USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 403 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 32 HIS HD1 : A 32 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 8 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-2.2) USER MOD Set 1.2: A 23 MET CE :methyl 163:sc= -0.0279 (180deg=-0.178) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0832 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0193 USER MOD Single : A 5 SER OG : rot -41:sc= 0.906 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 72:sc= 1.17 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 0:sc= -0.439 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -148:sc= -0.0347 (180deg=-1.62!) USER MOD Single : A 54 GLN : amide:sc= -0.156 K(o=-0.16,f=-0.78) USER MOD Single : A 56 GLN : amide:sc= -0.787 X(o=-0.79,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.555 9.158 9.491 1.00 0.00 N ATOM 2 CA GLY A 1 -9.909 9.268 10.000 1.00 0.00 C ATOM 3 C GLY A 1 -10.637 7.938 10.002 1.00 0.00 C ATOM 4 O GLY A 1 -10.214 6.990 9.340 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.880 9.377 10.251 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.390 8.190 9.150 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.423 9.828 8.707 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.881 9.665 11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.465 9.982 9.393 1.00 0.00 H new ATOM 8 N SER A 2 -11.734 7.867 10.749 1.00 0.00 N ATOM 9 CA SER A 2 -12.520 6.642 10.839 1.00 0.00 C ATOM 10 C SER A 2 -13.360 6.441 9.581 1.00 0.00 C ATOM 11 O SER A 2 -13.987 7.376 9.085 1.00 0.00 O ATOM 12 CB SER A 2 -13.426 6.681 12.071 1.00 0.00 C ATOM 13 OG SER A 2 -12.666 6.803 13.260 1.00 0.00 O ATOM 0 H SER A 2 -12.099 8.643 11.301 1.00 0.00 H new ATOM 0 HA SER A 2 -11.830 5.803 10.931 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.118 7.519 11.991 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.028 5.773 12.112 1.00 0.00 H new ATOM 0 HG SER A 2 -13.269 6.827 14.032 1.00 0.00 H new ATOM 19 N SER A 3 -13.366 5.214 9.071 1.00 0.00 N ATOM 20 CA SER A 3 -14.125 4.890 7.869 1.00 0.00 C ATOM 21 C SER A 3 -14.181 3.380 7.652 1.00 0.00 C ATOM 22 O SER A 3 -13.152 2.729 7.474 1.00 0.00 O ATOM 23 CB SER A 3 -13.501 5.569 6.648 1.00 0.00 C ATOM 24 OG SER A 3 -12.136 5.873 6.875 1.00 0.00 O ATOM 0 H SER A 3 -12.854 4.428 9.471 1.00 0.00 H new ATOM 0 HA SER A 3 -15.142 5.259 8.001 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.592 4.917 5.779 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.047 6.484 6.418 1.00 0.00 H new ATOM 0 HG SER A 3 -11.760 6.305 6.080 1.00 0.00 H new ATOM 30 N GLY A 4 -15.391 2.831 7.669 1.00 0.00 N ATOM 31 CA GLY A 4 -15.561 1.403 7.474 1.00 0.00 C ATOM 32 C GLY A 4 -15.797 0.663 8.776 1.00 0.00 C ATOM 33 O GLY A 4 -16.858 0.791 9.386 1.00 0.00 O ATOM 0 H GLY A 4 -16.257 3.350 7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.402 1.229 6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.675 0.998 6.985 1.00 0.00 H new ATOM 37 N SER A 5 -14.806 -0.114 9.201 1.00 0.00 N ATOM 38 CA SER A 5 -14.913 -0.881 10.437 1.00 0.00 C ATOM 39 C SER A 5 -13.601 -0.845 11.214 1.00 0.00 C ATOM 40 O SER A 5 -13.223 -1.821 11.861 1.00 0.00 O ATOM 41 CB SER A 5 -15.298 -2.330 10.130 1.00 0.00 C ATOM 42 OG SER A 5 -15.481 -3.072 11.324 1.00 0.00 O ATOM 0 H SER A 5 -13.920 -0.229 8.708 1.00 0.00 H new ATOM 0 HA SER A 5 -15.691 -0.428 11.051 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.215 -2.349 9.542 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.521 -2.796 9.524 1.00 0.00 H new ATOM 0 HG SER A 5 -14.784 -2.830 11.969 1.00 0.00 H new ATOM 48 N SER A 6 -12.911 0.289 11.146 1.00 0.00 N ATOM 49 CA SER A 6 -11.639 0.453 11.840 1.00 0.00 C ATOM 50 C SER A 6 -10.666 -0.658 11.460 1.00 0.00 C ATOM 51 O SER A 6 -10.147 -1.367 12.322 1.00 0.00 O ATOM 52 CB SER A 6 -11.857 0.460 13.354 1.00 0.00 C ATOM 53 OG SER A 6 -12.889 1.361 13.717 1.00 0.00 O ATOM 0 H SER A 6 -13.211 1.108 10.617 1.00 0.00 H new ATOM 0 HA SER A 6 -11.209 1.408 11.538 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.111 -0.544 13.692 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.931 0.741 13.856 1.00 0.00 H new ATOM 0 HG SER A 6 -13.010 1.345 14.689 1.00 0.00 H new ATOM 59 N GLY A 7 -10.423 -0.805 10.161 1.00 0.00 N ATOM 60 CA GLY A 7 -9.513 -1.832 9.688 1.00 0.00 C ATOM 61 C GLY A 7 -8.812 -1.438 8.402 1.00 0.00 C ATOM 62 O GLY A 7 -9.461 -1.166 7.392 1.00 0.00 O ATOM 0 H GLY A 7 -10.840 -0.231 9.428 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.768 -2.035 10.457 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.066 -2.758 9.528 1.00 0.00 H new ATOM 66 N HIS A 8 -7.484 -1.407 8.440 1.00 0.00 N ATOM 67 CA HIS A 8 -6.695 -1.042 7.269 1.00 0.00 C ATOM 68 C HIS A 8 -7.010 0.383 6.823 1.00 0.00 C ATOM 69 O HIS A 8 -7.972 0.990 7.291 1.00 0.00 O ATOM 70 CB HIS A 8 -6.962 -2.019 6.123 1.00 0.00 C ATOM 71 CG HIS A 8 -6.761 -3.454 6.501 1.00 0.00 C ATOM 72 ND1 HIS A 8 -7.618 -4.140 7.334 1.00 0.00 N ATOM 73 CD2 HIS A 8 -5.794 -4.334 6.152 1.00 0.00 C ATOM 74 CE1 HIS A 8 -7.186 -5.380 7.483 1.00 0.00 C ATOM 75 NE2 HIS A 8 -6.081 -5.523 6.775 1.00 0.00 N ATOM 0 H HIS A 8 -6.932 -1.630 9.268 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.641 -1.093 7.542 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.985 -1.884 5.772 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.304 -1.776 5.288 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.953 -4.137 5.504 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.657 -6.146 8.082 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.530 -6.378 6.703 1.00 0.00 H new ATOM 83 N GLU A 9 -6.193 0.908 5.915 1.00 0.00 N ATOM 84 CA GLU A 9 -6.386 2.262 5.408 1.00 0.00 C ATOM 85 C GLU A 9 -7.375 2.272 4.246 1.00 0.00 C ATOM 86 O GLU A 9 -7.910 1.231 3.863 1.00 0.00 O ATOM 87 CB GLU A 9 -5.050 2.857 4.960 1.00 0.00 C ATOM 88 CG GLU A 9 -3.920 2.631 5.950 1.00 0.00 C ATOM 89 CD GLU A 9 -2.813 3.659 5.816 1.00 0.00 C ATOM 90 OE1 GLU A 9 -3.125 4.867 5.778 1.00 0.00 O ATOM 91 OE2 GLU A 9 -1.633 3.254 5.750 1.00 0.00 O ATOM 0 H GLU A 9 -5.393 0.417 5.516 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.794 2.870 6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.772 2.423 