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 -32:sc= 0.194 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 47:sc= 0.976 USER MOD Single : A 14 THR OG1 : rot 120:sc= -0.063 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= -0.0116 (180deg=-0.0116) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0498 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.59 X(o=-1.6,f=-2) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -22.395 -3.213 -25.259 1.00 0.00 N ATOM 2 CA ALA A 2 -23.633 -3.851 -25.779 1.00 0.00 C ATOM 3 C ALA A 2 -24.105 -4.963 -24.850 1.00 0.00 C ATOM 4 O ALA A 2 -24.621 -5.986 -25.302 1.00 0.00 O ATOM 5 CB ALA A 2 -23.396 -4.398 -27.178 1.00 0.00 C ATOM 0 HA ALA A 2 -24.414 -3.092 -25.824 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -24.311 -4.862 -27.547 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -23.109 -3.584 -27.843 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -22.599 -5.140 -27.148 1.00 0.00 H new ATOM 13 N SER A 3 -23.926 -4.757 -23.549 1.00 0.00 N ATOM 14 CA SER A 3 -24.333 -5.743 -22.555 1.00 0.00 C ATOM 15 C SER A 3 -24.515 -5.092 -21.187 1.00 0.00 C ATOM 16 O SER A 3 -24.331 -3.884 -21.034 1.00 0.00 O ATOM 17 CB SER A 3 -23.297 -6.864 -22.466 1.00 0.00 C ATOM 18 OG SER A 3 -22.906 -7.302 -23.756 1.00 0.00 O ATOM 0 H SER A 3 -23.502 -3.916 -23.159 1.00 0.00 H new ATOM 0 HA SER A 3 -25.289 -6.165 -22.867 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.423 -6.513 -21.918 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.710 -7.702 -21.904 1.00 0.00 H new ATOM 0 HG SER A 3 -23.661 -7.212 -24.375 1.00 0.00 H new ATOM 24 N THR A 4 -24.876 -5.900 -20.196 1.00 0.00 N ATOM 25 CA THR A 4 -25.081 -5.402 -18.840 1.00 0.00 C ATOM 26 C THR A 4 -24.473 -6.353 -17.815 1.00 0.00 C ATOM 27 O THR A 4 -23.745 -5.932 -16.916 1.00 0.00 O ATOM 28 CB THR A 4 -26.574 -5.222 -18.561 1.00 0.00 C ATOM 29 OG1 THR A 4 -27.320 -6.294 -19.108 1.00 0.00 O ATOM 30 CG2 THR A 4 -27.138 -3.935 -19.124 1.00 0.00 C ATOM 0 H THR A 4 -25.033 -6.902 -20.306 1.00 0.00 H new ATOM 0 HA THR A 4 -24.583 -4.436 -18.755 1.00 0.00 H new ATOM 0 HB THR A 4 -26.663 -5.194 -17.475 1.00 0.00 H new ATOM 0 HG1 THR A 4 -28.272 -6.161 -18.917 1.00 0.00 H new ATOM 0 HG21 THR A 4 -28.201 -3.871 -18.890 1.00 0.00 H new ATOM 0 HG22 THR A 4 -26.617 -3.086 -18.682 1.00 0.00 H new ATOM 0 HG23 THR A 4 -27.003 -3.921 -20.205 1.00 0.00 H new ATOM 38 N SER A 5 -24.776 -7.640 -17.956 1.00 0.00 N ATOM 39 CA SER A 5 -24.260 -8.653 -17.042 1.00 0.00 C ATOM 40 C SER A 5 -23.248 -9.555 -17.743 1.00 0.00 C ATOM 41 O SER A 5 -23.554 -10.696 -18.089 1.00 0.00 O ATOM 42 CB SER A 5 -25.407 -9.493 -16.479 1.00 0.00 C ATOM 43 OG SER A 5 -26.042 -10.241 -17.502 1.00 0.00 O ATOM 0 H SER A 5 -25.377 -8.006 -18.695 1.00 0.00 H new ATOM 0 HA SER A 5 -23.756 -8.143 -16.221 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.025 -10.169 -15.714 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.135 -8.842 -15.995 1.00 0.00 H new ATOM 0 HG SER A 5 -25.363 -10.676 -18.059 1.00 0.00 H new ATOM 49 N ARG A 6 -22.042 -9.035 -17.949 1.00 0.00 N ATOM 50 CA ARG A 6 -20.984 -9.794 -18.608 1.00 0.00 C ATOM 51 C ARG A 6 -19.608 -9.245 -18.238 1.00 0.00 C ATOM 52 O ARG A 6 -18.728 -9.123 -19.089 1.00 0.00 O ATOM 53 CB ARG A 6 -21.171 -9.757 -20.126 1.00 0.00 C ATOM 54 CG ARG A 6 -22.497 -10.335 -20.591 1.00 0.00 C ATOM 55 CD ARG A 6 -22.567 -10.419 -22.107 1.00 0.00 C ATOM 56 NE ARG A 6 -23.511 -11.440 -22.556 1.00 0.00 N ATOM 57 CZ ARG A 6 -24.832 -11.329 -22.443 1.00 0.00 C ATOM 58 NH1 ARG A 6 -25.369 -10.246 -21.895 1.00 0.00 N ATOM 59 NH2 ARG A 6 -25.618 -12.303 -22.879 1.00 0.00 N ATOM 0 H ARG A 6 -21.773 -8.092 -17.669 1.00 0.00 H new ATOM 0 HA ARG A 6 -21.046 -10.827 -18.267 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -21.095 -8.725 -20.468 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -20.358 -10.310 -20.597 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -22.632 -11.329 -20.164 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -23.315 -9.716 -20.222 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -22.862 -9.450 -22.510 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -21.576 -10.642 -22.504 1.00 0.00 H new ATOM 0 HE ARG A 6 -23.135 -12.288 -22.981 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -24.768 -9.494 -21.558 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -26.382 -10.166 -21.811 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -25.210 -13.137 -23.301 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -26.631 -12.218 -22.793 1.00 0.00 H new ATOM 73 N LEU A 7 -19.432 -8.915 -16.962 1.00 0.00 N ATOM 74 CA LEU A 7 -18.165 -8.379 -16.479 1.00 0.00 C ATOM 75 C LEU A 7 -17.204 -9.505 -16.107 1.00 0.00 C ATOM 76 O LEU A 7 -17.579 -10.677 -16.094 1.00 0.00 O ATOM 77 CB LEU A 7 -18.402 -7.467 -15.272 1.00 0.00 C ATOM 78 CG LEU A 7 -18.213 -5.974 -15.544 1.00 0.00 C ATOM 79 CD1 LEU A 7 -16.764 -5.675 -15.896 1.00 0.00 C ATOM 80 CD2 LEU A 7 -19.140 -5.515 -16.659 1.00 0.00 C ATOM 0 H LEU A 7 -20.151 -9.010 -16.245 1.00 0.00 H new ATOM 0 HA LEU A 7 -17.714 -7.795 -17.281 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -19.416 -7.629 -14.907 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -17.724 -7.764 -14.472 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.466 -5.424 -14.638 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -16.649 -4.608 -16.086 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -16.120 -5.967 -15.066 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -16.483 -6.235 -16.788 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -18.992 -4.450 -16.840 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -18.918 -6.072 -17.569 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -20.175 -5.694 -16.368 1.00 0.00 H new ATOM 92 N ASP A 8 -15.962 -9.139 -15.805 1.00 0.00 N ATOM 93 CA ASP A 8 -14.944 -10.116 -15.434 1.00 0.00 C ATOM 94 C ASP A 8 -14.283 -9.744 -14.111 1.00 0.00 C ATOM 95 O ASP A 8 -14.050 -10.600 -13.258 1.00 0.00 O ATOM 96 CB ASP A 8 -13.885 -10.225 -16.533 1.00 0.00 C ATOM 97 CG ASP A 8 -14.437 -10.830 -17.808 1.00 0.00 C ATOM 98 OD1 ASP A 8 -14.850 -12.009 -17.778 1.00 0.00 O ATOM 99 OD2 ASP A 8 -14.456 -10.125 -18.840 1.00 0.00 O ATOM 0 H ASP A 8 -15.636 -8.172 -15.810 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.435 -11.082 -15.314 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.485 -9.234 -16.748 