A 20 -5.043 -18.110 -1.724 1.00 0.00 C ATOM 273 O ASP A 20 -5.784 -17.381 -1.064 1.00 0.00 O ATOM 274 CB ASP A 20 -5.210 -20.400 -2.724 1.00 0.00 C ATOM 275 CG ASP A 20 -6.387 -21.255 -2.295 1.00 0.00 C ATOM 276 OD1 ASP A 20 -6.843 -21.101 -1.142 1.00 0.00 O ATOM 277 OD2 ASP A 20 -6.853 -22.077 -3.112 1.00 0.00 O ATOM 0 H ASP A 20 -4.361 -18.995 -4.589 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.675 -18.836 -2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.813 -20.780 -3.665 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.414 -20.485 -1.985 1.00 0.00 H new ATOM 282 N ALA A 21 -3.744 -18.238 -1.476 1.00 0.00 N ATOM 283 CA ALA A 21 -3.100 -17.511 -0.388 1.00 0.00 C ATOM 284 C ALA A 21 -2.836 -16.061 -0.780 1.00 0.00 C ATOM 285 O ALA A 21 -2.000 -15.780 -1.637 1.00 0.00 O ATOM 286 CB ALA A 21 -1.802 -18.200 0.007 1.00 0.00 C ATOM 0 H ALA A 21 -3.117 -18.837 -2.013 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.774 -17.510 0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.330 -17.648 0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.015 -19.217 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.130 -18.228 -0.850 1.00 0.00 H new ATOM 292 N ILE A 22 -3.562 -15.143 -0.149 1.00 0.00 N ATOM 293 CA ILE A 22 -3.417 -13.725 -0.431 1.00 0.00 C ATOM 294 C ILE A 22 -2.222 -13.128 0.307 1.00 0.00 C ATOM 295 O ILE A 22 -1.786 -13.650 1.333 1.00 0.00 O ATOM 296 CB ILE A 22 -4.686 -12.949 -0.038 1.00 0.00 C ATOM 297 CG1 ILE A 22 -5.138 -13.337 1.372 1.00 0.00 C ATOM 298 CG2 ILE A 22 -5.797 -13.203 -1.046 1.00 0.00 C ATOM 299 CD1 ILE A 22 -6.084 -12.336 1.999 1.00 0.00 C ATOM 0 H ILE A 22 -4.259 -15.361 0.564 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.254 -13.633 -1.505 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.455 -11.884 -0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.626 -14.311 1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.261 -13.445 2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.688 -12.647 -0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.473 -12.876 -2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.027 -14.268 -1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.363 -12.675 2.997 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.593 -11.366 2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.979 -12.246 1.383 1.00 0.00 H new ATOM 311 N LEU A 23 -1.702 -12.026 -0.224 1.00 0.00 N ATOM 312 CA LEU A 23 -0.560 -11.344 0.377 1.00 0.00 C ATOM 313 C LEU A 23 -0.986 -10.564 1.618 1.00 0.00 C ATOM 314 O LEU A 23 -1.665 -9.542 1.513 1.00 0.00 O ATOM 315 CB LEU A 23 0.072 -10.388 -0.638 1.00 0.00 C ATOM 316 CG LEU A 23 1.295 -10.935 -1.373 1.00 0.00 C ATOM 317 CD1 LEU A 23 0.873 -11.644 -2.650 1.00 0.00 C ATOM 318 CD2 LEU A 23 2.278 -9.816 -1.680 1.00 0.00 C ATOM 0 H LEU A 23 -2.055 -11.584 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 23 0.171 -12.097 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.683 -10.115 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.358 -9.472 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 23 1.792 -11.658 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.756 -12.028 -3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.208 -12.472 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.353 -10.942 -3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.142 -10.224 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.794 -9.068 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.604 -9.352 -0.749 1.00 0.00 H new ATOM 330 N VAL A 24 -0.578 -11.038 2.792 1.00 0.00 N ATOM 331 CA VAL A 24 -0.916 -10.363 4.041 1.00 0.00 C ATOM 332 C VAL A 24 -0.426 -8.921 4.011 1.00 0.00 C ATOM 333 O VAL A 24 0.478 -8.585 3.246 1.00 0.00 O ATOM 334 CB VAL A 24 -0.308 -11.077 5.264 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.942 -10.565 6.548 1.00 0.00 C ATOM 336 CG2 VAL A 24 -0.471 -12.588 5.144 1.00 0.00 C ATOM 0 H VAL A 24 -0.016 -11.882 2.904 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.002 -10.387 4.135 1.00 0.00 H new ATOM 0 HB VAL A 24 0.759 -10.855 5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.501 -11.080 7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.765 -9.493 6.639 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.015 -10.754 6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.035 -13.072 6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.531 -12.836 5.083 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.036 -12.938 4.245 1.00 0.00 H new ATOM 346 N GLU A 25 -1.029 -8.071 4.834 1.00 0.00 N ATOM 347 CA GLU A 25 -0.652 -6.662 4.881 1.00 0.00 C ATOM 348 C GLU A 25 0.227 -6.354 6.090 1.00 0.00 C ATOM 349 O GLU A 25 -0.255 -6.288 7.220 1.00 0.00 O ATOM 350 CB GLU A 25 -1.902 -5.783 4.913 1.00 0.00 C ATOM 351 CG GLU A 25 -1.645 -4.345 4.493 1.00 0.00 C ATOM 352 CD GLU A 25 -2.917 -3.614 4.110 1.00 0.00 C ATOM 353 OE1 GLU A 25 -3.681 -4.146 3.277 1.00 0.00 O ATOM 354 OE2 GLU A 25 -3.150 -2.508 4.643 1.00 0.00 O ATOM 0 H GLU A 25 -1.778 -8.331 5.476 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.076 -6.445 3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.657 -6.215 4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.315 -5.790 5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.157 -3.813 5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.956 -4.334 3.649 1.00 0.00 H new ATOM 361 N ASP A 26 1.518 -6.155 5.840 1.00 0.00 N ATOM 362 CA ASP A 26 2.465 -5.837 6.902 1.00 0.00 C ATOM 363 C ASP A 26 2.547 -6.958 7.932 1.00 0.00 C ATOM 364 O ASP A 26 1.806 -6.968 8.915 1.00 0.00 O ATOM 365 CB ASP A 26 2.068 -4.529 7.590 1.00 0.00 C ATOM 366 CG ASP A 26 2.623 -3.312 6.878 1.00 0.00 C ATOM 367 OD1 ASP A 26 3.829 -3.026 7.041 1.00 0.00 O ATOM 368 OD2 ASP A 26 1.853 -2.643 6.157 1.00 0.00 O ATOM 0 H ASP A 26 1.932 -6.209 4.909 1.00 0.00 H new ATOM 0 HA ASP A 26 3.448 -5.724 6.446 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.981 -4.458 7.631 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.426 -4.539 8.619 1.00 0.00 H new ATOM 373 N TYR A 27 3.463 -7.892 7.709 1.00 0.00 N ATOM 374 CA TYR A 27 3.657 -9.007 8.627 1.00 0.00 C ATOM 375 C TYR A 27 4.867 -8.747 9.518 1.00 0.00 C ATOM 376 O TYR A 27 5.792 -9.557 9.586 1.00 0.00 O ATOM 377 CB TYR A 27 3.840 -10.313 7.853 1.00 0.00 C ATOM 378 CG TYR A 27 3.307 -11.527 8.581 1.00 0.00 C ATOM 379 CD1 TYR A 27 3.997 -12.075 9.655 1.00 0.00 C ATOM 380 CD2 TYR A 27 2.113 -12.122 8.196 1.00 0.00 C ATOM 381 CE1 TYR A 27 3.512 -13.183 10.324 1.00 0.00 C ATOM 382 CE2 TYR A 27 1.621 -13.230 8.860 1.00 0.00 C ATOM 383 CZ TYR A 27 2.325 -13.757 9.922 1.00 0.00 C ATOM 384 OH TYR A 27 1.839 -14.860 10.587 1.00 0.00 O ATOM 0 H TYR A 27 4.084 -7.899 6.900 1.00 0.00 H new ATOM 0 HA TYR A 27 2.770 -9.100 9.254 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.338 -10.228 6.889 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.901 -10.459 7.648 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.928 -11.628 9.972 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.560 -11.712 7.364 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.060 -13.597 11.157 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.690 -13.681 8.549 1.00 0.00 H new ATOM 0 HH TYR A 27 0.993 -15.141 10.180 1.00 0.00 H new ATOM 394 N ARG A 28 4.854 -7.599 10.190 1.00 0.00 N ATOM 395 CA ARG A 28 5.947 -7.206 11.071 1.00 0.00 C ATOM 396 C ARG A 28 7.214 -6.931 10.272 1.00 0.00 C ATOM 397 O ARG A 28 7.829 -7.847 9.726 1.00 0.00 O ATOM 398 CB ARG A 28 6.222 -8.286 12.118 1.00 0.00 C ATOM 399 CG ARG A 28 5.654 -7.962 13.491 1.00 0.00 C ATOM 400 CD ARG A 28 6.756 -7.818 14.528 1.00 0.00 C ATOM 401 NE ARG A 28 6.441 -6.799 15.527 1.00 0.00 N ATOM 402 CZ ARG A 28 7.272 -6.432 16.500 1.00 0.00 C ATOM 403 NH1 ARG A 28 8.469 -6.998 16.608 1.00 0.00 N ATOM 404 NH2 ARG A 28 6.908 -5.496 17.364 1.00 0.00 N ATOM 0 H ARG A 28 4.093 -6.922 10.140 1.00 0.00 H new ATOM 0 HA ARG A 28 5.646 -6.291 11.582 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.800 -9.230 11.773 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.299 -8.431 12.204 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.078 -7.038 13.439 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.966 -8.750 13.797 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.913 -8.775 15.025 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.691 -7.560 14.030 1.00 0.00 H new ATOM 0 HE ARG A 28 5.531 -6.342 15.476 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.755 -7.717 15.944 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.102 -6.713 17.355 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.991 -5.057 17.284 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.545 -5.215 18.110 1.00 0.00 H new ATOM 418 N ALA A 29 7.596 -5.660 10.219 1.00 0.00 N ATOM 419 CA ALA A 29 8.793 -5.229 9.497 1.00 0.00 C ATOM 420 C ALA A 29 8.986 -6.004 8.195 1.00 0.00 C ATOM 421 O ALA A 29 10.116 -6.273 7.786 1.00 0.00 O ATOM 422 CB ALA A 29 10.020 -5.377 10.383 1.00 0.00 C ATOM 0 H ALA A 29 7.089 -4.900 10.672 1.00 0.00 H new ATOM 0 HA ALA A 29 8.659 -4.179 9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.905 -5.053 9.836 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.901 -4.763 11.275 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.135 -6.421 10.674 1.00 0.00 H new ATOM 428 N GLY A 30 7.881 -6.367 7.550 1.00 0.00 N ATOM 429 CA GLY A 30 7.968 -7.115 6.308 1.00 0.00 C ATOM 430 C GLY A 30 6.973 -6.658 5.254 1.00 0.00 C ATOM 431 O GLY A 30 6.845 -7.291 4.207 1.00 0.00 O ATOM 0 H GLY A 30 6.933 -6.158 7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.978 -7.023 5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.804 -8.172 6.517 1.00 0.00 H new ATOM 435 N ASP A 31 6.266 -5.560 5.520 1.00 0.00 N ATOM 436 CA ASP A 31 5.286 -5.042 4.566 1.00 0.00 C ATOM 437 C ASP A 31 4.312 -6.143 4.141 1.00 0.00 C ATOM 438 O ASP A 31 4.099 -7.107 4.875 1.00 0.00 O ATOM 439 CB ASP A 31 6.002 -4.459 3.343 1.00 0.00 C ATOM 440 CG ASP A 31 7.187 -3.592 3.722 1.00 0.00 C ATOM 441 OD1 ASP A 31 8.224 -4.152 4.138 1.00 0.00 O ATOM 442 OD2 ASP A 31 7.080 -2.353 3.604 1.00 0.00 O ATOM 0 H ASP A 31 6.352 -5.017 6.379 1.00 0.00 H new ATOM 0 HA ASP A 31 4.714 -4.250 5.050 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.342 -5.273 2.703 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.296 -3.868 2.760 1.00 0.00 H new ATOM 447 N MET A 32 3.727 -6.004 2.954 1.00 0.00 N ATOM 448 CA MET A 32 2.790 -7.003 2.454 1.00 0.00 C ATOM 449 C MET A 32 3.547 -8.197 1.884 1.00 0.00 C ATOM 450 O MET A 32 4.309 -8.056 0.932 1.00 0.00 O ATOM 451 CB MET A 32 1.882 -6.397 1.382 1.00 0.00 C ATOM 452 CG MET A 32 1.308 -5.044 1.767 1.00 0.00 C ATOM 453 SD MET A 32 0.561 -4.183 0.370 1.00 0.00 S ATOM 454 CE MET A 32 -0.198 -2.789 1.198 1.00 0.00 C ATOM 0 H MET A 32 3.884 -5.216 2.326 1.00 0.00 H new ATOM 0 HA MET A 32 2.170 -7.341 3.285 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.447 -6.293 0.456 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.062 -7.086 1.180 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.559 -5.180 2.547 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.099 -4.425 2.189 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.402 -2.002 0.472 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.132 -3.106 1.662 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.477 -2.409 1.965 1.00 0.00 H new ATOM 464 N ILE A 33 3.354 -9.370 2.478 1.00 0.00 N ATOM 465 CA ILE A 33 4.042 -10.565 2.029 1.00 0.00 C ATOM 466 C ILE A 33 3.066 -11.680 1.669 1.00 0.00 C ATOM 467 O ILE A 33 1.908 -11.656 2.076 1.00 0.00 O ATOM 468 CB ILE A 33 5.000 -11.082 3.112 1.00 0.00 C ATOM 469 CG1 ILE A 33 4.335 -11.028 4.489 1.00 0.00 C ATOM 470 CG2 ILE A 33 6.296 -10.285 3.108 1.00 0.00 C ATOM 471 CD1 ILE A 33 3.180 -11.994 4.634 1.00 0.00 C ATOM 0 H ILE A 33 2.727 -9.514 3.270 1.00 0.00 H new ATOM 0 HA ILE A 33 4.604 -10.286 1.137 1.00 0.00 H new ATOM 0 HB ILE A 33 5.240 -12.122 2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.080 -11.246 5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.977 -10.015 4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.961 -10.667 3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.779 -10.381 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.078 -9.235 3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.754 -11.904 5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.416 -11.762 3.892 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.536 -13.013 4.482 1.00 0.00 H new ATOM 483 N CYS A 34 3.547 -12.662 0.912 1.00 0.00 N ATOM 484 CA CYS A 34 2.715 -13.791 0.510 1.00 0.00 C ATOM 485 C CYS A 34 3.092 -15.040 1.303 1.00 0.00 C ATOM 486 O CYS A 34 4.264 -15.407 1.368 1.00 0.00 O ATOM 487 CB CYS A 34 2.879 -14.051 -0.985 1.00 0.00 C ATOM 488 SG CYS A 34 1.758 -15.295 -1.669 1.00 0.00 S ATOM 0 H CYS A 34 4.506 -12.699 0.566 1.00 0.00 H new ATOM 0 HA CYS A 34 1.673 -13.549 0.718 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.729 -13.114 -1.521 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.906 -14.365 -1.174 1.00 0.00 H new ATOM 493 N PRO A 35 2.109 -15.715 1.923 1.00 0.00 N ATOM 494 CA PRO A 35 2.369 -16.923 2.712 1.00 0.00 C ATOM 495 C PRO A 35 2.785 -18.114 