4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.174 3.928 4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.319 2.662 6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.505 1.634 5.801 1.00 0.00 H new ATOM 98 N ASP A 10 -7.613 3.454 3.690 1.00 0.00 N ATOM 99 CA ASP A 10 -8.537 3.601 2.571 1.00 0.00 C ATOM 100 C ASP A 10 -8.012 4.617 1.562 1.00 0.00 C ATOM 101 O ASP A 10 -8.784 5.240 0.832 1.00 0.00 O ATOM 102 CB ASP A 10 -9.917 4.030 3.074 1.00 0.00 C ATOM 103 CG ASP A 10 -10.733 2.862 3.592 1.00 0.00 C ATOM 104 OD1 ASP A 10 -10.336 2.268 4.617 1.00 0.00 O ATOM 105 OD2 ASP A 10 -11.769 2.542 2.973 1.00 0.00 O ATOM 0 H ASP A 10 -7.179 4.325 3.996 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.624 2.634 2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.798 4.767 3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.460 4.518 2.265 1.00 0.00 H new ATOM 110 N PHE A 11 -6.694 4.781 1.526 1.00 0.00 N ATOM 111 CA PHE A 11 -6.065 5.723 0.608 1.00 0.00 C ATOM 112 C PHE A 11 -4.707 5.205 0.143 1.00 0.00 C ATOM 113 O PHE A 11 -3.947 4.632 0.925 1.00 0.00 O ATOM 114 CB PHE A 11 -5.900 7.089 1.278 1.00 0.00 C ATOM 115 CG PHE A 11 -7.136 7.559 1.991 1.00 0.00 C ATOM 116 CD1 PHE A 11 -8.173 8.151 1.289 1.00 0.00 C ATOM 117 CD2 PHE A 11 -7.259 7.410 3.363 1.00 0.00 C ATOM 118 CE1 PHE A 11 -9.312 8.585 1.942 1.00 0.00 C ATOM 119 CE2 PHE A 11 -8.396 7.842 4.021 1.00 0.00 C ATOM 120 CZ PHE A 11 -9.423 8.431 3.310 1.00 0.00 C ATOM 0 H PHE A 11 -6.040 4.273 2.122 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.712 5.829 -0.263 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.076 7.039 1.990 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.624 7.825 0.523 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.091 8.275 0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.458 6.952 3.925 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.114 9.044 1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.481 7.719 5.091 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.311 8.770 3.823 1.00 0.00 H new ATOM 130 N CYS A 12 -4.408 5.411 -1.135 1.00 0.00 N ATOM 131 CA CYS A 12 -3.143 4.965 -1.707 1.00 0.00 C ATOM 132 C CYS A 12 -1.965 5.459 -0.872 1.00 0.00 C ATOM 133 O CYS A 12 -1.952 6.601 -0.412 1.00 0.00 O ATOM 134 CB CYS A 12 -3.006 5.463 -3.147 1.00 0.00 C ATOM 135 SG CYS A 12 -1.536 4.830 -4.016 1.00 0.00 S ATOM 0 H CYS A 12 -5.025 5.884 -1.795 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.136 3.875 -1.705 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.897 5.176 -3.706 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -2.971 6.552 -3.142 1.00 0.00 H new ATOM 140 N SER A 13 -0.977 4.591 -0.681 1.00 0.00 N ATOM 141 CA SER A 13 0.204 4.937 0.101 1.00 0.00 C ATOM 142 C SER A 13 1.333 5.419 -0.805 1.00 0.00 C ATOM 143 O SER A 13 2.505 5.125 -0.566 1.00 0.00 O ATOM 144 CB SER A 13 0.671 3.731 0.919 1.00 0.00 C ATOM 145 OG SER A 13 1.019 4.114 2.238 1.00 0.00 O ATOM 0 H SER A 13 -0.971 3.643 -1.057 1.00 0.00 H new ATOM 0 HA SER A 13 -0.064 5.746 0.780 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.120 2.981 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.530 3.268 0.433 1.00 0.00 H new ATOM 0 HG SER A 13 1.313 3.326 2.741 1.00 0.00 H new ATOM 151 N VAL A 14 0.972 6.162 -1.846 1.00 0.00 N ATOM 152 CA VAL A 14 1.953 6.687 -2.788 1.00 0.00 C ATOM 153 C VAL A 14 1.500 8.023 -3.365 1.00 0.00 C ATOM 154 O VAL A 14 2.269 8.983 -3.416 1.00 0.00 O ATOM 155 CB VAL A 14 2.205 5.700 -3.944 1.00 0.00 C ATOM 156 CG1 VAL A 14 3.225 6.269 -4.918 1.00 0.00 C ATOM 157 CG2 VAL A 14 2.665 4.355 -3.403 1.00 0.00 C ATOM 0 H VAL A 14 0.007 6.414 -2.058 1.00 0.00 H new ATOM 0 HA VAL A 14 2.880 6.830 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 14 1.269 5.549 -4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.391 5.558 -5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.852 7.207 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.165 6.450 -4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.839 3.669 -4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.590 4.486 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.897 3.944 -2.748 1.00 0.00 H new ATOM 167 N CYS A 15 0.245 8.079 -3.800 1.00 0.00 N ATOM 168 CA CYS A 15 -0.312 9.298 -4.375 1.00 0.00 C ATOM 169 C CYS A 15 -1.416 9.863 -3.486 1.00 0.00 C ATOM 170 O CYS A 15 -1.693 11.062 -3.508 1.00 0.00 O ATOM 171 CB CYS A 15 -0.861 9.021 -5.776 1.00 0.00 C ATOM 172 SG CYS A 15 -2.268 7.864 -5.807 1.00 0.00 S ATOM 0 H CYS A 15 -0.405 7.294 -3.765 1.00 0.00 H new ATOM 0 HA CYS A 15 0.487 10.036 -4.445 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.170 9.964 -6.227 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.060 8.619 -6.396 1.00 0.00 H new ATOM 177 N ARG A 16 -2.043 8.990 -2.704 1.00 0.00 N ATOM 178 CA ARG A 16 -3.117 9.401 -1.808 1.00 0.00 C ATOM 179 C ARG A 16 -4.304 9.946 -2.596 1.00 0.00 C ATOM 180 O ARG A 16 -4.435 11.156 -2.784 1.00 0.00 O ATOM 181 CB ARG A 16 -2.613 10.460 -0.825 1.00 0.00 C ATOM 182 CG ARG A 16 -2.352 9.920 0.571 1.00 0.00 C ATOM 183 CD ARG A 16 -1.468 10.860 1.376 1.00 0.00 C ATOM 184 NE ARG A 16 -1.751 10.787 2.807 1.00 0.00 N ATOM 185 CZ ARG A 16 -1.397 9.762 3.574 1.00 0.00 C ATOM 186 NH1 ARG A 16 -0.751 8.729 3.051 1.00 0.00 N ATOM 187 NH2 ARG A 16 -1.690 9.769 4.868 1.00 0.00 N ATOM 0 H ARG A 16 -1.826 7.994 -2.673 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.446 8.525 -1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.693 10.896 -1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.346 11.264 -0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.300 9.777 1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.876 8.942 0.501 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.421 10.612 1.201 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.616 11.883 1.029 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.247 11.565 3.241 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.524 8.720 2.057 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.481 7.944 3.643 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.187 10.562 5.274 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.418 8.982 5.457 1.00 0.00 H new ATOM 201 N LYS A 17 -5.166 9.046 -3.056 1.00 0.00 N ATOM 202 CA LYS A 17 -6.343 9.436 -3.823 1.00 0.00 C ATOM 203 C LYS A 17 -7.542 8.565 -3.460 1.00 0.00 C ATOM 204 O LYS A 17 -7.436 7.660 -2.632 1.00 0.00 O ATOM 205 CB LYS A 17 -6.058 9.330 -5.323 1.00 0.00 C ATOM 206 CG LYS A 17 -5.235 10.484 -5.869 1.00 0.00 C ATOM 207 CD LYS A 17 -5.322 10.563 -7.384 1.00 0.00 C ATOM 208 CE LYS A 17 -5.608 11.981 -7.852 1.00 0.00 C ATOM 209 NZ LYS A 17 -5.283 12.165 -9.294 1.00 0.00 N ATOM 0 H LYS A 17 -5.072 8.041 -2.911 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.580 10.471 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.533 8.395 -5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.004 9.283 -5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.586 11.420 -5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.194 10.364 -5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.386 10.216 -7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.107 9.896 -7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.660 12.214 -7.684 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.027 12.684 -7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.492 13.144 -9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.274 11.968 -9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.856 11.512 -9.865 1.00 0.00 H new ATOM 223 N SER A 18 -8.681 8.843 -4.087 1.00 0.00 N ATOM 224 CA SER A 18 -9.900 8.087 -3.828 1.00 0.00 C ATOM 225 C SER A 18 -10.184 7.108 -4.964 1.00 0.00 C ATOM 226 O SER A 18 -9.816 7.350 -6.112 1.00 0.00 O ATOM 227 CB SER A 18 -11.087 9.036 -3.648 1.00 0.00 C ATOM 228 OG SER A 18 -11.636 9.408 -4.901 1.00 0.00 O ATOM 0 H SER A 18 -8.784 9.586 -4.778 1.00 0.00 H new ATOM 0 HA SER A 18 -9.757 7.519 -2.909 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.853 8.554 -3.040 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.766 9.927 -3.109 1.00 0.00 H new ATOM 0 HG SER A 18 -12.394 10.013 -4.759 1.00 0.00 H new ATOM 234 N GLY A 19 -10.843 6.002 -4.633 1.00 0.00 N ATOM 235 CA GLY A 19 -11.166 5.003 -5.635 1.00 0.00 C ATOM 236 C GLY A 19 -10.915 3.590 -5.147 1.00 0.00 C ATOM 237 O GLY A 19 -10.970 3.323 -3.947 1.00 0.00 O ATOM 0 H GLY A 19 -11.159 5.780 -3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.213 5.105 -5.921 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.572 5.186 -6.530 1.00 0.00 H new ATOM 241 N GLN A 20 -10.642 2.683 -6.079 1.00 0.00 N ATOM 242 CA GLN A 20 -10.385 1.289 -5.736 1.00 0.00 C ATOM 243 C GLN A 20 -8.923 1.083 -5.354 1.00 0.00 C ATOM 244 O GLN A 20 -8.018 1.530 -6.059 1.00 0.00 O ATOM 245 CB GLN A 20 -10.752 0.378 -6.909 1.00 0.00 C ATOM 246 CG GLN A 20 -12.039 -0.403 -6.693 1.00 0.00 C ATOM 247 CD GLN A 20 -12.971 -0.332 -7.886 1.00 0.00 C ATOM 248 OE1 GLN A 20 -12.588 -0.664 -9.009 1.00 0.00 O ATOM 249 NE2 GLN A 20 -14.204 0.102 -7.650 1.00 0.00 N ATOM 0 H GLN A 20 -10.593 2.888 -7.077 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.005 1.032 -4.877 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.850 0.982 -7.811 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.936 -0.323 -7.083 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.797 -1.446 -6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.552 -0.015 -5.813 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.479 0.367 -6.704 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.876 0.171 -8.415 1.00 0.00 H new ATOM 258 N LEU A 21 -8.700 0.403 -4.235 1.00 0.00 N ATOM 259 CA LEU A 21 -7.347 0.137 -3.758 1.00 0.00 C ATOM 260 C LEU A 21 -7.164 -1.342 -3.436 1.00 0.00 C ATOM 261 O LEU A 21 -8.115 -2.028 -3.057 1.00 0.00 O ATOM 262 CB LEU A 21 -7.046 0.982 -2.519 1.00 0.00 C ATOM 263 CG LEU A 21 -6.265 2.274 -2.761 1.00 0.00 C ATOM 264 CD1 LEU A 21 -6.686 3.346 -1.767 1.00 0.00 C ATOM 265 CD2 LEU A 21 -4.768 2.017 -2.669 1.00 0.00 C ATOM 0 H LEU A 21 -9.438 0.026 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.649 0.406 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.991 1.237 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.485 0.369 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.491 2.630 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.120 4.258 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.751 3.550 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.490 2.999 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.228 2.947 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.524 1.637 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.478 1.282 -3.420 1.00 0.00 H new ATOM 277 N LEU A 22 -5.937 -1.828 -3.586 1.00 0.00 N ATOM 278 CA LEU A 22 -5.628 -3.226 -3.309 1.00 0.00 C ATOM 279 C LEU A 22 -5.343 -3.437 -1.825 1.00 0.00 C ATOM 280 O LEU A 22 -4.905 -2.520 -1.131 1.00 0.00 O ATOM 281 CB LEU A 22 -4.426 -3.678 -4.140 1.00 0.00 C ATOM 282 CG LEU A 22 -4.362 -5.170 -4.472 1.00 0.00 C ATOM 283 CD1 LEU A 22 -5.567 -5.583 -5.303 1.00 0.00 C ATOM 284 CD2 LEU A 22 -3.069 -5.498 -5.203 1.00 0.00 C ATOM 0 H LEU A 22 -5.139 -1.274 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.497 -3.825 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.425 -3.118 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.516 -3.406 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.380 -5.733 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.505 -6.647 -5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.481 -5.384 -4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.580 -5.014 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.040 -6.563 -5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.020 -4.927 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.219 -5.239 -4.572 1.00 0.00 H new ATOM 296 N MET A 23 -5.592 -4.651 -1.346 1.00 0.00 N ATOM 297 CA MET A 23 -5.359 -4.983 0.054 1.00 0.00 C ATOM 298 C MET A 23 -4.281 -6.054 0.187 1.00 0.00 C ATOM 299 O MET A 23 -4.194 -6.967 -0.636 1.00 0.00 O ATOM 300 CB MET A 23 -6.655 -5.463 0.710 1.00 0.00 C ATOM 301 CG MET A 23 -7.747 -4.406 0.743 1.00 0.00 C ATOM 302 SD MET A 23 -8.791 -4.531 2.208 1.00 0.00 S ATOM 303 CE MET A 23 -8.204 -3.133 3.162 1.00 0.00 C ATOM 0 H MET A 23 -5.955 -5.421 -1.907 1.00 0.00 H new ATOM 0 HA MET A 23 -5.016 -4.082 0.562 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.023 -6.337 0.172 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.440 -5.783 1.729 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.291 -3.417 0.710 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.366 -4.501 -0.149 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.931 -2.890 3.937 1.00 0.00 H new ATOM 0 HE2 MET A 23 -7.250 -3.384 3.626 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.073 -2.273 2.505 1.00 0.00 H new ATOM 313 N CYS A 24 -3.462 -5.938 1.227 1.00 0.00 N ATOM 314 CA CYS A 24 -2.390 -6.896 1.467 1.00 0.00 C ATOM 315 C CYS A 24 -2.867 -8.033 2.366 1.00 0.00 C ATOM 316 O CYS A 24 -3.676 -7.825 3.271 1.00 0.00 O ATOM 317 CB CYS A 24 -1.187 -6.197 2.104 1.00 0.00 C ATOM 318 SG CYS A 24 0.230 -7.298 2.421 1.00 0.00 S ATOM 0 H CYS A 24 -3.521 -5.189 1.917 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.091 -7.317 0.507 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.864 -5.386 1.452 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.500 -5.744 3.045 1.00 0.00 H new ATOM 323 N ASP A 25 -2.360 -9.234 2.111 1.00 0.00 N ATOM 324 CA ASP A 25 -2.733 -10.404 2.897 1.00 0.00 C ATOM 325 C ASP A 25 -1.713 -10.663 4.003 1.00 0.00 C ATOM 326 O ASP A 25 -1.307 -11.802 4.234 1.00 0.00 O ATOM 327 CB ASP A 25 -2.850 -11.634 1.997 1.00 0.00 C ATOM 328 CG ASP A 25 -3.954 -12.574 2.440 1.00 0.00 C ATOM 329 OD1 ASP A 25 -4.044 -12.852 3.654 1.00 0.00 O ATOM 330 OD2 ASP A 25 -4.729 -13.030 1.573 1.00 0.00 O ATOM 0 H ASP A 25 -1.689 -9.423 1.366 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.701 -10.208 3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.039 -11.314 0.972 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.901 -12.170 1.994 1.00 0.00 H new ATOM 335 N THR A 26 -1.303 -9.597 4.683 1.00 0.00 N ATOM 336 CA THR A 26 -0.330 -9.708 5.763 1.00 0.00 C ATOM 337 C THR A 26 -0.363 -8.477 6.662 1.00 0.00 C ATOM 338 O THR A 26 -0.740 -8.560 7.831 1.00 0.00 O ATOM 339 CB THR A 26 1.098 -9.891 5.215 1.00 0.00 C ATOM 340 OG1 THR A 26 1.069 -9.962 3.785 1.00 0.00 O ATOM 341 CG2 THR A 26 1.736 -11.153 5.777 1.00 0.00 C ATOM 0 H THR A 26 -1.629 -8.647 4.505 1.00 0.00 H new ATOM 0 HA THR A 26 -0.604 -10.587 6.346 1.00 0.00 H new ATOM 0 HB THR A 26 1.694 -9.032 5.524 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.875 -9.075 3.417 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.744 -11.261 5.376 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.784 -11.084 6.864 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.138 -12.020 5.495 1.00 0.00 H new ATOM 349 N CYS A 27 0.033 -7.336 6.109 1.00 0.00 N ATOM 350 CA CYS A 27 0.049 -6.086 6.860 1.00 0.00 C ATOM 351 C CYS A 27 -1.273 -5.339 6.701 1.00 0.00 C ATOM 352 O CYS A 27 -2.239 -5.875 6.158 1.00 0.00 O ATOM 353 CB CYS A 27 1.207 -5.202 6.395 1.00 0.00 C ATOM 354 SG CYS A 27 1.002 -4.532 4.714 1.00 0.00 S ATOM 0 H CYS A 27 0.348 -7.251 5.142 1.00 0.00 H new ATOM 0 HA CYS A 27 0.186 -6.326 7.914 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.321 -4.373 7.094 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.130 -5.780 6.434 1.00 0.00 H new ATOM 359 N SER A 28 -1.306 -4.099 7.177 1.00 0.00 N ATOM 360 CA SER A 28 -2.508 -3.279 7.091 1.00 0.00 C ATOM 361 C SER A 28 -2.253 -2.026 6.258 1.00 0.00 C ATOM 362 O SER A 28 -2.429 -0.905 6.735 1.00 0.00 O ATOM 363 CB SER A 28 -2.985 -2.887 8.490 1.00 0.00 C ATOM 364 OG SER A 28 -3.708 -3.943 9.098 1.00 0.00 O ATOM 0 H SER A 28 -0.514 -3.640 7.626 1.00 0.00 H new ATOM 0 HA SER A 28 -3.285 -3.867 6.602 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.127 -2.626 9.110 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.615 -2.000 8.427 1.00 0.00 H new ATOM 0 HG SER A 28 -4.000 -3.667 9.992 1.00 0.00 H new ATOM 370 N ARG A 29 -1.837 -2.226 5.012 1.00 0.00 N ATOM 371 CA ARG A 29 -1.556 -1.113 4.113 1.00 0.00 C ATOM 372 C ARG A 29 -2.177 -1.354 2.740 1.00 0.00 C ATOM 373 O ARG A 29 -2.193 -2.480 2.242 1.00 0.00 O ATOM 374 CB ARG A 29 -0.046 -0.912 3.973 1.00 0.00 C ATOM 375 CG ARG A 29 0.649 -0.590 5.285 1.00 0.00 C ATOM 376 CD ARG A 29 2.138 -0.889 5.215 1.00 0.00 C ATOM 377 NE ARG A 29 2.918 0.294 4.857 1.00 0.00 N ATOM 378 CZ ARG A 29 4.219 0.416 5.096 1.00 0.00 C ATOM 379 NH1 ARG A 29 4.883 -0.567 5.688 1.00 0.00 N ATOM 380 NH2 ARG A 29 4.858 1.523 4.740 1.00 0.00 N ATOM 0 H ARG A 29 -1.687 -3.148 4.602 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.998 -0.213 4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.395 -1.815 3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.141 -0.105 3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.499 0.462 5.529 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.198 -1.171 6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.477 -1.269 6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.316 -1.676 4.482 1.00 0.00 H new ATOM 0 HE ARG A 29 2.437 1.068 4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.395 -1.420 5.961 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.882 -0.470 5.870 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.350 2.280 4.283 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.857 1.617 4.924 1.00 0.00 H new ATOM 394 N VAL A 30 -2.689 -0.288 2.133 1.00 0.00 N ATOM 395 CA VAL A 30 -3.311 -0.382 0.817 1.00 0.00 C ATOM 396 C VAL A 30 -2.439 0.267 -0.251 1.00 0.00 C ATOM 397 O VAL A 30 -1.731 1.239 0.016 1.00 0.00 O ATOM 398 CB VAL A 30 -4.700 0.284 0.804 1.00 0.00 C ATOM 399 CG1 VAL A 30 -5.648 -0.440 1.748 1.00 0.00 C ATOM 400 CG2 VAL A 30 -4.589 1.755 1.172 1.00 0.00 C ATOM 0 H VAL A 30 -2.685 0.651 2.531 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.423 -1.443 0.595 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.107 0.215 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.624 0.044 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.751 -1.479 1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.249 -0.405 2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.580 2.209 1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.161 1.849 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.947 2.263 0.452 1.00 0.00 H new ATOM 410 N TYR A 31 -2.494 -0.277 -1.462 1.00 0.00 N ATOM 411 CA TYR A 31 -1.706 0.248 -2.572 1.00 0.00 C ATOM 412 C TYR A 31 -2.455 0.093 -3.892 1.00 0.00 C ATOM 413 O TYR A 31 -3.018 -0.964 -4.180 1.00 0.00 O ATOM 414 CB TYR A 31 -0.357 -0.468 -2.651 1.00 0.00 C ATOM 415 CG TYR A 31 