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.055 -10.834 -16.175 1.00 0.00 H new ATOM 104 N ALA A 9 -13.983 -8.461 -13.950 1.00 0.00 N ATOM 105 CA ALA A 9 -13.347 -7.969 -12.733 1.00 0.00 C ATOM 106 C ALA A 9 -11.961 -8.579 -12.552 1.00 0.00 C ATOM 107 O ALA A 9 -11.662 -9.640 -13.102 1.00 0.00 O ATOM 108 CB ALA A 9 -14.219 -8.266 -11.522 1.00 0.00 C ATOM 0 H ALA A 9 -14.170 -7.741 -14.648 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.231 -6.889 -12.826 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.731 -7.893 -10.622 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -15.185 -7.776 -11.640 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -14.366 -9.342 -11.435 1.00 0.00 H new ATOM 114 N LEU A 10 -11.118 -7.902 -11.778 1.00 0.00 N ATOM 115 CA LEU A 10 -9.762 -8.377 -11.525 1.00 0.00 C ATOM 116 C LEU A 10 -9.557 -8.671 -10.041 1.00 0.00 C ATOM 117 O LEU A 10 -10.186 -8.051 -9.184 1.00 0.00 O ATOM 118 CB LEU A 10 -8.741 -7.341 -11.999 1.00 0.00 C ATOM 119 CG LEU A 10 -8.276 -7.506 -13.450 1.00 0.00 C ATOM 120 CD1 LEU A 10 -8.372 -6.186 -14.198 1.00 0.00 C ATOM 121 CD2 LEU A 10 -6.853 -8.043 -13.497 1.00 0.00 C ATOM 0 H LEU A 10 -11.350 -7.023 -11.315 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.616 -9.302 -12.083 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.174 -6.347 -11.883 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.869 -7.387 -11.346 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.933 -8.225 -13.939 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.037 -6.325 -15.226 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.406 -5.841 -14.197 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.742 -5.444 -13.708 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.540 -8.154 -14.535 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.185 -7.348 -12.989 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.813 -9.013 -13.001 1.00 0.00 H new ATOM 133 N PRO A 11 -8.667 -9.626 -9.716 1.00 0.00 N ATOM 134 CA PRO A 11 -8.380 -10.000 -8.328 1.00 0.00 C ATOM 135 C PRO A 11 -8.028 -8.794 -7.464 1.00 0.00 C ATOM 136 O PRO A 11 -7.166 -7.991 -7.823 1.00 0.00 O ATOM 137 CB PRO A 11 -7.179 -10.939 -8.452 1.00 0.00 C ATOM 138 CG PRO A 11 -7.277 -11.501 -9.826 1.00 0.00 C ATOM 139 CD PRO A 11 -7.872 -10.414 -10.677 1.00 0.00 C ATOM 0 HA PRO A 11 -9.243 -10.455 -7.842 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.241 -10.402 -8.310 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.213 -11.726 -7.699 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.296 -11.795 -10.198 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.903 -12.393 -9.839 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.101 -9.808 -11.153 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.494 -10.822 -11.474 1.00 0.00 H new ATOM 147 N ARG A 12 -8.699 -8.672 -6.323 1.00 0.00 N ATOM 148 CA ARG A 12 -8.456 -7.564 -5.408 1.00 0.00 C ATOM 149 C ARG A 12 -7.360 -7.915 -4.407 1.00 0.00 C ATOM 150 O ARG A 12 -7.575 -8.705 -3.488 1.00 0.00 O ATOM 151 CB ARG A 12 -9.742 -7.198 -4.665 1.00 0.00 C ATOM 152 CG ARG A 12 -9.763 -5.768 -4.151 1.00 0.00 C ATOM 153 CD ARG A 12 -11.184 -5.276 -3.927 1.00 0.00 C ATOM 154 NE ARG A 12 -11.312 -3.843 -4.175 1.00 0.00 N ATOM 155 CZ ARG A 12 -10.922 -2.904 -3.316 1.00 0.00 C ATOM 156 NH1 ARG A 12 -10.377 -3.242 -2.153 1.00 0.00 N ATOM 157 NH2 ARG A 12 -11.074 -1.622 -3.620 1.00 0.00 N ATOM 0 H ARG A 12 -9.415 -9.327 -6.011 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.126 -6.707 -5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.592 -7.348 -5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.872 -7.879 -3.824 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.205 -5.708 -3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.260 -5.116 -4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.864 -5.820 -4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.486 -5.495 -2.903 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.725 -3.544 -5.059 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.255 -4.226 -1.914 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.080 -2.518 -1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.490 -1.355 -4.512 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.775 -0.903 -2.961 1.00 0.00 H new ATOM 171 N VAL A 13 -6.185 -7.320 -4.591 1.00 0.00 N ATOM 172 CA VAL A 13 -5.052 -7.565 -3.704 1.00 0.00 C ATOM 173 C VAL A 13 -4.813 -9.061 -3.513 1.00 0.00 C ATOM 174 O VAL A 13 -5.368 -9.676 -2.602 1.00 0.00 O ATOM 175 CB VAL A 13 -5.270 -6.906 -2.330 1.00 0.00 C ATOM 176 CG1 VAL A 13 -4.072 -7.136 -1.421 1.00 0.00 C ATOM 177 CG2 VAL A 13 -5.548 -5.419 -2.490 1.00 0.00 C ATOM 0 H VAL A 13 -5.992 -6.664 -5.348 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.175 -7.123 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.139 -7.370 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.251 -6.661 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.925 -8.206 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.181 -6.706 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.700 -4.970 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.700 -4.941 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.444 -5.279 -3.095 1.00 0.00 H new ATOM 187 N THR A 14 -3.985 -9.639 -4.378 1.00 0.00 N ATOM 188 CA THR A 14 -3.676 -11.062 -4.301 1.00 0.00 C ATOM 189 C THR A 14 -2.362 -11.374 -5.009 1.00 0.00 C ATOM 190 O THR A 14 -1.834 -10.549 -5.756 1.00 0.00 O ATOM 191 CB THR A 14 -4.808 -11.886 -4.918 1.00 0.00 C ATOM 192 OG1 THR A 14 -5.325 -11.246 -6.071 1.00 0.00 O ATOM 193 CG2 THR A 14 -5.962 -12.122 -3.968 1.00 0.00 C ATOM 0 H THR A 14 -3.517 -9.145 -5.138 1.00 0.00 H new ATOM 0 HA THR A 14 -3.573 -11.328 -3.249 1.00 0.00 H new ATOM 0 HB THR A 14 -4.361 -12.848 -5.168 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.213 -11.832 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.730 -12.712 -4.468 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.606 -12.660 -3.089 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.383 -11.164 -3.661 1.00 0.00 H new ATOM 201 N CYS A 15 -1.842 -12.572 -4.770 1.00 0.00 N ATOM 202 CA CYS A 15 -0.590 -13.005 -5.381 1.00 0.00 C ATOM 203 C CYS A 15 -0.798 -13.343 -6.857 1.00 0.00 C ATOM 204 O CYS A 15 -1.776 -13.998 -7.218 1.00 0.00 O ATOM 205 CB CYS A 15 -0.043 -14.221 -4.633 1.00 0.00 C ATOM 206 SG CYS A 15 1.532 -14.846 -5.268 1.00 0.00 S ATOM 0 H CYS A 15 -2.270 -13.264 -4.155 1.00 