USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 540 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 28 HIS HE2 : A 28 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 14 ASN : amide:sc=-0.00909 K(o=-0.067,f=-0.94) USER MOD Set 1.2: A 37 CYS SG : rot -138:sc= -0.0583 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 8:sc= 0.391 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -114:sc= -0.886 (180deg=-2.03) USER MOD Single : A 12 THR OG1 : rot -160:sc= -1.73 USER MOD Single : A 19 SER OG : rot 35:sc= 0.77 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.307) USER MOD Single : A 24 GLN : amide:sc= -0.0623 X(o=-0.062,f=-0.21) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -60:sc= 1.22 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.0698 K(o=-0.07,f=-2.2!) USER MOD Single : A 35 CYS SG : rot 93:sc= 0.03 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -1.05 X(o=-1,f=-1.1) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 134:sc= -0.0894 (180deg=-1.18) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.318 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0878 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.159 14.728 14.885 1.00 0.00 N ATOM 2 CA GLY A 1 13.714 14.051 13.681 1.00 0.00 C ATOM 3 C GLY A 1 13.016 14.986 12.713 1.00 0.00 C ATOM 4 O GLY A 1 13.490 16.094 12.459 1.00 0.00 O ATOM 0 H1 GLY A 1 14.629 14.046 15.513 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.828 15.483 14.632 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.339 15.141 15.374 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.572 13.595 13.186 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.036 13.242 13.953 1.00 0.00 H new ATOM 8 N SER A 2 11.888 14.540 12.171 1.00 0.00 N ATOM 9 CA SER A 2 11.126 15.343 11.222 1.00 0.00 C ATOM 10 C SER A 2 9.858 15.892 11.869 1.00 0.00 C ATOM 11 O SER A 2 8.849 15.195 11.971 1.00 0.00 O ATOM 12 CB SER A 2 10.764 14.509 9.991 1.00 0.00 C ATOM 13 OG SER A 2 10.264 15.329 8.949 1.00 0.00 O ATOM 0 H SER A 2 11.481 13.627 12.373 1.00 0.00 H new ATOM 0 HA SER A 2 11.748 16.183 10.913 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.644 13.969 9.642 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.017 13.762 10.261 1.00 0.00 H new ATOM 0 HG SER A 2 10.041 14.773 8.173 1.00 0.00 H new ATOM 19 N SER A 3 9.919 17.147 12.304 1.00 0.00 N ATOM 20 CA SER A 3 8.778 17.790 12.945 1.00 0.00 C ATOM 21 C SER A 3 8.813 19.299 12.729 1.00 0.00 C ATOM 22 O SER A 3 9.870 19.924 12.803 1.00 0.00 O ATOM 23 CB SER A 3 8.765 17.478 14.442 1.00 0.00 C ATOM 24 OG SER A 3 8.383 16.134 14.680 1.00 0.00 O ATOM 0 H SER A 3 10.746 17.738 12.224 1.00 0.00 H new ATOM 0 HA SER A 3 7.868 17.397 12.491 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.754 17.658 14.863 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.075 18.151 14.951 1.00 0.00 H new ATOM 0 HG SER A 3 8.330 15.653 13.828 1.00 0.00 H new ATOM 30 N GLY A 4 7.647 19.880 12.459 1.00 0.00 N ATOM 31 CA GLY A 4 7.565 21.311 12.236 1.00 0.00 C ATOM 32 C GLY A 4 6.766 21.660 10.996 1.00 0.00 C ATOM 33 O GLY A 4 7.165 22.523 10.214 1.00 0.00 O ATOM 0 H GLY A 4 6.758 19.384 12.391 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.108 21.785 13.104 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.571 21.719 12.143 1.00 0.00 H new ATOM 37 N SER A 5 5.635 20.986 10.814 1.00 0.00 N ATOM 38 CA SER A 5 4.780 21.225 9.657 1.00 0.00 C ATOM 39 C SER A 5 5.543 20.981 8.359 1.00 0.00 C ATOM 40 O SER A 5 5.403 21.732 7.393 1.00 0.00 O ATOM 41 CB SER A 5 4.239 22.656 9.683 1.00 0.00 C ATOM 42 OG SER A 5 3.588 22.933 10.911 1.00 0.00 O ATOM 0 H SER A 5 5.289 20.270 11.453 1.00 0.00 H new ATOM 0 HA SER A 5 3.944 20.527 9.703 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.058 23.360 9.535 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.542 