0.419 -0.443 -1.353 1.00 0.00 C ATOM 416 CD1 TYR A 31 1.199 0.654 -1.009 1.00 0.00 C ATOM 417 CD2 TYR A 31 0.373 -1.516 -0.472 1.00 0.00 C ATOM 418 CE1 TYR A 31 1.911 0.682 0.175 1.00 0.00 C ATOM 419 CE2 TYR A 31 1.080 -1.496 0.715 1.00 0.00 C ATOM 420 CZ TYR A 31 1.847 -0.395 1.033 1.00 0.00 C ATOM 421 OH TYR A 31 2.554 -0.372 2.214 1.00 0.00 O ATOM 0 H TYR A 31 -3.075 -1.081 -1.700 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.536 1.310 -2.394 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.522 -1.504 -2.946 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.245 -0.006 -3.433 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.250 1.500 -1.679 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.225 -2.380 -0.719 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.514 1.542 0.427 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.032 -2.338 1.390 1.00 0.00 H new ATOM 0 HH TYR A 31 3.044 0.474 2.286 1.00 0.00 H new ATOM 431 N HIS A 32 -2.457 1.155 -4.692 1.00 0.00 N ATOM 432 CA HIS A 32 -3.135 1.138 -5.983 1.00 0.00 C ATOM 433 C HIS A 32 -2.598 0.014 -6.864 1.00 0.00 C ATOM 434 O HIS A 32 -1.708 -0.735 -6.459 1.00 0.00 O ATOM 435 CB HIS A 32 -2.963 2.483 -6.690 1.00 0.00 C ATOM 436 CG HIS A 32 -4.038 3.473 -6.364 1.00 0.00 C ATOM 437 ND1 HIS A 32 -3.842 4.838 -6.407 1.00 0.00 N ATOM 438 CD2 HIS A 32 -5.325 3.291 -5.990 1.00 0.00 C ATOM 439 CE1 HIS A 32 -4.963 5.451 -6.072 1.00 0.00 C ATOM 440 NE2 HIS A 32 -5.879 4.535 -5.814 1.00 0.00 N ATOM 0 H HIS A 32 -1.997 2.038 -4.469 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.196 0.962 -5.807 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.996 2.906 -6.418 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -2.947 2.318 -7.767 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.824 2.343 -5.855 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.106 6.520 -6.018 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.841 4.721 -5.530 1.00 0.00 H new ATOM 448 N LEU A 33 -3.146 -0.099 -8.069 1.00 0.00 N ATOM 449 CA LEU A 33 -2.723 -1.133 -9.007 1.00 0.00 C ATOM 450 C LEU A 33 -1.590 -0.630 -9.897 1.00 0.00 C ATOM 451 O LEU A 33 -0.789 -1.417 -10.403 1.00 0.00 O ATOM 452 CB LEU A 33 -3.904 -1.580 -9.870 1.00 0.00 C ATOM 453 CG LEU A 33 -4.752 -2.722 -9.308 1.00 0.00 C ATOM 454 CD1 LEU A 33 -5.971 -2.962 -10.184 1.00 0.00 C ATOM 455 CD2 LEU A 33 -3.922 -3.991 -9.185 1.00 0.00 C ATOM 0 H LEU A 33 -3.884 0.512 -8.419 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.358 -1.984 -8.432 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.553 -0.720 -10.036 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.522 -1.884 -10.845 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.096 -2.439 -8.313 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.562 -3.778 -9.769 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.577 -2.057 -10.220 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.649 -3.224 -11.192 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.541 -4.793 -8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.548 -4.278 -10.168 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.081 -3.812 -8.515 1.00 0.00 H new ATOM 467 N ASP A 34 -1.528 0.684 -10.081 1.00 0.00 N ATOM 468 CA ASP A 34 -0.491 1.292 -10.906 1.00 0.00 C ATOM 469 C ASP A 34 0.615 1.886 -10.039 1.00 0.00 C ATOM 470 O ASP A 34 1.741 2.082 -10.498 1.00 0.00 O ATOM 471 CB ASP A 34 -1.092 2.376 -11.802 1.00 0.00 C ATOM 472 CG ASP A 34 -1.819 1.799 -13.001 1.00 0.00 C ATOM 473 OD1 ASP A 34 -1.532 0.641 -13.367 1.00 0.00 O ATOM 474 OD2 ASP A 34 -2.674 2.507 -13.574 1.00 0.00 O ATOM 0 H ASP A 34 -2.184 1.349 -9.670 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.057 0.513 -11.533 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.784 2.983 -11.219 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.299 3.040 -12.146 1.00 0.00 H new ATOM 479 N CYS A 35 0.286 2.173 -8.784 1.00 0.00 N ATOM 480 CA CYS A 35 1.249 2.747 -7.853 1.00 0.00 C ATOM 481 C CYS A 35 1.901 1.658 -7.005 1.00 0.00 C ATOM 482 O CYS A 35 1.846 1.697 -5.775 1.00 0.00 O ATOM 483 CB CYS A 35 0.566 3.773 -6.947 1.00 0.00 C ATOM 484 SG CYS A 35 -0.493 4.960 -7.835 1.00 0.00 S ATOM 0 H CYS A 35 -0.641 2.017 -8.388 1.00 0.00 H new ATOM 0 HA CYS A 35 2.025 3.245 -8.434 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.038 3.245 -6.209 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.330 4.324 -6.399 1.00 0.00 H new ATOM 489 N LEU A 36 2.518 0.688 -7.670 1.00 0.00 N ATOM 490 CA LEU A 36 3.181 -0.412 -6.979 1.00 0.00 C ATOM 491 C LEU A 36 4.663 -0.466 -7.335 1.00 0.00 C ATOM 492 O LEU A 36 5.159 0.367 -8.094 1.00 0.00 O ATOM 493 CB LEU A 36 2.511 -1.741 -7.333 1.00 0.00 C ATOM 494 CG LEU A 36 1.203 -2.049 -6.604 1.00 0.00 C ATOM 495 CD1 LEU A 36 0.539 -3.282 -7.197 1.00 0.00 C ATOM 496 CD2 LEU A 36 1.454 -2.240 -5.115 1.00 0.00 C ATOM 0 H LEU A 36 2.573 0.641 -8.687 1.00 0.00 H new ATOM 0 HA LEU A 36 3.091 -0.241 -5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.317 -1.753 -8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.216 -2.546 -7.128 1.00 0.00 H new ATOM 0 HG LEU A 36 0.530 -1.202 -6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.391 -3.486 -6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.323 -3.108 -8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.208 -4.137 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.512 -2.458 -4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.146 -3.069 -4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.885 -1.329 -4.699 1.00 0.00 H new ATOM 508 N ASP A 37 5.363 -1.451 -6.785 1.00 0.00 N ATOM 509 CA ASP A 37 6.788 -1.615 -7.048 1.00 0.00 C ATOM 510 C ASP A 37 7.189 -3.085 -6.973 1.00 0.00 C ATOM 511 O ASP A 37 7.446 -3.630 -5.899 1.00 0.00 O ATOM 512 CB ASP A 37 7.610 -0.798 -6.050 1.00 0.00 C ATOM 513 CG ASP A 37 8.565 0.160 -6.733 1.00 0.00 C ATOM 514 OD1 ASP A 37 9.516 -0.315 -7.389 1.00 0.00 O ATOM 515 OD2 ASP A 37 8.361 1.386 -6.614 1.00 0.00 O ATOM 0 H ASP A 37 4.967 -2.148 -6.154 1.00 0.00 H new ATOM 0 HA ASP A 37 6.990 -1.253 -8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.936 -0.235 -5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.175 -1.475 -5.409 1.00 0.00 H new ATOM 520 N PRO A 38 7.243 -3.745 -8.140 1.00 0.00 N ATOM 