0.00 H new ATOM 0 HA CYS A 15 0.131 -12.190 -5.316 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.081 -13.960 -3.582 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.782 -15.021 -4.677 1.00 0.00 H new ATOM 211 N PRO A 16 0.119 -12.898 -7.737 1.00 0.00 N ATOM 212 CA PRO A 16 0.020 -13.158 -9.178 1.00 0.00 C ATOM 213 C PRO A 16 0.153 -14.638 -9.515 1.00 0.00 C ATOM 214 O PRO A 16 -0.400 -15.111 -10.509 1.00 0.00 O ATOM 215 CB PRO A 16 1.192 -12.367 -9.769 1.00 0.00 C ATOM 216 CG PRO A 16 2.153 -12.208 -8.642 1.00 0.00 C ATOM 217 CD PRO A 16 1.315 -12.106 -7.400 1.00 0.00 C ATOM 0 HA PRO A 16 -0.952 -12.864 -9.574 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.647 -12.899 -10.604 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.864 -11.399 -10.149 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.833 -13.058 -8.586 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.766 -11.317 -8.774 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.833 -12.509 -6.530 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.061 -11.071 -7.169 1.00 0.00 H new ATOM 225 N ASN A 17 0.891 -15.367 -8.684 1.00 0.00 N ATOM 226 CA ASN A 17 1.098 -16.796 -8.898 1.00 0.00 C ATOM 227 C ASN A 17 0.303 -17.634 -7.898 1.00 0.00 C ATOM 228 O ASN A 17 0.244 -18.858 -8.013 1.00 0.00 O ATOM 229 CB ASN A 17 2.587 -17.135 -8.794 1.00 0.00 C ATOM 230 CG ASN A 17 3.030 -18.119 -9.860 1.00 0.00 C ATOM 231 OD1 ASN A 17 2.977 -19.332 -9.662 1.00 0.00 O ATOM 232 ND2 ASN A 17 3.471 -17.598 -10.999 1.00 0.00 N ATOM 0 H ASN A 17 1.356 -14.993 -7.857 1.00 0.00 H new ATOM 0 HA ASN A 17 0.740 -17.037 -9.899 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.173 -16.220 -8.882 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.794 -17.553 -7.809 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.783 -18.210 -11.753 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.498 -16.586 -11.120 1.00 0.00 H new ATOM 239 N HIS A 18 -0.311 -16.975 -6.916 1.00 0.00 N ATOM 240 CA HIS A 18 -1.098 -17.674 -5.907 1.00 0.00 C ATOM 241 C HIS A 18 -2.476 -17.035 -5.748 1.00 0.00 C ATOM 242 O HIS A 18 -2.675 -16.175 -4.890 1.00 0.00 O ATOM 243 CB HIS A 18 -0.366 -17.675 -4.563 1.00 0.00 C ATOM 244 CG HIS A 18 0.847 -18.550 -4.542 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.081 -18.066 -4.160 1.00 0.00 N ATOM 246 CD2 HIS A 18 0.957 -19.865 -4.846 1.00 0.00 C ATOM 247 CE1 HIS A 18 2.902 -19.104 -4.237 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.266 -20.210 -4.650 1.00 0.00 N ATOM 0 H HIS A 18 -0.278 -15.962 -6.800 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.231 -18.703 -6.240 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.072 -16.654 -4.318 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.054 -18.004 -3.784 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.163 -20.517 -5.179 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.954 -19.064 -3.997 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.679 -21.132 -4.791 1.00 0.00 H new ATOM 256 N PRO A 19 -3.450 -17.453 -6.575 1.00 0.00 N ATOM 257 CA PRO A 19 -4.815 -16.919 -6.520 1.00 0.00 C ATOM 258 C PRO A 19 -5.559 -17.364 -5.265 1.00 0.00 C ATOM 259 O PRO A 19 -6.545 -16.743 -4.863 1.00 0.00 O ATOM 260 CB PRO A 19 -5.476 -17.506 -7.769 1.00 0.00 C ATOM 261 CG PRO A 19 -4.712 -18.753 -8.052 1.00 0.00 C ATOM 262 CD PRO A 19 -3.297 -18.479 -7.624 1.00 0.00 C ATOM 0 HA PRO A 19 -4.826 -15.830 -6.488 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.531 -17.719 -7.596 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.425 -16.811 -8.607 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.128 -19.598 -7.504 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.757 -19.006 -9.111 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.812 -19.377 -7.240 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.689 -18.118 -8.454 1.00 0.00 H new ATOM 270 N ASP A 20 -5.082 -18.441 -4.645 1.00 0.00 N ATOM 271 CA ASP A 20 -5.703 -18.963 -3.434 1.00 0.00 C ATOM 272 C ASP A 20 -5.002 -18.427 -2.186 1.00 0.00 C ATOM 273 O ASP A 20 -5.043 -19.050 -1.125 1.00 0.00 O ATOM 274 CB ASP A 20 -5.664 -20.492 -3.436 1.00 0.00 C ATOM 275 CG ASP A 20 -6.879 -21.101 -4.110 1.00 0.00 C ATOM 276 OD1 ASP A 20 -7.226 -20.654 -5.224 1.00 0.00 O ATOM 277 OD2 ASP A 20 -7.483 -22.024 -3.525 1.00 0.00 O ATOM 0 H ASP A 20 -4.268 -18.968 -4.962 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.741 -18.631 -3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.762 -20.829 -3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.603 -20.852 -2.409 1.00 0.00 H new ATOM 282 N ALA A 21 -4.365 -17.269 -2.322 1.00 0.00 N ATOM 283 CA ALA A 21 -3.658 -16.649 -1.209 1.00 0.00 C ATOM 284 C ALA A 21 -3.615 -15.134 -1.375 1.00 0.00 C ATOM 285 O ALA A 21 -3.672 -14.622 -2.493 1.00 0.00 O ATOM 286 CB ALA A 21 -2.250 -17.211 -1.096 1.00 0.00 C ATOM 0 H ALA A 21 -4.324 -16.741 -3.194 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.198 -16.877 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.735 -16.738 -0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.300 -18.287 -0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.704 -17.012 -2.018 1.00 0.00 H new ATOM 292 N ILE A 22 -3.515 -14.421 -0.259 1.00 0.00 N ATOM 293 CA ILE A 22 -3.468 -12.965 -0.290 1.00 0.00 C ATOM 294 C ILE A 22 -2.287 -12.434 0.512 1.00 0.00 C ATOM 295 O ILE A 22 -2.096 -12.801 1.672 1.00 0.00 O ATOM 296 CB ILE A 22 -4.767 -12.348 0.264 1.00 0.00 C ATOM 297 CG1 ILE A 22 -5.988 -13.016 -0.373 1.00 0.00 C ATOM 298 CG2 ILE A 22 -4.787 -10.847 0.017 1.00 0.00 C ATOM 299 CD1 ILE A 22 -6.615 -14.084 0.497 1.00 0.00 C ATOM 0 H ILE A 22 -3.465 -14.826 0.676 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.353 -12.677 -1.335 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.804 -12.520 1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.735 -12.254 -0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.694 -13.460 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.710 -10.425 0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.934 -10.385 0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.731 -10.654 -1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.474 -14.514 -0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.883 -14.866 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.940 -13.642 1.439 1.00 0.00 H new ATOM 311 N LEU A 23 -1.498 -11.564 -0.111 1.00 0.00 N ATOM 312 CA LEU A 23 -0.335 -10.977 