22.800 8.858 1.00 0.00 H new ATOM 0 HG SER A 5 3.253 23.854 10.903 1.00 0.00 H new ATOM 48 N SER A 6 6.351 19.926 8.344 1.00 0.00 N ATOM 49 CA SER A 6 7.140 19.584 7.166 1.00 0.00 C ATOM 50 C SER A 6 7.564 18.119 7.203 1.00 0.00 C ATOM 51 O SER A 6 8.007 17.615 8.235 1.00 0.00 O ATOM 52 CB SER A 6 8.375 20.482 7.075 1.00 0.00 C ATOM 53 OG SER A 6 8.972 20.399 5.793 1.00 0.00 O ATOM 0 H SER A 6 6.477 19.293 9.134 1.00 0.00 H new ATOM 0 HA SER A 6 6.519 19.742 6.284 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.094 21.514 7.283 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.098 20.189 7.836 1.00 0.00 H new ATOM 0 HG SER A 6 9.758 20.983 5.760 1.00 0.00 H new ATOM 59 N GLY A 7 7.425 17.440 6.068 1.00 0.00 N ATOM 60 CA GLY A 7 7.797 16.040 5.991 1.00 0.00 C ATOM 61 C GLY A 7 7.907 15.546 4.562 1.00 0.00 C ATOM 62 O GLY A 7 8.434 16.245 3.697 1.00 0.00 O ATOM 0 H GLY A 7 7.061 17.835 5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.751 15.893 6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.058 15.441 6.523 1.00 0.00 H new ATOM 66 N MET A 8 7.410 14.339 4.315 1.00 0.00 N ATOM 67 CA MET A 8 7.455 13.753 2.980 1.00 0.00 C ATOM 68 C MET A 8 6.266 12.825 2.753 1.00 0.00 C ATOM 69 O MET A 8 5.926 12.014 3.614 1.00 0.00 O ATOM 70 CB MET A 8 8.763 12.984 2.782 1.00 0.00 C ATOM 71 CG MET A 8 9.136 12.786 1.321 1.00 0.00 C ATOM 72 SD MET A 8 10.521 11.651 1.106 1.00 0.00 S ATOM 73 CE MET A 8 9.759 10.097 1.565 1.00 0.00 C ATOM 0 H MET A 8 6.972 13.748 5.021 1.00 0.00 H new ATOM 0 HA MET A 8 7.404 14.563 2.252 1.00 0.00 H new ATOM 0 HB2 MET A 8 9.569 13.518 3.285 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.678 12.009 3.262 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.271 12.405 0.778 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.390 13.750 0.881 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.218 9.723 2.480 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.692 10.250 1.730 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.902 9.371 0.764 1.00 0.00 H new ATOM 83 N VAL A 9 5.638 12.950 1.588 1.00 0.00 N ATOM 84 CA VAL A 9 4.487 12.122 1.248 1.00 0.00 C ATOM 85 C VAL A 9 4.700 10.678 1.687 1.00 0.00 C ATOM 86 O VAL A 9 5.818 10.165 1.648 1.00 0.00 O ATOM 87 CB VAL A 9 4.203 12.150 -0.266 1.00 0.00 C ATOM 88 CG1 VAL A 9 3.029 11.245 -0.606 1.00 0.00 C ATOM 89 CG2 VAL A 9 3.942 13.575 -0.732 1.00 0.00 C ATOM 0 H VAL A 9 5.907 13.616 0.864 1.00 0.00 H new ATOM 0 HA VAL A 9 3.630 12.538 1.779 1.00 0.00 H new ATOM 0 HB VAL A 9 5.082 11.776 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.843 11.278 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.260 10.222 -0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.141 11.586 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.743 13.577 -1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.079 13.979 -0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.816 14.192 -0.524 1.00 0.00 H new ATOM 99 N PHE A 10 3.620 10.027 2.105 1.00 0.00 N ATOM 100 CA PHE A 10 3.688 8.641 2.553 1.00 0.00 C ATOM 101 C PHE A 10 2.615 7.796 1.872 1.00 0.00 C ATOM 102 O PHE A 10 1.730 8.322 1.197 1.00 0.00 O ATOM 103 CB PHE A 10 3.524 8.565 4.072 1.00 0.00 C ATOM 104 CG PHE A 10 4.735 9.031 4.830 1.00 0.00 C ATOM 105 CD1 PHE A 10 5.802 8.175 5.050 1.00 0.00 C ATOM 106 CD2 PHE A 10 4.806 10.325 5.320 1.00 0.00 C ATOM 107 CE1 PHE A 10 6.917 8.602 5.748 1.00 0.00 C ATOM 108 CE2 PHE A 10 5.918 10.757 6.018 1.00 0.00 C ATOM 109 CZ PHE A 10 6.975 9.894 6.231 1.00 0.00 C ATOM 0 H PHE A 10 2.687 10.437 2.143 1.00 0.00 H new ATOM 0 HA PHE A 10 4.666 8.245 2.280 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.666 9.169 4.367 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.302 7.536 4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.763 