521 CA PRO A 38 6.938 -3.107 -9.424 1.00 0.00 C ATOM 522 C PRO A 38 5.458 -2.773 -9.569 1.00 0.00 C ATOM 523 O PRO A 38 4.617 -3.214 -8.785 1.00 0.00 O ATOM 524 CB PRO A 38 7.351 -4.164 -10.451 1.00 0.00 C ATOM 525 CG PRO A 38 7.245 -5.460 -9.725 1.00 0.00 C ATOM 526 CD PRO A 38 7.604 -5.164 -8.295 1.00 0.00 C ATOM 0 HA PRO A 38 7.456 -2.155 -9.539 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.698 -4.145 -11.323 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.366 -3.993 -10.809 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.236 -5.867 -9.798 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.920 -6.202 -10.151 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.050 -5.798 -7.602 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.664 -5.332 -8.103 1.00 0.00 H new ATOM 534 N PRO A 39 5.128 -1.975 -10.595 1.00 0.00 N ATOM 535 CA PRO A 39 3.747 -1.565 -10.868 1.00 0.00 C ATOM 536 C PRO A 39 2.886 -2.722 -11.363 1.00 0.00 C ATOM 537 O PRO A 39 3.402 -3.745 -11.814 1.00 0.00 O ATOM 538 CB PRO A 39 3.901 -0.506 -11.962 1.00 0.00 C ATOM 539 CG PRO A 39 5.185 -0.843 -12.638 1.00 0.00 C ATOM 540 CD PRO A 39 6.078 -1.412 -11.570 1.00 0.00 C ATOM 0 HA PRO A 39 3.245 -1.201 -9.972 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.066 -0.535 -12.662 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.928 0.498 -11.540 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.026 -1.565 -13.439 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.632 0.042 -13.090 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.745 -2.176 -11.969 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.707 -0.644 -11.121 1.00 0.00 H new ATOM 548 N LEU A 40 1.571 -2.554 -11.275 1.00 0.00 N ATOM 549 CA LEU A 40 0.637 -3.584 -11.716 1.00 0.00 C ATOM 550 C LEU A 40 -0.402 -3.006 -12.671 1.00 0.00 C ATOM 551 O LEU A 40 -0.402 -1.807 -12.953 1.00 0.00 O ATOM 552 CB LEU A 40 -0.059 -4.218 -10.510 1.00 0.00 C ATOM 553 CG LEU A 40 0.577 -5.498 -9.964 1.00 0.00 C ATOM 554 CD1 LEU A 40 -0.180 -5.990 -8.740 1.00 0.00 C ATOM 555 CD2 LEU A 40 0.614 -6.574 -11.039 1.00 0.00 C ATOM 0 H LEU A 40 1.128 -1.714 -10.902 1.00 0.00 H new ATOM 0 HA LEU A 40 1.203 -4.350 -12.246 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.093 -3.482 -9.707 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.091 -4.437 -10.785 1.00 0.00 H new ATOM 0 HG LEU A 40 1.601 -5.274 -9.666 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.287 -6.901 -8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.155 -5.224 -7.965 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.215 -6.198 -9.011 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.069 -7.478 -10.634 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.402 -6.795 -11.367 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.201 -6.221 -11.887 1.00 0.00 H new ATOM 567 N LYS A 41 -1.289 -3.864 -13.163 1.00 0.00 N ATOM 568 CA LYS A 41 -2.336 -3.439 -14.084 1.00 0.00 C ATOM 569 C LYS A 41 -3.666 -4.101 -13.737 1.00 0.00 C ATOM 570 O LYS A 41 -4.588 -3.449 -13.246 1.00 0.00 O ATOM 571 CB LYS A 41 -1.946 -3.777 -15.524 1.00 0.00 C ATOM 572 CG LYS A 41 -2.951 -3.295 -16.556 1.00 0.00 C ATOM 573 CD LYS A 41 -2.735 -3.966 -17.902 1.00 0.00 C ATOM 574 CE LYS A 41 -2.854 -2.972 -19.046 1.00 0.00 C ATOM 575 NZ LYS A 41 -3.179 -3.645 -20.334 1.00 0.00 N ATOM 0 H LYS A 41 -1.304 -4.859 -12.939 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.452 -2.359 -13.990 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.974 -3.334 -15.742 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.832 -4.857 -15.617 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.962 -3.501 -16.204 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.867 -2.214 -16.670 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.749 -4.431 -17.924 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.467 -4.763 -18.034 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.628 -2.241 -18.813 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.918 -2.423 -19.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.252 -2.933 -21.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.428 -4.325 -20.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.085 -4.148 -20.244 1.00 0.00 H new ATOM 589 N THR A 42 -3.760 -5.402 -13.996 1.00 0.00 N ATOM 590 CA THR A 42 -4.976 -6.153 -13.711 1.00 0.00 C ATOM 591 C THR A 42 -4.911 -6.804 -12.335 1.00 0.00 C ATOM 592 O THR A 42 -3.991 -6.545 -11.558 1.00 0.00 O ATOM 593 CB THR A 42 -5.225 -7.242 -14.771 1.00 0.00 C ATOM 594 OG1 THR A 42 -4.265 -8.295 -14.626 1.00 0.00 O ATOM 595 CG2 THR A 42 -5.140 -6.661 -16.174 1.00 0.00 C ATOM 0 H THR A 42 -3.007 -5.957 -14.403 1.00 0.00 H new ATOM 0 HA THR A 42 -5.800 -5.440 -13.733 1.00 0.00 H new ATOM 0 HB THR A 42 -6.228 -7.642 -14.621 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.431 -8.984 -15.302 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.319 -7.449 -16.906 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.891 -5.880 -16.290 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.148 -6.237 -16.333 1.00 0.00 H new ATOM 603 N ILE A 43 -5.891 -7.652 -12.039 1.00 0.00 N ATOM 604 CA ILE A 43 -5.943 -8.342 -10.756 1.00 0.00 C ATOM 605 C ILE A 43 -4.863 -9.415 -10.665 1.00 0.00 C ATOM 606 O ILE A 43 -4.881 -10.411 -11.387 1.00 0.00 O ATOM 607 CB ILE A 43 -7.318 -8.993 -10.523 1.00 0.00 C ATOM 608 CG1 ILE A 43 -8.423 -7.935 -10.571 1.00 0.00 C ATOM 609 CG2 ILE A 43 -7.338 -9.726 -9.190 1.00 0.00 C ATOM 610 CD1 ILE A 43 -9.630 -8.357 -11.379 1.00 0.00 C ATOM 0 H ILE A 43 -6.660 -7.877 -12.671 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.771 -7.590 -9.986 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.499 -9.717 -11.317 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.739 -7.706 -9.553 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.017 -7.016 -10.993 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.317 -10.181 -9.040 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.573 -10.503 -9.190 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.138 -9.020 -8.384 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -10.372 -7.558 -11.369 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.328 -8.558 -12.407 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.062 -9.259 -10.944 1.00 0.00 H new ATOM 622 N PRO A 44 -3.899 -9.209 -9.755 1.00 0.00 N ATOM 623 CA PRO A 44 -2.794 -10.149 -9.546 1.00 0.00 C ATOM 624 C PRO A 44 -3.256 -11.453 -8.905 1.00 0.00 C ATOM 625 O PRO A 44 -3.334 -11.562 -7.681 1.00 0.00 O ATOM 626 CB PRO A 44 -1.858 -9.391 -8.601 1.00 0.00 C ATOM 627 CG PRO A 44 -2.742 -8.432 -7.881 1.00 0.00 C ATOM 628 CD PRO A 44 -3.815 -8.042 -8.860 1.00 0.00 C ATOM 0 HA PRO A 44 -2.326 -10.444 -10.485 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.362 -10.069 -7.907 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.075 -8.870 -9.153 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.174 -8.891 -6.992 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.181 -7.559 -7.548 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.764 -7.849 -8.360 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.552 -7.135 -9.405 1.00 0.00 H new ATOM 636 N LYS A 45 -3.561 -12.441 -9.740 1.00 0.00 N ATOM 637 CA LYS A 45 -4.014 -13.740 -9.256 1.00 0.00 C ATOM 638 C LYS A 45 -3.044 -14.303 -8.222 1.00 0.00 C ATOM 639 O LYS A 45 -1.870 -13.936 -8.193 1.00 0.00 O ATOM 640 CB LYS A 45 -4.159 -14.720 -10.422 1.00 0.00 C ATOM 641 CG LYS A 45 -5.599 -15.088 -10.731 1.00 0.00 C ATOM 642 CD LYS A 45 -5.872 -15.066 -12.226 1.00 0.00 C ATOM 643 CE LYS A 45 -7.155 -15.807 -12.569 1.00 0.00 C ATOM 644 NZ LYS A 45 -7.472 -15.725 -14.022 1.00 0.00 N ATOM 0 H LYS A 45 -3.503 -12.367 -10.756 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.986 -13.604 -8.781 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.706 -14.283 -11.312 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.602 -15.628 -10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.815 -16.081 -10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.270 -14.392 -10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.944 -14.034 -12.569 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.035 -15.520 -12.757 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.060 -16.853 -12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.981 -15.389 -11.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.353 -16.242 -14.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.588 -14.729 -14.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.696 -16.147 -14.571 1.00 0.00 H new ATOM 658 N GLY A 46 -3.543 -15.199 -7.375 1.00 0.00 N ATOM 659 CA GLY A 46 -2.707 -15.799 -6.352 1.00 0.00 C ATOM 660 C GLY A 46 -2.475 -14.873 -5.175 1.00 0.00 C ATOM 661 O GLY A 46 -2.646 -13.659 -5.289 1.00 0.00 O ATOM 0 H GLY A 46 -4.511 -15.520 -7.379 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.173 -16.719 -6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.747 -16.075 -6.788 1.00 0.00 H new ATOM 665 N MET A 47 -2.085 -15.446 -4.041 1.00 0.00 N ATOM 666 CA MET A 47 -1.829 -14.662 -2.838 1.00 0.00 C ATOM 667 C MET A 47 -0.868 -13.515 -3.131 1.00 0.00 C ATOM 668 O MET A 47 0.337 -13.723 -3.272 1.00 0.00 O ATOM 669 CB MET A 47 -1.257 -15.554 -1.735 1.00 0.00 C ATOM 670 CG MET A 47 -1.032 -14.825 -0.420 1.00 0.00 C ATOM 671 SD MET A 47 -0.180 -15.842 0.801 1.00 0.00 S ATOM 672 CE MET A 47 0.043 -14.661 2.129 1.00 0.00 C ATOM 0 H MET A 47 -1.939 -16.449 -3.930 1.00 0.00 H new ATOM 0 HA MET A 47 -2.776 -14.241 -2.500 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.936 -16.390 -1.566 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.311 -15.976 -2.074 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.450 -13.922 -0.605 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.993 -14.508 -0.016 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.966 -14.885 2.664 1.00 0.00 H new ATOM 0 HE2 MET A 47 0.098 -13.654 1.715 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.799 -14.725 2.818 1.00 0.00 H new ATOM 682 N TRP A 48 -1.408 -12.305 -3.221 1.00 0.00 N ATOM 683 CA TRP A 48 -0.597 -11.124 -3.498 1.00 0.00 C ATOM 684 C TRP A 48 -0.121 -10.475 -2.203 1.00 0.00 C ATOM 685 O TRP A 48 -0.846 -10.451 -1.207 1.00 0.00 O ATOM 686 CB TRP A 48 -1.394 -10.115 -4.326 1.00 0.00 C ATOM 687 CG TRP A 48 -0.588 -8.923 -4.745 1.00 0.00 C ATOM 688 CD1 TRP A 48 0.201 -8.816 -5.854 1.00 0.00 C ATOM 689 CD2 TRP A 48 -0.492 -7.669 -4.059 1.00 0.00 C ATOM 690 NE1 TRP A 48 0.782 -7.571 -5.899 1.00 0.00 N ATOM 691 CE2 TRP A 48 0.372 -6.849 -4.810 1.00 0.00 C ATOM 692 CE3 TRP A 48 -1.054 -7.160 -2.885 1.00 0.00 C ATOM 693 CZ2 TRP A 48 0.687 -5.549 -4.423 1.00 0.00 C ATOM 694 CZ3 TRP A 48 -0.740 -5.870 -2.502 1.00 0.00 C ATOM 695 CH2 TRP A 48 0.123 -5.076 -3.269 1.00 0.00 C ATOM 0 H TRP A 48 -2.404 -12.115 -3.106 1.00 0.00 H new ATOM 0 HA TRP A 48 0.277 -11.440 -4.067 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.784 -10.612 -5.214 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.253 -9.778 -3.746 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.347 -9.595 -6.588 1.00 0.00 H new ATOM 0 HE1 TRP A 48 1.416 -7.239 -6.626 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.721 -7.764 -2.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 1.353 -4.936 -5.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.167 -5.467 -1.596 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.348 -4.071 -2.943 1.00 0.00 H new ATOM 706 N ILE A 49 1.100 -9.951 -2.222 1.00 0.00 N ATOM 707 CA ILE A 49 1.670 -9.300 -1.049 1.00 0.00 C ATOM 708 C ILE A 49 2.403 -8.020 -1.433 1.00 0.00 C ATOM 709 O ILE A 49 3.264 -8.023 -2.314 1.00 0.00 O ATOM 710 CB ILE A 49 2.645 -10.234 -0.306 1.00 0.00 C ATOM 711 CG1 ILE A 49 1.955 -11.555 0.040 1.00 0.00 C ATOM 712 CG2 ILE A 49 3.170 -9.558 0.951 1.00 0.00 C ATOM 713 CD1 ILE A 49 2.857 -12.537 0.756 1.00 0.00 C ATOM 0 H ILE A 49 1.713 -9.965 -3.037 1.00 0.00 H new ATOM 0 HA ILE A 49 0.839 -9.055 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 49 3.491 -10.448 -0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.086 -11.349 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.586 -12.014 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.857 -10.230 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.693 -8.641 0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.336 -9.318 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.303 -13.451 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.713 -12.772 