0.548 1.00 0.00 C ATOM 313 C LEU A 23 -0.750 -10.258 1.828 1.00 0.00 C ATOM 314 O LEU A 23 -1.286 -9.150 1.784 1.00 0.00 O ATOM 315 CB LEU A 23 0.373 -10.006 -0.397 1.00 0.00 C ATOM 316 CG LEU A 23 1.618 -10.574 -1.080 1.00 0.00 C ATOM 317 CD1 LEU A 23 1.292 -11.025 -2.496 1.00 0.00 C ATOM 318 CD2 LEU A 23 2.740 -9.546 -1.090 1.00 0.00 C ATOM 0 H LEU A 23 -1.642 -11.250 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 23 0.355 -11.779 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.333 -9.687 -1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.657 -9.116 0.164 1.00 0.00 H new ATOM 0 HG LEU A 23 1.954 -11.442 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.190 -11.426 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.523 -11.797 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.929 -10.175 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.617 -9.969 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.415 -8.658 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.993 -9.274 -0.065 1.00 0.00 H new ATOM 330 N VAL A 24 -0.505 -10.898 2.965 1.00 0.00 N ATOM 331 CA VAL A 24 -0.858 -10.324 4.259 1.00 0.00 C ATOM 332 C VAL A 24 0.074 -9.175 4.629 1.00 0.00 C ATOM 333 O VAL A 24 1.180 -9.067 4.103 1.00 0.00 O ATOM 334 CB VAL A 24 -0.815 -11.382 5.377 1.00 0.00 C ATOM 335 CG1 VAL A 24 -1.440 -10.838 6.652 1.00 0.00 C ATOM 336 CG2 VAL A 24 -1.516 -12.658 4.935 1.00 0.00 C ATOM 0 H VAL A 24 -0.063 -11.816 3.018 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.876 -9.946 4.165 1.00 0.00 H new ATOM 0 HB VAL A 24 0.228 -11.621 5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.400 -11.600 7.430 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.890 -9.956 6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.479 -10.568 6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.475 -13.393 5.739 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.557 -12.438 4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.019 -13.059 4.051 1.00 0.00 H new ATOM 346 N GLU A 25 -0.380 -8.320 5.538 1.00 0.00 N ATOM 347 CA GLU A 25 0.416 -7.179 5.979 1.00 0.00 C ATOM 348 C GLU A 25 1.419 -7.597 7.048 1.00 0.00 C ATOM 349 O GLU A 25 1.153 -8.493 7.847 1.00 0.00 O ATOM 350 CB GLU A 25 -0.495 -6.074 6.519 1.00 0.00 C ATOM 351 CG GLU A 25 -1.362 -6.518 7.686 1.00 0.00 C ATOM 352 CD GLU A 25 -2.831 -6.608 7.320 1.00 0.00 C ATOM 353 OE1 GLU A 25 -3.395 -5.587 6.876 1.00 0.00 O ATOM 354 OE2 GLU A 25 -3.416 -7.700 7.479 1.00 0.00 O ATOM 0 H GLU A 25 -1.294 -8.394 5.984 1.00 0.00 H new ATOM 0 HA GLU A 25 0.967 -6.797 5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.119 -5.230 6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.138 -5.719 5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.019 -7.491 8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.239 -5.818 8.512 1.00 0.00 H new ATOM 361 N ASP A 26 2.575 -6.940 7.056 1.00 0.00 N ATOM 362 CA ASP A 26 3.619 -7.244 8.028 1.00 0.00 C ATOM 363 C ASP A 26 3.331 -6.568 9.364 1.00 0.00 C ATOM 364 O ASP A 26 3.676 -7.092 10.423 1.00 0.00 O ATOM 365 CB ASP A 26 4.984 -6.796 7.499 1.00 0.00 C ATOM 366 CG ASP A 26 6.079 -7.799 7.804 1.00 0.00 C ATOM 367 OD1 ASP A 26 5.965 -8.511 8.823 1.00 0.00 O ATOM 368 OD2 ASP A 26 7.051 -7.872 7.023 1.00 0.00 O ATOM 0 H ASP A 26 2.812 -6.195 6.401 1.00 0.00 H new ATOM 0 HA ASP A 26 3.634 -8.323 8.183 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.922 -6.647 6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.243 -5.833 7.940 1.00 0.00 H new ATOM 373 N TYR A 27 2.696 -5.402 9.308 1.00 0.00 N ATOM 374 CA TYR A 27 2.360 -4.654 10.514 1.00 0.00 C ATOM 375 C TYR A 27 3.617 -4.272 11.291 1.00 0.00 C ATOM 376 O TYR A 27 3.574 -4.091 12.508 1.00 0.00 O ATOM 377 CB TYR A 27 1.429 -5.478 11.404 1.00 0.00 C ATOM 378 CG TYR A 27 0.575 -4.642 12.331 1.00 0.00 C ATOM 379 CD1 TYR A 27 -0.300 -3.687 11.827 1.00 0.00 C ATOM 380 CD2 TYR A 27 0.643 -4.808 13.708 1.00 0.00 C ATOM 381 CE1 TYR A 27 -1.083 -2.921 12.670 1.00 0.00 C ATOM 382 CE2 TYR A 27 -0.137 -4.046 14.558 1.00 0.00 C ATOM 383 CZ TYR A 27 -0.998 -3.105 14.033 1.00 0.00 C ATOM 384 OH TYR A 27 -1.776 -2.345 14.876 1.00 0.00 O ATOM 0 H TYR A 27 2.403 -4.954 8.439 1.00 0.00 H new ATOM 0 HA TYR A 27 1.852 -3.738 10.212 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.779 -6.083 10.772 1.00 0.00 H new ATOM 0 HB3 TYR A 27 2.027 -6.168 11.999 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.369 -3.541 10.759 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.316 -5.544 14.122 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -1.758 -2.182 12.263 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.072 -4.187 15.627 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.597 -2.600 15.805 1.00 0.00 H new ATOM 394 N ARG A 28 4.735 -4.149 10.581 1.00 0.00 N ATOM 395 CA ARG A 28 6.002 -3.787 11.211 1.00 0.00 C ATOM 396 C ARG A 28 6.847 -2.914 10.296 1.00 0.00 C ATOM 397 O ARG A 28 8.062 -2.806 10.461 1.00 0.00 O ATOM 398 CB ARG A 28 6.780 -5.042 11.578 1.00 0.00 C ATOM 399 CG ARG A 28 7.625 -4.896 12.833 1.00 0.00 C ATOM 400 CD ARG A 28 9.090 -4.669 12.498 1.00 0.00 C ATOM 401 NE ARG A 28 9.978 -5.397 13.400 1.00 0.00 N ATOM 402 CZ ARG A 28 11.304 -5.277 13.392 1.00 0.00 C ATOM 403 NH1 ARG A 28 11.899 -4.462 12.530 1.00 0.00 N ATOM 404 NH2 ARG A 28 12.038 -5.976 14.247 1.00 0.00 N ATOM 0 H ARG A 28 4.790 -4.294 9.573 1.00 0.00 H new ATOM 0 HA ARG A 28 5.775 -3.219 12.113 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.079 -5.865 11.717 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.428 -5.313 10.745 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.254 -4.061 13.427 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.526 -5.792 13.445 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.280 -4.983 11.472 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.313 -3.603 12.552 1.00 0.00 H new ATOM 0 HE ARG A 28 9.558 -6.035 14.076 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.340 -3.923 11.869 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.915 -4.375 12.529 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.587 -6.606 14.911 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.054 -5.884 14.241 1.00 0.00 H new ATOM 418 N ALA A 29 6.190 -2.296 9.334 1.00 0.00 N ATOM 419 CA ALA A 29 6.859 -1.422 8.377 1.00 0.00 C ATOM 420 C ALA A 29 5.865 -0.824 7.389 1.00 0.00 C ATOM 421 O ALA A 29 5.982 0.339 7.001 1.00 0.00 O ATOM 422 CB ALA A 29 