1.851 1.00 0.00 C ATOM 496 O PRO A 35 3.162 -19.163 2.372 1.00 0.00 O ATOM 497 CB PRO A 35 1.027 -17.199 3.393 1.00 0.00 C ATOM 498 CG PRO A 35 0.013 -16.569 2.502 1.00 0.00 C ATOM 499 CD PRO A 35 0.679 -15.358 1.910 1.00 0.00 C ATOM 0 HA PRO A 35 3.196 -16.779 3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.850 -18.269 3.500 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.996 -16.769 4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.305 -17.261 1.722 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.879 -16.289 3.062 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.324 -15.158 0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.483 -14.463 2.500 1.00 0.00 H new ATOM 507 N GLU A 36 2.714 -17.950 0.532 1.00 0.00 N ATOM 508 CA GLU A 36 3.085 -19.019 -0.387 1.00 0.00 C ATOM 509 C GLU A 36 4.482 -18.794 -0.964 1.00 0.00 C ATOM 510 O GLU A 36 5.450 -19.404 -0.510 1.00 0.00 O ATOM 511 CB GLU A 36 2.057 -19.128 -1.514 1.00 0.00 C ATOM 512 CG GLU A 36 0.678 -19.556 -1.040 1.00 0.00 C ATOM 513 CD GLU A 36 0.428 -21.038 -1.240 1.00 0.00 C ATOM 514 OE1 GLU A 36 0.931 -21.596 -2.237 1.00 0.00 O ATOM 515 OE2 GLU A 36 -0.271 -21.641 -0.397 1.00 0.00 O ATOM 0 H GLU A 36 2.404 -17.090 0.079 1.00 0.00 H new ATOM 0 HA GLU A 36 3.099 -19.954 0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.977 -18.164 -2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.416 -19.843 -2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.569 -19.312 0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.080 -18.987 -1.578 1.00 0.00 H new ATOM 522 N CYS A 37 4.591 -17.920 -1.966 1.00 0.00 N ATOM 523 CA CYS A 37 5.886 -17.638 -2.583 1.00 0.00 C ATOM 524 C CYS A 37 6.805 -16.902 -1.614 1.00 0.00 C ATOM 525 O CYS A 37 8.028 -16.946 -1.753 1.00 0.00 O ATOM 526 CB CYS A 37 5.733 -16.812 -3.867 1.00 0.00 C ATOM 527 SG CYS A 37 4.788 -15.286 -3.683 1.00 0.00 S ATOM 0 H CYS A 37 3.808 -17.401 -2.363 1.00 0.00 H new ATOM 0 HA CYS A 37 6.331 -18.600 -2.839 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.726 -16.564 -4.242 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.252 -17.431 -4.624 1.00 0.00 H new ATOM 532 N GLY A 38 6.214 -16.221 -0.639 1.00 0.00 N ATOM 533 CA GLY A 38 7.006 -15.483 0.324 1.00 0.00 C ATOM 534 C GLY A 38 7.628 -14.244 -0.281 1.00 0.00 C ATOM 535 O GLY A 38 8.844 -14.058 -0.220 1.00 0.00 O ATOM 0 H GLY A 38 5.205 -16.167 -0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.377 -15.198 1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.792 -16.128 0.717 1.00 0.00 H new ATOM 539 N LEU A 39 6.794 -13.391 -0.870 1.00 0.00 N ATOM 540 CA LEU A 39 7.279 -12.163 -1.487 1.00 0.00 C ATOM 541 C LEU A 39 7.015 -10.971 -0.577 1.00 0.00 C ATOM 542 O LEU A 39 6.401 -11.118 0.480 1.00 0.00 O ATOM 543 CB LEU A 39 6.626 -11.955 -2.858 1.00 0.00 C ATOM 544 CG LEU A 39 5.233 -11.320 -2.835 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.305 -9.866 -3.271 1.00 0.00 C ATOM 546 CD2 LEU A 39 4.274 -12.098 -3.725 1.00 0.00 C ATOM 0 H LEU A 39 5.785 -13.528 -0.932 1.00 0.00 H new ATOM 0 HA LEU A 39 8.356 -12.251 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.282 -11.328 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.558 -12.921 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 39 4.856 -11.356 -1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.306 -9.430 -3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.957 -9.315 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.704 -9.809 -4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.290 -11.631 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.646 -12.096 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.199 -13.125 -3.369 1.00 0.00 H new ATOM 558 N VAL A 40 7.488 -9.796 -0.983 1.00 0.00 N ATOM 559 CA VAL A 40 7.308 -8.588 -0.188 1.00 0.00 C ATOM 560 C VAL A 40 7.027 -7.368 -1.062 1.00 0.00 C ATOM 561 O VAL A 40 7.915 -6.871 -1.755 1.00 0.00 O ATOM 562 CB VAL A 40 8.547 -8.299 0.680 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.254 -7.188 1.676 1.00 0.00 C ATOM 564 CG2 VAL A 40 9.010 -9.559 1.396 1.00 0.00 C ATOM 0 H VAL A 40 7.997 -9.656 -1.856 1.00 0.00 H new ATOM 0 HA VAL A 40 6.446 -8.771 0.454 1.00 0.00 H new ATOM 0 HB VAL A 40 9.353 -7.967 0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.141 -6.998 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.980 -6.280 1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.431 -7.488 2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.886 -9.331 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.210 -9.928 2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.266 -10.322 0.661 1.00 0.00 H new ATOM 574 N VAL A 41 5.791 -6.884 -1.008 1.00 0.00 N ATOM 575 CA VAL A 41 5.388 -5.714 -1.776 1.00 0.00 C ATOM 576 C VAL A 41 5.321 -4.481 -0.882 1.00 0.00 C ATOM 577 O VAL A 41 4.788 -4.535 0.230 1.00 0.00 O ATOM 578 CB VAL A 41 4.016 -5.917 -2.447 1.00 0.00 C ATOM 579 CG1 VAL A 41 3.678 -4.738 -3.347 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.993 -7.217 -3.235 1.00 0.00 C ATOM 0 H VAL A 41 5.048 -7.287 -0.437 1.00 0.00 H new ATOM 0 HA VAL A 41 6.140 -5.570 -2.552 1.00 0.00 H new ATOM 0 HB VAL A 41 3.259 -5.977 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.705 -4.902 -3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.648 -3.824 -2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.438 -4.642 -4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.016 -7.343 -3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.762 -7.188 -4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.184 -8.053 -2.563 1.00 0.00 H new ATOM 590 N GLY A 42 5.866 -3.373 -1.371 1.00 0.00 N ATOM 591 CA GLY A 42 5.860 -2.141 -0.603 1.00 0.00 C ATOM 592 C GLY A 42 7.087 -1.997 0.275 1.00 0.00 C ATOM 593 O GLY A 42 7.046 -1.319 1.302 1.00 0.00 O ATOM 0 H GLY A 42 6.312 -3.305 -2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.804 -1.292 -1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.966 -2.110 0.020 1.00 0.00 H new ATOM 597 N ASP A 43 8.182 -2.635 -0.127 1.00 0.00 N ATOM 598 CA ASP A 43 9.425 -2.573 0.632 1.00 0.00 C ATOM 599 C ASP A 43 10.317 -1.446 0.123 1.00 0.00 C ATOM 600 O ASP A 43 11.023 -0.801 0.898 1.00 0.00 O ATOM 601 CB ASP A 43 10.169 -3.907 0.545 1.00 0.00 C ATOM 602 CG ASP A 43 10.319 -4.394 -0.883 1.00 0.00 C ATOM 603 OD1 ASP A 43 9.286 -4.678 -1.525 1.00 0.00 O ATOM 604 OD2 ASP A 43 11.469 -4.490 -1.359 1.00 0.00 O ATOM 0 H ASP A 43 8.233 -3.201 -0.974 1.00 0.00 H new ATOM 0 HA ASP A 43 9.175 -2.373 1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.156 -3.799 0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.634 -4.657 1.127 1.00 0.00 H new ATOM 609 N ARG A 44 10.279 -1.214 -1.185 1.00 0.00 N ATOM 610 CA ARG A 44 11.084 -0.164 -1.800 1.00 0.00 C ATOM 611 C ARG A 44 10.194 0.930 -2.385 1.00 0.00 C ATOM 612 O ARG A 44 10.257 1.225 -3.580 1.00 0.00 O ATOM 613 CB ARG A 44 11.980 -0.752 -2.892 1.00 0.00 C ATOM 614 CG ARG A 44 13.048 -1.694 -2.361 1.00 0.00 C ATOM 615 CD ARG A 44 14.327 -0.947 -2.010 1.00 0.00 C ATOM 616 NE ARG A 44 14.752 -1.209 -0.637 1.00 0.00 N ATOM 617 CZ ARG A 44 15.738 -0.551 -0.029 1.00 0.00 C ATOM 618 NH1 ARG A 44 16.400 0.405 -0.666 1.00 0.00 N ATOM 619 NH2 ARG A 44 16.061 -0.852 1.222 1.00 0.00 N ATOM 0 H ARG A 44 9.699 -1.739 -1.840 1.00 0.00 H new ATOM 0 HA ARG A 44 11.712 0.279 -1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.359 -1.288 -3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.462 0.063 -3.433 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.673 -2.210 -1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.265 -2.458 -3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.120 -1.241 -2.698 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.170 0.123 -2.144 1.00 0.00 H new ATOM 0 HE ARG A 44 14.266 -1.937 -0.114 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.155 0.641 -1.628 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.154 0.905 -0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 44 15.555 -1.586 1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 44 16.816 -0.349 1.689 1.00 0.00 H new ATOM 633 N VAL A 45 9.365 1.527 -1.536 1.00 0.00 N ATOM 634 CA VAL A 45 8.463 2.588 -1.967 1.00 0.00 C ATOM 635 C VAL A 45 9.239 3.818 -2.426 1.00 0.00 C ATOM 636 O VAL A 45 10.326 4.101 -1.925 1.00 0.00 O ATOM 637 CB VAL A 45 7.497 2.996 -0.840 1.00 0.00 C ATOM 638 CG1 VAL A 45 6.429 3.943 -1.368 1.00 0.00 C ATOM 639 CG2 VAL A 45 6.862 1.767 -0.208 1.00 0.00 C ATOM 0 H VAL A 45 9.299 1.294 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 45 7.887 2.192 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 45 8.067 3.518 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.756 4.220 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.903 4.839 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.862 