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.206 -12.097 1.690 1.00 0.00 H new ATOM 725 N CYS A 50 2.059 -6.924 -0.764 1.00 0.00 N ATOM 726 CA CYS A 50 2.684 -5.635 -1.033 1.00 0.00 C ATOM 727 C CYS A 50 4.205 -5.747 -0.982 1.00 0.00 C ATOM 728 O CYS A 50 4.766 -6.612 -0.308 1.00 0.00 O ATOM 729 CB CYS A 50 2.204 -4.591 -0.023 1.00 0.00 C ATOM 730 SG CYS A 50 2.883 -4.812 1.654 1.00 0.00 S ATOM 0 H CYS A 50 1.350 -6.904 -0.031 1.00 0.00 H new ATOM 0 HA CYS A 50 2.394 -5.321 -2.036 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.475 -3.599 -0.385 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.116 -4.625 0.030 1.00 0.00 H new ATOM 735 N PRO A 51 4.889 -4.852 -1.709 1.00 0.00 N ATOM 736 CA PRO A 51 6.354 -4.829 -1.763 1.00 0.00 C ATOM 737 C PRO A 51 6.975 -4.378 -0.445 1.00 0.00 C ATOM 738 O PRO A 51 8.179 -4.522 -0.235 1.00 0.00 O ATOM 739 CB PRO A 51 6.652 -3.814 -2.869 1.00 0.00 C ATOM 740 CG PRO A 51 5.457 -2.925 -2.900 1.00 0.00 C ATOM 741 CD PRO A 51 4.285 -3.793 -2.536 1.00 0.00 C ATOM 0 HA PRO A 51 6.771 -5.819 -1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.560 -3.250 -2.654 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.803 -4.308 -3.829 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.566 -2.101 -2.195 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.324 -2.484 -3.888 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.528 -3.235 -1.985 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.798 -4.203 -3.421 1.00 0.00 H new ATOM 749 N ARG A 52 6.146 -3.833 0.438 1.00 0.00 N ATOM 750 CA ARG A 52 6.615 -3.360 1.736 1.00 0.00 C ATOM 751 C ARG A 52 6.826 -4.528 2.695 1.00 0.00 C ATOM 752 O ARG A 52 7.613 -4.436 3.638 1.00 0.00 O ATOM 753 CB ARG A 52 5.614 -2.370 2.334 1.00 0.00 C ATOM 754 CG ARG A 52 6.019 -0.915 2.158 1.00 0.00 C ATOM 755 CD ARG A 52 5.917 -0.480 0.705 1.00 0.00 C ATOM 756 NE ARG A 52 7.177 0.065 0.207 1.00 0.00 N ATOM 757 CZ ARG A 52 7.351 0.493 -1.038 1.00 0.00 C ATOM 758 NH1 ARG A 52 6.351 0.440 -1.907 1.00 0.00 N ATOM 759 NH2 ARG A 52 8.528 0.976 -1.417 1.00 0.00 N ATOM 0 H ARG A 52 5.146 -3.708 0.279 1.00 0.00 H new ATOM 0 HA ARG A 52 7.570 -2.856 1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.640 -2.526 1.870 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.498 -2.580 3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.381 -0.282 2.774 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.041 -0.776 2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.623 -1.332 0.092 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.133 0.271 0.606 1.00 0.00 H new ATOM 0 HE ARG A 52 7.966 0.120 0.851 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.445 0.070 -1.620 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.488 0.770 -2.863 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.300 1.019 -0.752 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.660 1.304 -2.374 1.00 0.00 H new ATOM 773 N CYS A 53 6.117 -5.625 2.450 1.00 0.00 N ATOM 774 CA CYS A 53 6.225 -6.810 3.291 1.00 0.00 C ATOM 775 C CYS A 53 7.387 -7.692 2.842 1.00 0.00 C ATOM 776 O CYS A 53 8.250 -8.052 3.642 1.00 0.00 O ATOM 777 CB CYS A 53 4.921 -7.609 3.253 1.00 0.00 C ATOM 778 SG CYS A 53 3.645 -7.004 4.405 1.00 0.00 S ATOM 0 H CYS A 53 5.461 -5.717 1.675 1.00 0.00 H new ATOM 0 HA CYS A 53 6.414 -6.483 4.313 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.521 -7.584 2.239 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.139 -8.652 3.484 1.00 0.00 H new ATOM 783 N GLN A 54 7.401 -8.034 1.558 1.00 0.00 N ATOM 784 CA GLN A 54 8.457 -8.873 1.003 1.00 0.00 C ATOM 785 C GLN A 54 9.834 -8.315 1.347 1.00 0.00 C ATOM 786 O GLN A 54 10.800 -9.064 1.489 1.00 0.00 O ATOM 787 CB GLN A 54 8.303 -8.986 -0.514 1.00 0.00 C ATOM 788 CG GLN A 54 7.024 -9.685 -0.946 1.00 0.00 C ATOM 789 CD GLN A 54 7.287 -11.007 -1.639 1.00 0.00 C ATOM 790 OE1 GLN A 54 8.279 -11.681 -1.360 1.00 0.00 O ATOM 791 NE2 GLN A 54 6.397 -11.387 -2.549 1.00 0.00 N ATOM 0 H GLN A 54 6.694 -7.744 0.883 1.00 0.00 H new ATOM 0 HA GLN A 54 8.368 -9.865 1.445 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.325 -7.987 -0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.158 -9.528 -0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.395 -9.856 -0.072 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.466 -9.032 -1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.589 -10.798 -2.749 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.522 -12.268 -3.047 1.00 0.00 H new ATOM 800 N ASP A 55 9.915 -6.996 1.480 1.00 0.00 N ATOM 801 CA ASP A 55 11.174 -6.336 1.807 1.00 0.00 C ATOM 802 C ASP A 55 11.345 -6.212 3.318 1.00 0.00 C ATOM 803 O ASP A 55 12.406 -6.522 3.859 1.00 0.00 O ATOM 804 CB ASP A 55 11.233 -4.952 1.159 1.00 0.00 C ATOM 805 CG ASP A 55 12.595 -4.302 1.306 1.00 0.00 C ATOM 806 OD1 ASP A 55 13.481 -4.916 1.936 1.00 0.00 O ATOM 807 OD2 ASP A 55 12.775 -3.179 0.790 1.00 0.00 O ATOM 0 H ASP A 55 9.124 -6.362 1.366 1.00 0.00 H new ATOM 0 HA ASP A 55 11.988 -6.946 1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.987 -5.039 0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.477 -4.310 1.610 1.00 0.00 H new ATOM 812 N GLN A 56 10.294 -5.756 3.992 1.00 0.00 N ATOM 813 CA GLN A 56 10.329 -5.589 5.440 1.00 0.00 C ATOM 814 C GLN A 56 9.651 -6.762 6.140 1.00 0.00 C ATOM 815 O GLN A 56 10.068 -7.903 5.944 1.00 0.00 O ATOM 816 CB GLN A 56 9.649 -4.279 5.840 1.00 0.00 C ATOM 817 CG GLN A 56 10.014 -3.806 7.239 1.00 0.00 C ATOM 818 CD GLN A 56 9.285 -4.575 8.323 1.00 0.00 C ATOM 819 OE1 GLN A 56 9.891 -5.345 9.069 1.00 0.00 O ATOM 820 NE2 GLN A 56 7.976 -4.370 8.416 1.00 0.00 N ATOM 0 H GLN A 56 9.408 -5.496 3.559 1.00 0.00 H new ATOM 0 HA GLN A 56 11.373 -5.558 5.752 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.919 -3.505 5.122 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.568 -4.407 5.779 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.089 -3.911 7.385 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.781 -2.745 7.332 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.514 -3.723 7.777 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.432 -4.860 9.127 1.00 0.00 H new TER 829 GLN A 56 HETATM 830 ZN ZN A 201 -1.946 5.702 -6.195 1.00 0.00 ZN HETATM 831 ZN ZN A 401 1.890 -6.066 3.149 1.00 0.00 ZN