7.947 -2.186 7.634 1.00 0.00 C ATOM 0 H ALA A 29 5.184 -2.381 9.190 1.00 0.00 H new ATOM 0 HA ALA A 29 7.317 -0.603 8.932 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.438 -1.521 6.923 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.681 -2.560 8.348 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.502 -3.025 7.099 1.00 0.00 H new ATOM 428 N GLY A 30 4.885 -1.625 6.987 1.00 0.00 N ATOM 429 CA GLY A 30 3.883 -1.160 6.046 1.00 0.00 C ATOM 430 C GLY A 30 3.964 -1.876 4.711 1.00 0.00 C ATOM 431 O GLY A 30 3.638 -1.303 3.672 1.00 0.00 O ATOM 0 H GLY A 30 4.766 -2.590 7.296 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.891 -1.307 6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.007 -0.089 5.888 1.00 0.00 H new ATOM 435 N ASP A 31 4.400 -3.130 4.742 1.00 0.00 N ATOM 436 CA ASP A 31 4.525 -3.927 3.526 1.00 0.00 C ATOM 437 C ASP A 31 3.703 -5.208 3.627 1.00 0.00 C ATOM 438 O ASP A 31 3.268 -5.594 4.713 1.00 0.00 O ATOM 439 CB ASP A 31 5.993 -4.269 3.264 1.00 0.00 C ATOM 440 CG ASP A 31 6.606 -5.081 4.388 1.00 0.00 C ATOM 441 OD1 ASP A 31 6.310 -6.290 4.477 1.00 0.00 O ATOM 442 OD2 ASP A 31 7.383 -4.506 5.180 1.00 0.00 O ATOM 0 H ASP A 31 4.673 -3.617 5.595 1.00 0.00 H new ATOM 0 HA ASP A 31 4.142 -3.336 2.694 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.072 -4.827 2.331 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.560 -3.348 3.134 1.00 0.00 H new ATOM 447 N MET A 32 3.493 -5.863 2.491 1.00 0.00 N ATOM 448 CA MET A 32 2.722 -7.102 2.453 1.00 0.00 C ATOM 449 C MET A 32 3.618 -8.289 2.116 1.00 0.00 C ATOM 450 O MET A 32 4.773 -8.117 1.729 1.00 0.00 O ATOM 451 CB MET A 32 1.590 -6.993 1.429 1.00 0.00 C ATOM 452 CG MET A 32 0.826 -5.680 1.500 1.00 0.00 C ATOM 453 SD MET A 32 0.541 -4.950 -0.124 1.00 0.00 S ATOM 454 CE MET A 32 -0.616 -6.124 -0.825 1.00 0.00 C ATOM 0 H MET A 32 3.845 -5.558 1.584 1.00 0.00 H new ATOM 0 HA MET A 32 2.292 -7.264 3.441 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.005 -7.108 0.428 1.00 0.00 H new ATOM 0 HB3 MET A 32 0.893 -7.817 1.582 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.132 -5.848 1.991 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.381 -4.975 2.118 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.889 -5.809 -1.832 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.154 -7.110 -0.866 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.511 -6.168 -0.204 1.00 0.00 H new ATOM 464 N ILE A 33 3.078 -9.495 2.266 1.00 0.00 N ATOM 465 CA ILE A 33 3.832 -10.709 1.980 1.00 0.00 C ATOM 466 C ILE A 33 2.902 -11.899 1.757 1.00 0.00 C ATOM 467 O ILE A 33 1.876 -12.027 2.423 1.00 0.00 O ATOM 468 CB ILE A 33 4.818 -11.037 3.121 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.689 -12.243 2.756 1.00 0.00 C ATOM 470 CG2 ILE A 33 4.065 -11.291 4.420 1.00 0.00 C ATOM 471 CD1 ILE A 33 7.158 -11.909 2.632 1.00 0.00 C ATOM 0 H ILE A 33 2.122 -9.656 2.584 1.00 0.00 H new ATOM 0 HA ILE A 33 4.397 -10.525 1.066 1.00 0.00 H new ATOM 0 HB ILE A 33 5.473 -10.177 3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.563 -13.015 3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.339 -12.662 1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.776 -11.521 5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.495 -10.402 4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.385 -12.132 4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.715 -12.809 2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.296 -11.159 1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.524 -11.518 3.581 1.00 0.00 H new ATOM 483 N CYS A 34 3.267 -12.769 0.816 1.00 0.00 N ATOM 484 CA CYS A 34 2.460 -13.946 0.509 1.00 0.00 C ATOM 485 C CYS A 34 3.043 -15.187 1.187 1.00 0.00 C ATOM 486 O CYS A 34 4.064 -15.717 0.752 1.00 0.00 O ATOM 487 CB CYS A 34 2.389 -14.146 -1.008 1.00 0.00 C ATOM 488 SG CYS A 34 1.622 -15.697 -1.551 1.00 0.00 S ATOM 0 H CYS A 34 4.114 -12.680 0.255 1.00 0.00 H new ATOM 0 HA CYS A 34 1.451 -13.792 0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.834 -13.314 -1.442 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.400 -14.099 -1.412 1.00 0.00 H new ATOM 493 N PRO A 35 2.400 -15.669 2.269 1.00 0.00 N ATOM 494 CA PRO A 35 2.867 -16.850 3.002 1.00 0.00 C ATOM 495 C PRO A 35 3.173 -18.027 2.083 1.00 0.00 C ATOM 496 O PRO A 35 3.966 -18.903 2.423 1.00 0.00 O ATOM 497 CB PRO A 35 1.690 -17.184 3.920 1.00 0.00 C ATOM 498 CG PRO A 35 0.996 -15.884 4.134 1.00 0.00 C ATOM 499 CD PRO A 35 1.173 -15.101 2.861 1.00 0.00 C ATOM 0 HA PRO A 35 3.800 -16.655 3.531 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.026 -17.917 3.461 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.032 -17.610 4.863 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.061 -16.038 4.353 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.423 -15.350 4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.317 -15.218 2.197 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.280 -14.034 3.058 1.00 0.00 H new ATOM 507 N GLU A 36 2.535 -18.042 0.918 1.00 0.00 N ATOM 508 CA GLU A 36 2.736 -19.115 -0.046 1.00 0.00 C ATOM 509 C GLU A 36 4.147 -19.069 -0.637 1.00 0.00 C ATOM 510 O GLU A 36 5.011 -19.853 -0.244 1.00 0.00 O ATOM 511 CB GLU A 36 1.684 -19.028 -1.151 1.00 0.00 C ATOM 512 CG GLU A 36 0.998 -20.353 -1.442 1.00 0.00 C ATOM 513 CD GLU A 36 -0.136 -20.645 -0.479 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.162 -20.034 0.611 1.00 0.00 O ATOM 515 OE2 GLU A 36 -0.997 -21.485 -0.813 1.00 0.00 O ATOM 0 H GLU A 36 1.875 -17.324 0.619 1.00 0.00 H new ATOM 0 HA GLU A 36 2.625 -20.068 0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.931 -18.293 -0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.157 -18.665 -2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.611 -20.342 -2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.732 -21.157 -1.389 1.00 0.00 H new ATOM 522 N CYS A 37 4.389 -18.146 -1.571 1.00 0.00 N ATOM 523 CA CYS A 37 5.712 -18.025 -2.182 1.00 0.00 C ATOM 524 C CYS A 37 6.666 -17.305 -1.240 1.00 0.00 C ATOM 525 O CYS A 37 7.820 -17.704 -1.080 1.00 0.00 O ATOM 526 CB CYS A 37 5.657 -17.276 -3.520 1.00 0.00 C ATOM 527 SG CYS A 37 4.742 -15.721 -3.485 1.00 0.00 S ATOM 0 H CYS A 37 3.697 -17.481 -1.916 1.00 0.00 H new ATOM 0 HA CYS A 37 6.073 -19.036 -2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.676 -17.073 -3.848 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.206 -17.929 -4.267 1.00 0.00 H new ATOM 532 N GLY A 