3.449 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.183 2.076 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.307 1.214 -0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.641 1.129 0.209 1.00 0.00 H new ATOM 649 N ILE A 46 8.672 4.546 -3.383 1.00 0.00 N ATOM 650 CA ILE A 46 9.310 5.745 -3.910 1.00 0.00 C ATOM 651 C ILE A 46 8.693 7.004 -3.308 1.00 0.00 C ATOM 652 O ILE A 46 8.594 8.037 -3.970 1.00 0.00 O ATOM 653 CB ILE A 46 9.199 5.815 -5.446 1.00 0.00 C ATOM 654 CG1 ILE A 46 9.587 4.473 -6.069 1.00 0.00 C ATOM 655 CG2 ILE A 46 10.078 6.931 -5.990 1.00 0.00 C ATOM 656 CD1 ILE A 46 8.462 3.461 -6.073 1.00 0.00 C ATOM 0 H ILE A 46 7.772 4.326 -3.809 1.00 0.00 H new ATOM 0 HA ILE A 46 10.363 5.690 -3.634 1.00 0.00 H new ATOM 0 HB ILE A 46 8.164 6.032 -5.711 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.919 4.640 -7.094 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.435 4.060 -5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.989 6.968 -7.076 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.760 7.884 -5.567 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.116 6.742 -5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.808 2.534 -6.529 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.145 3.265 -5.049 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.621 3.854 -6.644 1.00 0.00 H new ATOM 668 N ASP A 47 8.280 6.909 -2.048 1.00 0.00 N ATOM 669 CA ASP A 47 7.672 8.040 -1.357 1.00 0.00 C ATOM 670 C ASP A 47 8.626 8.617 -0.316 1.00 0.00 C ATOM 671 O ASP A 47 9.675 8.039 -0.033 1.00 0.00 O ATOM 672 CB ASP A 47 6.366 7.613 -0.686 1.00 0.00 C ATOM 673 CG ASP A 47 5.348 8.735 -0.636 1.00 0.00 C ATOM 674 OD1 ASP A 47 5.762 9.909 -0.534 1.00 0.00 O ATOM 675 OD2 ASP A 47 4.136 8.441 -0.697 1.00 0.00 O ATOM 0 H ASP A 47 8.355 6.061 -1.486 1.00 0.00 H new ATOM 0 HA ASP A 47 7.457 8.812 -2.096 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.943 6.766 -1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.576 7.271 0.328 1.00 0.00 H new ATOM 680 N VAL A 48 8.254 9.760 0.251 1.00 0.00 N ATOM 681 CA VAL A 48 9.077 10.416 1.261 1.00 0.00 C ATOM 682 C VAL A 48 8.272 10.702 2.524 1.00 0.00 C ATOM 683 O VAL A 48 7.085 11.023 2.456 1.00 0.00 O ATOM 684 CB VAL A 48 9.668 11.736 0.733 1.00 0.00 C ATOM 685 CG1 VAL A 48 10.677 12.301 1.721 1.00 0.00 C ATOM 686 CG2 VAL A 48 10.306 11.529 -0.632 1.00 0.00 C ATOM 0 H VAL A 48 7.388 10.251 0.028 1.00 0.00 H new ATOM 0 HA VAL A 48 9.891 9.732 1.499 1.00 0.00 H new ATOM 0 HB VAL A 48 8.858 12.457 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.085 13.234 1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.185 12.490 2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.485 11.584 1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.718 12.473 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.105 10.792 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.553 11.173 -1.335 1.00 0.00 H new ATOM 696 N GLY A 49 8.925 10.582 3.675 1.00 0.00 N ATOM 697 CA GLY A 49 8.256 10.830 4.938 1.00 0.00 C ATOM 698 C GLY A 49 9.224 10.912 6.101 1.00 0.00 C ATOM 699 O GLY A 49 10.090 11.785 6.136 1.00 0.00 O ATOM 0 H GLY A 49 9.907 10.317 3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.694 11.761 4.871 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.534 10.035 5.125 1.00 0.00 H new ATOM 703 N SER A 50 9.075 10.000 7.057 1.00 0.00 N ATOM 704 CA SER A 50 9.943 9.973 8.228 1.00 0.00 C ATOM 705 C SER A 50 10.261 8.538 8.637 1.00 0.00 C ATOM 706 O SER A 50 9.710 7.588 8.082 1.00 0.00 O ATOM 707 CB SER A 50 9.286 10.714 9.393 1.00 0.00 C ATOM 708 OG SER A 50 7.874 10.628 9.322 1.00 0.00 O ATOM 0 H SER A 50 8.362 9.271 7.043 1.00 0.00 H new ATOM 0 HA SER A 50 10.876 10.473 7.969 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.632 10.293 10.337 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.591 11.760 9.380 1.00 0.00 H new ATOM 0 HG SER A 50 7.477 11.429 9.724 1.00 0.00 H new ATOM 714 N GLU A 51 11.152 8.390 9.612 1.00 0.00 N ATOM 715 CA GLU A 51 11.542 7.071 10.096 1.00 0.00 C ATOM 716 C GLU A 51 10.777 6.710 11.365 1.00 0.00 C ATOM 717 O GLU A 51 10.463 5.544 11.601 1.00 0.00 O ATOM 718 CB GLU A 51 13.049 7.027 10.361 1.00 0.00 C ATOM 719 CG GLU A 51 13.847 6.395 9.231 1.00 0.00 C ATOM 720 CD GLU A 51 15.309 6.204 9.587 1.00 0.00 C ATOM 721 OE1 GLU A 51 15.589 5.630 10.660 1.00 0.00 O ATOM 722 OE2 GLU A 51 16.173 