38 6.176 -16.240 -0.618 1.00 0.00 N ATOM 533 CA GLY A 38 6.995 -15.476 0.302 1.00 0.00 C ATOM 534 C GLY A 38 7.602 -14.251 -0.349 1.00 0.00 C ATOM 535 O GLY A 38 8.814 -14.040 -0.278 1.00 0.00 O ATOM 0 H GLY A 38 5.224 -15.892 -0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.389 -15.169 1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.792 -16.111 0.689 1.00 0.00 H new ATOM 539 N LEU A 39 6.762 -13.436 -0.980 1.00 0.00 N ATOM 540 CA LEU A 39 7.233 -12.223 -1.636 1.00 0.00 C ATOM 541 C LEU A 39 6.827 -10.997 -0.830 1.00 0.00 C ATOM 542 O LEU A 39 6.005 -11.094 0.079 1.00 0.00 O ATOM 543 CB LEU A 39 6.690 -12.139 -3.070 1.00 0.00 C ATOM 544 CG LEU A 39 5.275 -11.564 -3.217 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.300 -10.295 -4.056 1.00 0.00 C ATOM 546 CD2 LEU A 39 4.340 -12.592 -3.836 1.00 0.00 C ATOM 0 H LEU A 39 5.757 -13.593 -1.050 1.00 0.00 H new ATOM 0 HA LEU A 39 8.321 -12.255 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.373 -11.529 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.701 -13.140 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 39 4.902 -11.315 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.288 -9.901 -4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.935 -9.552 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.695 -10.521 -5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.342 -12.165 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.710 -12.874 -4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.297 -13.475 -3.199 1.00 0.00 H new ATOM 558 N VAL A 40 7.411 -9.849 -1.159 1.00 0.00 N ATOM 559 CA VAL A 40 7.108 -8.612 -0.451 1.00 0.00 C ATOM 560 C VAL A 40 6.689 -7.506 -1.412 1.00 0.00 C ATOM 561 O VAL A 40 7.470 -7.072 -2.259 1.00 0.00 O ATOM 562 CB VAL A 40 8.316 -8.125 0.371 1.00 0.00 C ATOM 563 CG1 VAL A 40 7.915 -6.970 1.275 1.00 0.00 C ATOM 564 CG2 VAL A 40 8.905 -9.269 1.184 1.00 0.00 C ATOM 0 H VAL A 40 8.095 -9.750 -1.909 1.00 0.00 H new ATOM 0 HA VAL A 40 6.280 -8.835 0.222 1.00 0.00 H new ATOM 0 HB VAL A 40 9.082 -7.768 -0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.781 -6.639 1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.545 -6.144 0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.131 -7.298 1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.757 -8.906 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.148 -9.659 1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.232 -10.063 0.512 1.00 0.00 H new ATOM 574 N VAL A 41 5.449 -7.051 -1.268 1.00 0.00 N ATOM 575 CA VAL A 41 4.918 -5.989 -2.116 1.00 0.00 C ATOM 576 C VAL A 41 4.693 -4.711 -1.314 1.00 0.00 C ATOM 577 O VAL A 41 3.905 -4.689 -0.369 1.00 0.00 O ATOM 578 CB VAL A 41 3.590 -6.407 -2.776 1.00 0.00 C ATOM 579 CG1 VAL A 41 3.137 -5.360 -3.781 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.729 -7.767 -3.438 1.00 0.00 C ATOM 0 H VAL A 41 4.792 -7.401 -0.571 1.00 0.00 H new ATOM 0 HA VAL A 41 5.658 -5.804 -2.894 1.00 0.00 H new ATOM 0 HB VAL A 41 2.829 -6.482 -2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.198 -5.674 -4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.993 -4.406 -3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.895 -5.247 -4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.781 -8.046 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.505 -7.722 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.001 -8.510 -2.689 1.00 0.00 H new ATOM 590 N GLY A 42 5.390 -3.646 -1.700 1.00 0.00 N ATOM 591 CA GLY A 42 5.250 -2.379 -1.007 1.00 0.00 C ATOM 592 C GLY A 42 6.360 -2.140 -0.001 1.00 0.00 C ATOM 593 O GLY A 42 6.150 -2.264 1.206 1.00 0.00 O ATOM 0 H GLY A 42 6.048 -3.638 -2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.244 -1.569 -1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.288 -2.353 -0.495 1.00 0.00 H new ATOM 597 N ASP A 43 7.543 -1.793 -0.499 1.00 0.00 N ATOM 598 CA ASP A 43 8.689 -1.535 0.363 1.00 0.00 C ATOM 599 C ASP A 43 9.094 -0.065 0.301 1.00 0.00 C ATOM 600 O ASP A 43 9.978 0.314 -0.466 1.00 0.00 O ATOM 601 CB ASP A 43 9.870 -2.420 -0.042 1.00 0.00 C ATOM 602 CG ASP A 43 10.629 -2.956 1.155 1.00 0.00 C ATOM 603 OD1 ASP A 43 10.204 -3.990 1.713 1.00 0.00 O ATOM 604 OD2 ASP A 43 11.648 -2.343 1.536 1.00 0.00 O ATOM 0 H ASP A 43 7.732 -1.684 -1.495 1.00 0.00 H new ATOM 0 HA ASP A 43 8.403 -1.773 1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.506 -3.255 -0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.550 -1.847 -0.673 1.00 0.00 H new ATOM 609 N ARG A 44 8.441 0.759 1.114 1.00 0.00 N ATOM 610 CA ARG A 44 8.734 2.186 1.150 1.00 0.00 C ATOM 611 C ARG A 44 9.604 2.534 2.353 1.00 0.00 C ATOM 612 O ARG A 44 9.460 3.601 2.948 1.00 0.00 O ATOM 613 CB ARG A 44 7.435 2.995 1.196 1.00 0.00 C ATOM 614 CG ARG A 44 6.434 2.599 0.122 1.00 0.00 C ATOM 615 CD ARG A 44 5.635 1.370 0.528 1.00 0.00 C ATOM 616 NE ARG A 44 4.211 1.521 0.235 1.00 0.00 N ATOM 617 CZ ARG A 44 3.691 1.424 -0.987 1.00 0.00 C ATOM 618 NH1 ARG A 44 4.472 1.177 -2.031 1.00 0.00 N ATOM 619 NH2 ARG A 44 2.385 1.574 -1.164 1.00 0.00 N ATOM 0 H ARG A 44 7.706 0.463 1.756 1.00 0.00 H new ATOM 0 HA ARG A 44 9.281 2.440 0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.973 2.870 2.175 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.672 4.053 1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.754 3.430 -0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.961 2.400 -0.811 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.022 0.496 0.004 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.768 1.187 1.594 1.00 0.00 H new ATOM 0 HE ARG A 44 3.579 1.712 1.012 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.477 1.060 -1.900 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.068 1.104 -2.965 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.780 1.763 -0.365 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.985 1.500 -2.100 1.00 0.00 H new ATOM 633 N VAL A 45 10.508 1.626 2.704 1.00 0.00 N ATOM 634 CA VAL A 45 11.403 1.837 3.836 1.00 0.00 C ATOM 635 C VAL A 45 12.733 1.122 3.627 1.00 0.00 C ATOM 636 O VAL A 45 12.820 -0.100 3.753 1.00 0.00 O ATOM 637 CB VAL A 45 10.769 1.345 5.150 1.00 0.00 C ATOM 638 CG1 VAL A 45 11.625 1.751 6.341 1.00 0.00 C ATOM 639 CG2 VAL A 45 9.353 1.882 5.293 1.00 0.00 C ATOM 0 H VAL A 45 10.640 0.737 2.221 1.00 0.00 H new ATOM 0 HA VAL A 45 11.579 2.910 3.905 1.00 0.00 H new ATOM 0 HB VAL A 45 10.719 0.256 5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.161 1.395 7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.618 1.312 6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.710 2.837 6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.921 1.524 6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.376 2.972 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.746 1.536 4.456 1.00 0.00 H new ATOM 649 N ILE A 46 13.769 1.891 3.309 1.00 0.00 N ATOM 650 CA ILE A 46 15.096 1.332 3.085 1.00 0.00 C ATOM 651 C ILE A 46 16.037 1.675 4.237 1.00 0.00 C ATOM 652 O ILE A 46 16.943 2.496 4.090 1.00 0.00 O ATOM 653 CB ILE A 46 15.706 1.843 1.764 1.00 0.00 C ATOM 654 CG1 ILE A 46 14.714 1.665 0.612 1.00 0.00 C ATOM 655 CG2 ILE A 46 17.009 1.116 1.465 1.00 0.00 C ATOM 656 CD1 ILE A 46 14.608 2.876 -0.287 1.00 0.00 C ATOM 0 H ILE A 46 13.715 2.904 3.201 1.00 0.00 H new ATOM 0 HA ILE A 46 14.979 0.250 3.025 1.00 0.00 H new ATOM 0 HB ILE A 46 15.921 2.906 1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 46 15.014 0.804 0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 46 13.730 1.440 1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.427 1.488 0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 46 17.718 1.292 2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 46 16.817 0.047 1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.887 2.678 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 46 14.278 3.735 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 46 15.582 3.089 -0.727 1.00 0.00 H new ATOM 668 N ASP A 47 15.815 1.039 5.383 1.00 0.00 N ATOM 669 CA ASP A 47 16.641 1.276 6.561 1.00 0.00 C ATOM 670 C ASP A 47 16.707 0.029 7.439 1.00 0.00 C ATOM 671 O ASP A 47 16.810 0.124 8.661 1.00 0.00 O ATOM 672 CB ASP A 47 16.090 2.454 7.368 1.00 0.00 C ATOM 673 CG ASP A 47 17.023 2.873 8.488 1.00 0.00 C ATOM 674 OD1 ASP A 47 18.027 3.558 8.199 1.00 0.00 O ATOM 675 OD2 ASP A 47 16.748 2.517 9.653 1.00 0.00 O ATOM 0 H ASP A 47 15.070 0.356 5.521 1.00 0.00 H new ATOM 0 HA ASP A 47 17.650 1.516 6.225 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.923 3.301 6.702 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.122 2.182 7.788 1.00 0.00 H new ATOM 680 N VAL A 48 16.647 -1.137 6.805 1.00 0.00 N ATOM 681 CA VAL A 48 16.699 -2.402 7.527 1.00 0.00 C ATOM 682 C VAL A 48 18.034 -2.568 8.247 1.00 0.00 C ATOM 683 O VAL A 48 19.086 -2.654 7.614 1.00 0.00 O ATOM 684 CB VAL A 48 16.488 -3.600 6.581 1.00 0.00 C ATOM 685 CG1 VAL A 48 16.389 -4.896 7.371 1.00 0.00 C ATOM 686 CG2 VAL A 48 15.247 -3.394 5.725 1.00 0.00 C ATOM 0 H VAL A 48 16.562 -1.232 5.793 1.00 0.00 H new ATOM 0 HA VAL A 48 15.892 -2.381 8.259 1.00 0.00 H new ATOM 0 HB VAL A 48 17.351 -3.670 5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.240 -5.730 6.685 1.00 0.00 H new ATOM 0 HG12 VAL A 48 17.309 -5.050 7.935 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.547 -4.838 8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 48 15.115 -4.250 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 48 14.373 -3.295 6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.363 -2.489 5.128 1.00 0.00 H new ATOM 696 N GLY A 49 17.982 -2.611 9.575 1.00 0.00 N ATOM 697 CA GLY A 49 19.194 -2.766 10.359 1.00 0.00 C ATOM 698 C GLY A 49 19.825 -1.437 10.724 1.00 0.00 C ATOM 699 O GLY A 49 19.634 -0.439 10.028 1.00 0.00 O ATOM 0 H GLY A 49 17.124 -2.541 10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.965 -3.318 11.271 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.912 -3.363 9.797 1.00 0.00 H new ATOM 703 N SER A 50 20.577 -1.422 11.819 1.00 0.00 N ATOM 704 CA SER A 50 21.238 -0.205 12.277 1.00 0.00 C ATOM 705 C SER A 50 22.553 0.010 11.532 1.00 0.00 C ATOM 706 O SER A 50 22.865 -0.707 10.583 1.00 0.00 O ATOM 707 CB SER A 50 21.496 -0.275 13.783 1.00 0.00 C ATOM 708 OG SER A 50 20.335 -0.689 14.480 1.00 0.00 O ATOM 0 H SER A 50 20.744 -2.239 12.406 1.00 0.00 H new ATOM 0 HA SER A 50 20.580 0.638 12.069 1.00 0.00 H new ATOM 0 HB2 SER A 50 22.312 -0.970 13.984 1.00 0.00 H new ATOM 0 HB3 SER A 50 21.813 0.702 14.147 1.00 0.00 H new ATOM 0 HG SER A 50 20.526 -0.727 15.440 1.00 0.00 H new ATOM 714 N GLU A 51 23.318 1.005 11.971 1.00 0.00 N ATOM 715 CA GLU A 51 24.597 1.317 11.344 1.00 0.00 C ATOM 716 C GLU A 51 25.759 0.968 12.271 1.00 0.00 C ATOM 717 O GLU A 51 26.846 0.615 11.814 1.00 0.00 O ATOM 718 CB GLU A 51 24.656 2.799 10.966 1.00 0.00 C ATOM 719 CG GLU A 51 25.006 3.041 9.506 1.00 0.00 C ATOM 720 CD GLU A 51 26.314 2.387 9.105 1.00 0.00 C ATOM 721 OE1 GLU A 51 27.248 2.370 9.934 1.00 0.00 O ATOM 722 OE2 GLU A 51 26.404 1.893 7.961 1.00 0.00 O ATOM 0 H GLU A 51 23.075 1.608 12.757 1.00 0.00 H new ATOM 0 HA GLU A 51 24.686 0.715 10.440 1.00 0.00 H new ATOM 0 HB2 GLU A 51 23.691 3.259 11.181 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.394 3.297 11.595 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.204 2.658 8.875 1.00 0.00 H new ATOM 0 HG3 GLU A 51 25.069 4.114 9.324 1.00 0.00 H new ATOM 729 N TRP A 52 25.522 1.070 13.574 1.00 0.00 N ATOM 730 CA TRP A 52 26.551 0.765 14.564 1.00 0.00 C ATOM 731 C TRP A 52 25.976 -0.055 15.714 1.00 0.00 C ATOM 732 O TRP A 52 26.561 -1.057 16.126 1.00 0.00 O ATOM 733 CB TRP A 52 27.168 2.058 15.105 1.00 0.00 C ATOM 734 CG TRP A 52 27.454 3.073 14.041 1.00 0.00 C ATOM 735 CD1 TRP A 52 26.652 4.109 13.659 1.00 0.00 C ATOM 736 CD2 TRP A 52 28.627 3.148 13.221 1.00 0.00 C ATOM 737 NE1 TRP A 52 27.254 4.825 12.652 1.00 0.00 N ATOM 738 CE2 TRP A 52 28.467 4.255 12.366 1.00 0.00 C ATOM 739 CE3 TRP A 52 29.796 2.389 13.128 1.00 0.00 C ATOM 740 CZ2 TRP A 52 29.432 4.618 11.431 1.00 0.00 C ATOM 741 CZ3 TRP A 52 30.754 2.750 12.199 1.00 0.00 C ATOM 742 CH2 TRP A 52 30.567 3.857 11.361 1.00 0.00 C ATOM 0 H TRP A 52 24.628 1.361 13.970 1.00 0.00 H new ATOM 0 HA TRP A 52 27.326 0.176 14.074 1.00 0.00 H new ATOM 0 HB2 TRP A 52 26.492 2.494 15.840 1.00 0.00 H new ATOM 0 HB3 TRP A 52 28.095 1.819 15.627 1.00 0.00 H new ATOM 0 HD1 TRP A 52 25.686 4.333 14.086 1.00 0.00 H new ATOM 0 HE1 TRP A 52 26.862 5.647 12.192 1.00 0.00 H new ATOM 0 HE3 TRP A 52 29.949 1.535 13.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 29.290 5.471 10.