6.628 8.792 1.00 0.00 O ATOM 0 H GLU A 51 11.617 9.167 10.082 1.00 0.00 H new ATOM 0 HA GLU A 51 11.296 6.340 9.326 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.410 8.042 10.526 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.232 6.470 11.280 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.409 5.430 8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.772 7.022 8.343 1.00 0.00 H new ATOM 729 N TRP A 52 10.481 7.718 12.178 1.00 0.00 N ATOM 730 CA TRP A 52 9.752 7.506 13.423 1.00 0.00 C ATOM 731 C TRP A 52 8.250 7.435 13.169 1.00 0.00 C ATOM 732 O TRP A 52 7.578 6.506 13.617 1.00 0.00 O ATOM 733 CB TRP A 52 10.060 8.628 14.417 1.00 0.00 C ATOM 734 CG TRP A 52 11.509 8.706 14.794 1.00 0.00 C ATOM 735 CD1 TRP A 52 12.310 9.811 14.747 1.00 0.00 C ATOM 736 CD2 TRP A 52 12.330 7.635 15.273 1.00 0.00 C ATOM 737 NE1 TRP A 52 13.578 9.493 15.168 1.00 0.00 N ATOM 738 CE2 TRP A 52 13.616 8.163 15.497 1.00 0.00 C ATOM 739 CE3 TRP A 52 12.103 6.281 15.536 1.00 0.00 C ATOM 740 CZ2 TRP A 52 14.668 7.384 15.971 1.00 0.00 C ATOM 741 CZ3 TRP A 52 13.148 5.509 16.007 1.00 0.00 C ATOM 742 CH2 TRP A 52 14.416 6.062 16.220 1.00 0.00 C ATOM 0 H TRP A 52 10.734 8.689 11.997 1.00 0.00 H new ATOM 0 HA TRP A 52 10.076 6.555 13.847 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.752 9.581 13.986 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.465 8.479 15.318 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.993 10.792 14.426 1.00 0.00 H new ATOM 0 HE1 TRP A 52 14.364 10.141 15.226 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.128 5.846 15.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 15.648 7.808 16.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.984 4.462 16.214 1.00 0.00 H new ATOM 0 HH2 TRP A 52 15.212 5.432 16.589 1.00 0.00 H new ATOM 753 N ARG A 53 7.730 8.422 12.447 1.00 0.00 N ATOM 754 CA ARG A 53 6.307 8.471 12.132 1.00 0.00 C ATOM 755 C ARG A 53 5.970 7.513 10.993 1.00 0.00 C ATOM 756 O ARG A 53 5.753 7.935 9.857 1.00 0.00 O ATOM 757 CB ARG A 53 5.893 9.896 11.756 1.00 0.00 C ATOM 758 CG ARG A 53 6.470 10.960 12.675 1.00 0.00 C ATOM 759 CD ARG A 53 5.590 12.198 12.717 1.00 0.00 C ATOM 760 NE ARG A 53 5.267 12.687 11.378 1.00 0.00 N ATOM 761 CZ ARG A 53 4.827 13.916 11.124 1.00 0.00 C ATOM 762 NH1 ARG A 53 4.657 14.786 12.112 1.00 0.00 N ATOM 763 NH2 ARG A 53 4.556 14.280 9.878 1.00 0.00 N ATOM 0 H ARG A 53 8.273 9.199 12.069 1.00 0.00 H new ATOM 0 HA ARG A 53 5.753 8.163 13.019 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.211 10.100 10.733 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.805 9.965 11.772 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.577 10.554 13.681 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.469 11.234 12.334 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.668 11.969 13.251 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.097 12.984 13.277 1.00 0.00 H new ATOM 0 HE ARG A 53 5.386 12.048 10.592 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.864 14.513 13.073 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.319 15.727 11.910 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.685 13.617 9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.219 15.223 9.684 1.00 0.00 H new ATOM 777 N THR A 54 5.929 6.222 11.305 1.00 0.00 N ATOM 778 CA THR A 54 5.621 5.204 10.306 1.00 0.00 C ATOM 779 C THR A 54 4.872 4.034 10.933 1.00 0.00 C ATOM 780 O THR A 54 3.867 3.567 10.397 1.00 0.00 O ATOM 781 CB THR A 54 6.906 4.705 9.642 1.00 0.00 C ATOM 782 OG1 THR A 54 7.759 4.098 10.595 1.00 0.00 O ATOM 783 CG2 THR A 54 7.690 5.802 8.956 1.00 0.00 C ATOM 0 H THR A 54 6.105 5.856 12.241 1.00 0.00 H new ATOM 0 HA THR A 54 4.981 5.657 9.549 1.00 0.00 H new ATOM 0 HB THR A 54 6.582 3.987 8.888 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.524 4.685 10.771 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.589 5.380 8.506 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.075 6.258 8.180 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.972 6.560 9.687 1.00 0.00 H new ATOM 791 N PHE A 55 5.370 3.567 12.070 1.00 0.00 N ATOM 792 CA PHE A 55 4.752 2.450 12.776 1.00 0.00 C ATOM 793 C PHE A 55 4.821 2.655 14.285 1.00 0.00 C ATOM 794 O PHE A 55 5.523 3.542 14.770 1.00 0.00 O ATOM 795 CB PHE A 55 5.439 1.137 12.395 1.00 0.00 C ATOM 796 CG PHE A 55 4.515 -0.047 12.393 1.00 0.00 C ATOM 797 CD1 PHE A 55 3.307 0.002 11.715 1.00 0.00 