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 31.661 2.169 12.118 1.00 0.00 H new ATOM 0 HH2 TRP A 52 31.334 4.115 10.646 1.00 0.00 H new ATOM 753 N ARG A 53 24.829 0.383 16.230 1.00 0.00 N ATOM 754 CA ARG A 53 24.163 -0.302 17.338 1.00 0.00 C ATOM 755 C ARG A 53 25.156 -0.691 18.432 1.00 0.00 C ATOM 756 O ARG A 53 24.970 -1.693 19.124 1.00 0.00 O ATOM 757 CB ARG A 53 23.412 -1.540 16.830 1.00 0.00 C ATOM 758 CG ARG A 53 24.309 -2.721 16.478 1.00 0.00 C ATOM 759 CD ARG A 53 24.526 -2.832 14.978 1.00 0.00 C ATOM 760 NE ARG A 53 24.463 -4.218 14.519 1.00 0.00 N ATOM 761 CZ ARG A 53 25.334 -5.158 14.881 1.00 0.00 C ATOM 762 NH1 ARG A 53 26.338 -4.865 15.698 1.00 0.00 N ATOM 763 NH2 ARG A 53 25.201 -6.395 14.422 1.00 0.00 N ATOM 0 H ARG A 53 24.339 1.213 15.897 1.00 0.00 H new ATOM 0 HA ARG A 53 23.443 0.391 17.773 1.00 0.00 H new ATOM 0 HB2 ARG A 53 22.699 -1.855 17.592 1.00 0.00 H new ATOM 0 HB3 ARG A 53 22.834 -1.263 15.948 1.00 0.00 H new ATOM 0 HG2 ARG A 53 25.271 -2.609 16.978 1.00 0.00 H new ATOM 0 HG3 ARG A 53 23.861 -3.642 16.850 1.00 0.00 H new ATOM 0 HD2 ARG A 53 23.771 -2.243 14.457 1.00 0.00 H new ATOM 0 HD3 ARG A 53 25.496 -2.408 14.719 1.00 0.00 H new ATOM 0 HE ARG A 53 23.708 -4.480 13.885 1.00 0.00 H new ATOM 0 HH11 ARG A 53 26.446 -3.915 16.053 1.00 0.00 H new ATOM 0 HH12 ARG A 53 27.001 -5.590 15.971 1.00 0.00 H new ATOM 0 HH21 ARG A 53 24.432 -6.625 13.792 1.00 0.00 H new ATOM 0 HH22 ARG A 53 25.867 -7.116 14.698 1.00 0.00 H new ATOM 777 N THR A 54 26.207 0.107 18.583 1.00 0.00 N ATOM 778 CA THR A 54 27.228 -0.154 19.592 1.00 0.00 C ATOM 779 C THR A 54 26.966 0.658 20.855 1.00 0.00 C ATOM 780 O THR A 54 27.030 1.887 20.839 1.00 0.00 O ATOM 781 CB THR A 54 28.616 0.173 19.040 1.00 0.00 C ATOM 782 OG1 THR A 54 28.545 1.223 18.092 1.00 0.00 O ATOM 783 CG2 THR A 54 29.287 -1.006 18.369 1.00 0.00 C ATOM 0 H THR A 54 26.375 0.941 18.020 1.00 0.00 H new ATOM 0 HA THR A 54 27.187 -1.213 19.848 1.00 0.00 H new ATOM 0 HB THR A 54 29.209 0.463 19.907 1.00 0.00 H new ATOM 0 HG1 THR A 54 29.443 1.418 17.752 1.00 0.00 H new ATOM 0 HG21 THR A 54 30.268 -0.705 18.000 1.00 0.00 H new ATOM 0 HG22 THR A 54 29.403 -1.817 19.089 1.00 0.00 H new ATOM 0 HG23 THR A 54 28.674 -1.347 17.534 1.00 0.00 H new ATOM 791 N PHE A 55 26.671 -0.038 21.948 1.00 0.00 N ATOM 792 CA PHE A 55 26.399 0.619 23.222 1.00 0.00 C ATOM 793 C PHE A 55 25.204 1.560 23.105 1.00 0.00 C ATOM 794 O PHE A 55 25.366 2.772 22.961 1.00 0.00 O ATOM 795 CB PHE A 55 27.632 1.393 23.694 1.00 0.00 C ATOM 796 CG PHE A 55 27.860 1.313 25.176 1.00 0.00 C ATOM 797 CD1 PHE A 55 27.028 1.986 26.056 1.00 0.00 C ATOM 798 CD2 PHE A 55 28.908 0.564 25.690 1.00 0.00 C ATOM 799 CE1 PHE A 55 27.236 1.913 27.420 1.00 0.00 C ATOM 800 CE2 PHE A 55 29.121 0.488 27.053 1.00 0.00 C ATOM 801 CZ PHE A 55 28.283 1.164 27.919 1.00 0.00 C ATOM 0 H PHE A 55 26.614 -1.056 21.978 1.00 0.00 H new ATOM 0 HA PHE A 55 26.160 -0.150 23.956 1.00 0.00 H new ATOM 0 HB2 PHE A 55 28.512 1.008 23.178 1.00 0.00 H new ATOM 0 HB3 PHE A 55 27.526 2.439 23.407 1.00 0.00 H new ATOM 0 HD1 PHE A 55 26.208 2.574 25.672 1.00 0.00 H new ATOM 0 HD2 PHE A 55 29.565 0.034 25.017 1.00 0.00 H new ATOM 0 HE1 PHE A 55 26.580 2.442 28.096 1.00 0.00 H new ATOM 0 HE2 PHE A 55 29.941 -0.099 27.441 1.00 0.00 H new ATOM 0 HZ PHE A 55 28.447 1.107 28.985 1.00 0.00 H new ATOM 811 N SER A 56 24.004 0.994 23.169 1.00 0.00 N ATOM 812 CA SER A 56 22.781 1.782 23.071 1.00 0.00 C ATOM 813 C SER A 56 21.759 1.329 24.108 1.00 0.00 C ATOM 814 O SER A 56 20.779 0.660 23.780 1.00 0.00 O ATOM 815 CB SER A 56 22.187 1.665 21.665 1.00 0.00 C ATOM 816 OG SER A 56 21.553 2.872 21.277 1.00 0.00 O ATOM 0 H SER A 56 23.852 -0.008 23.288 1.00 0.00 H new ATOM 0 HA SER A 56 23.031 2.825 23.266 1.00 0.00 H new ATOM 0 HB2 SER A 56 22.975 1.419 20.953 1.00 0.00 H new ATOM 0 HB3 SER A 56 21.467 0.847 21.638 1.00 0.00 H new ATOM 0 HG SER A 56 21.183 2.772 20.375 1.00 0.00 H new ATOM 822 N ASN A 57 21.993 1.700 25.363 1.00 0.00 N ATOM 823 CA ASN A 57 21.092 1.332 26.449 1.00 0.00 C ATOM 824 C ASN A 57 21.306 2.232 27.662 1.00 0.00 C ATOM 825 O ASN A 57 20.347 2.706 28.272 1.00 0.00 O ATOM 826 CB ASN A 57 21.305 -0.131 26.842 1.00 0.00 C ATOM 827 CG ASN A 57 20.628 -1.092 25.883 1.00 0.00 C ATOM 828 OD1 ASN A 57 21.267 -1.649 24.991 1.00 0.00 O ATOM 829 ND2 ASN A 57 19.327 -1.289 26.065 1.00 0.00 N ATOM 0 H ASN A 57 22.798 2.255 25.653 1.00 0.00 H new ATOM 0 HA ASN A 57 20.068 1.462 26.098 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.373 -0.344 26.872 1.00 0.00 H new ATOM 0 HB3 ASN A 57 20.919 -0.294 27.848 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.817 -1.924 25.451 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.838 -0.805 26.818 1.00 0.00 H new ATOM 836 N ASP A 58 22.569 2.463 28.007 1.00 0.00 N ATOM 837 CA ASP A 58 22.907 3.306 29.148 1.00 0.00 C ATOM 838 C ASP A 58 22.346 2.722 30.440 1.00 0.00 C ATOM 839 O ASP A 58 21.407 1.927 30.417 1.00 0.00 O ATOM 840 CB ASP A 58 22.370 4.723 28.939 1.00 0.00 C ATOM 841 CG ASP A 58 23.301 5.577 28.098 1.00 0.00 C ATOM 842 OD1 ASP A 58 24.397 5.920 28.589 1.00 0.00 O ATOM 843 OD2 ASP A 58 22.933 5.900 26.950 1.00 0.00 O ATOM 0 H ASP A 58 23.374 2.078 27.513 1.00 0.00 H new ATOM 0 HA ASP A 58 23.993 3.346 29.230 1.00 0.00 H new ATOM 0 HB2 ASP A 58 21.394 4.671 28.456 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.221 5.199 29.908 1.00 0.00 H new ATOM 848 N LYS A 59 22.928 3.122 31.566 1.00 0.00 N ATOM 849 CA LYS A 59 22.487 2.638 32.868 1.00 0.00 C ATOM 850 C LYS A 59 22.511 3.759 33.903 1.00 0.00 C ATOM 851 O LYS A 59 21.519 4.008 34.587 1.00 0.00 O ATOM 852 CB LYS A 59 23.373 1.481 33.333 1.00 0.00 C ATOM 853 CG LYS A 59 24.844 1.849 33.448 1.00 0.00 C ATOM 854 CD LYS A 59 25.739 0.765 32.871 1.00 0.00 C ATOM 855 CE LYS A 59 27.072 1.330 32.409 1.00 0.00 C ATOM 856 NZ LYS A 59 27.013 1.815 31.002 1.00 0.00 N ATOM 857 OXT LYS A 59 23.703 4.530 34.081 1.00 0.00 O ATOM 0 H LYS A 59 23.706 3.780 31.602 1.00 0.00 H new ATOM 0 HA LYS A 59 21.461 2.283 32.766 1.00 0.00 H new ATOM 0 HB2 LYS A 59 23.018 1.129 34.302 1.00 0.00 H new ATOM 0 HB3 LYS A 59 23.268 0.651 32.635 1.00 0.00 H new ATOM 0 HG2 LYS A 59 25.026 2.788 32.926 1.00 0.00 H new ATOM 0 HG3 LYS A 59 25.098 2.012 34.495 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.910 -0.005 33.623 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.236 0.285 32.032 1.00 0.00 H new ATOM 0 HE2 LYS A 59 27.365 2.151 33.064 1.00 0.00 H new ATOM 0 HE3 LYS A 59 27.841 0.563 32.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 27.942 2.192 30.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 26.759 1.026 30.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.297 2.565 30.923 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.486 -16.157 -3.631 1.00 0.00 ZN