C ATOM 798 CD2 PHE A 55 4.853 -1.208 13.070 1.00 0.00 C ATOM 799 CE1 PHE A 55 2.454 -1.085 11.711 1.00 0.00 C ATOM 800 CE2 PHE A 55 4.004 -2.298 13.069 1.00 0.00 C ATOM 801 CZ PHE A 55 2.803 -2.237 12.390 1.00 0.00 C ATOM 0 H PHE A 55 6.201 3.944 12.525 1.00 0.00 H new ATOM 0 HA PHE A 55 3.703 2.402 12.482 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.883 1.243 11.405 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.256 0.949 13.092 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.029 0.900 11.184 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.790 -1.261 13.604 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.516 -1.034 11.178 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.280 -3.198 13.599 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.138 -3.088 12.390 1.00 0.00 H new ATOM 811 N SER A 56 4.088 1.827 15.024 1.00 0.00 N ATOM 812 CA SER A 56 4.066 1.917 16.479 1.00 0.00 C ATOM 813 C SER A 56 4.451 0.583 17.112 1.00 0.00 C ATOM 814 O SER A 56 3.612 -0.305 17.271 1.00 0.00 O ATOM 815 CB SER A 56 2.679 2.348 16.963 1.00 0.00 C ATOM 816 OG SER A 56 2.725 3.626 17.572 1.00 0.00 O ATOM 0 H SER A 56 3.502 1.087 14.638 1.00 0.00 H new ATOM 0 HA SER A 56 4.797 2.666 16.785 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.987 2.368 16.121 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.295 1.617 17.674 1.00 0.00 H new ATOM 0 HG SER A 56 1.826 3.879 17.871 1.00 0.00 H new ATOM 822 N ASN A 57 5.723 0.449 17.470 1.00 0.00 N ATOM 823 CA ASN A 57 6.220 -0.777 18.085 1.00 0.00 C ATOM 824 C ASN A 57 6.305 -0.632 19.603 1.00 0.00 C ATOM 825 O ASN A 57 6.201 -1.615 20.335 1.00 0.00 O ATOM 826 CB ASN A 57 7.594 -1.137 17.519 1.00 0.00 C ATOM 827 CG ASN A 57 7.504 -1.766 16.142 1.00 0.00 C ATOM 828 OD1 ASN A 57 8.143 -1.310 15.195 1.00 0.00 O ATOM 829 ND2 ASN A 57 6.708 -2.824 16.026 1.00 0.00 N ATOM 0 H ASN A 57 6.429 1.174 17.345 1.00 0.00 H new ATOM 0 HA ASN A 57 5.518 -1.578 17.854 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.209 -0.239 17.466 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.095 -1.826 18.199 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.609 -3.291 15.125 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.196 -3.169 16.838 1.00 0.00 H new ATOM 836 N ASP A 58 6.493 0.601 20.067 1.00 0.00 N ATOM 837 CA ASP A 58 6.593 0.875 21.497 1.00 0.00 C ATOM 838 C ASP A 58 7.855 0.249 22.084 1.00 0.00 C ATOM 839 O ASP A 58 8.834 0.944 22.357 1.00 0.00 O ATOM 840 CB ASP A 58 5.354 0.349 22.229 1.00 0.00 C ATOM 841 CG ASP A 58 4.587 1.451 22.932 1.00 0.00 C ATOM 842 OD1 ASP A 58 4.249 2.455 22.269 1.00 0.00 O ATOM 843 OD2 ASP A 58 4.322 1.312 24.144 1.00 0.00 O ATOM 0 H ASP A 58 6.579 1.426 19.473 1.00 0.00 H new ATOM 0 HA ASP A 58 6.651 1.955 21.632 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.697 -0.148 21.515 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.658 -0.401 22.959 1.00 0.00 H new ATOM 848 N LYS A 59 7.825 -1.066 22.275 1.00 0.00 N ATOM 849 CA LYS A 59 8.967 -1.783 22.830 1.00 0.00 C ATOM 850 C LYS A 59 9.341 -2.972 21.949 1.00 0.00 C ATOM 851 O LYS A 59 8.478 -3.599 21.335 1.00 0.00 O ATOM 852 CB LYS A 59 8.654 -2.259 24.251 1.00 0.00 C ATOM 853 CG LYS A 59 9.537 -1.622 25.313 1.00 0.00 C ATOM 854 CD LYS A 59 8.733 -0.734 26.251 1.00 0.00 C ATOM 855 CE LYS A 59 9.629 -0.030 27.258 1.00 0.00 C ATOM 856 NZ LYS A 59 9.857 1.396 26.898 1.00 0.00 N ATOM 857 OXT LYS A 59 10.712 -3.363 21.836 1.00 0.00 O ATOM 0 H LYS A 59 7.023 -1.656 22.054 1.00 0.00 H new ATOM 0 HA LYS A 59 9.815 -1.100 22.864 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.611 -2.039 24.478 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.769 -3.342 24.296 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.036 -2.402 25.888 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.317 -1.032 24.832 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.184 0.007 25.670 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.994 -1.336 26.779 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.176 -0.086 28.248 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.587 -0.547 27.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.472 1.840 27.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.312 1.450 25.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.946 1.896 26.868 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.537 -15.765 -3.773 1.00 0.00 ZN