7.164 4.673 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.983 11.004 5.155 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.742 7.925 5.915 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.960 11.768 6.396 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.846 10.229 6.775 1.00 0.00 H new ATOM 119 N PHE A 11 2.702 6.482 2.053 1.00 0.00 N ATOM 120 CA PHE A 11 1.741 5.563 1.455 1.00 0.00 C ATOM 121 C PHE A 11 1.533 4.340 2.343 1.00 0.00 C ATOM 122 O PHE A 11 2.399 3.984 3.143 1.00 0.00 O ATOM 123 CB PHE A 11 2.216 5.126 0.068 1.00 0.00 C ATOM 124 CG PHE A 11 2.447 6.271 -0.876 1.00 0.00 C ATOM 125 CD1 PHE A 11 3.621 7.004 -0.823 1.00 0.00 C ATOM 126 CD2 PHE A 11 1.488 6.616 -1.816 1.00 0.00 C ATOM 127 CE1 PHE A 11 3.837 8.059 -1.690 1.00 0.00 C ATOM 128 CE2 PHE A 11 1.698 7.669 -2.686 1.00 0.00 C ATOM 129 CZ PHE A 11 2.873 8.392 -2.622 1.00 0.00 C ATOM 0 H PHE A 11 3.428 6.030 2.609 1.00 0.00 H new ATOM 0 HA PHE A 11 0.789 6.085 1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.141 4.559 0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.476 4.453 -0.365 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.377 6.748 -0.095 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.566 6.055 -1.869 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.757 8.622 -1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.944 7.926 -3.415 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.038 9.217 -3.300 1.00 0.00 H new ATOM 139 N THR A 12 0.378 3.698 2.196 1.00 0.00 N ATOM 140 CA THR A 12 0.055 2.516 2.984 1.00 0.00 C ATOM 141 C THR A 12 -0.203 1.310 2.088 1.00 0.00 C ATOM 142 O THR A 12 -1.302 1.141 1.558 1.00 0.00 O ATOM 143 CB THR A 12 -1.181 2.754 3.873 1.00 0.00 C ATOM 144 OG1 THR A 12 -0.970 3.897 4.709 1.00 0.00 O ATOM 145 CG2 THR A 12 -1.471 1.535 4.735 1.00 0.00 C ATOM 0 H THR A 12 -0.349 3.978 1.538 1.00 0.00 H new ATOM 0 HA THR A 12 0.918 2.315 3.619 1.00 0.00 H new ATOM 0 HB THR A 12 -2.039 2.932 3.224 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.586 3.863 5.471 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.348 1.727 5.354 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.660 0.673 4.095 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.613 1.330 5.375 1.00 0.00 H new ATOM 153 N CYS A 13 0.816 0.474 1.922 1.00 0.00 N ATOM 154 CA CYS A 13 0.700 -0.717 1.089 1.00 0.00 C ATOM 155 C CYS A 13 -0.619 -1.438 1.351 1.00 0.00 C ATOM 156 O CYS A 13 -1.155 -1.390 2.457 1.00 0.00 O ATOM 157 CB CYS A 13 1.873 -1.664 1.351 1.00 0.00 C ATOM 158 SG CYS A 13 1.960 -3.076 0.203 1.00 0.00 S ATOM 0 H CYS A 13 1.732 0.599 2.353 1.00 0.00 H new ATOM 0 HA CYS A 13 0.721 -0.404 0.045 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.803 -1.099 1.287 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.800 -2.042 2.371 1.00 0.00 H new ATOM 163 N ASN A 14 -1.136 -2.107 0.325 1.00 0.00 N ATOM 164 CA ASN A 14 -2.392 -2.838 0.444 1.00 0.00 C ATOM 165 C ASN A 14 -2.138 -4.335 0.596 1.00 0.00 C ATOM 166 O ASN A 14 -3.008 -5.079 1.047 1.00 0.00 O ATOM 167 CB ASN A 14 -3.274 -2.580 -0.779 1.00 0.00 C ATOM 168 CG ASN A 14 -4.749 -2.755 -0.476 1.00 0.00 C ATOM 169 OD1 ASN A 14 -5.121 -3.263 0.583 1.00 0.00 O ATOM 170 ND2 ASN A 14 -5.598 -2.334 -1.406 1.00 0.00 N ATOM 0 H ASN A 14 -0.704 -2.158 -0.598 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.907 -2.483 1.336 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.098 -1.568 -1.143 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.987 -3.261 -1.580 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.603 -2.425 -1.258 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.245 -1.919 -2.268 1.00 0.00 H new ATOM 177 N ALA A 15 -0.940 -4.768 0.217 1.00 0.00 N ATOM 178 CA ALA A 15 -0.570 -6.174 0.314 1.00 0.00 C ATOM 179 C ALA A 15 -0.290 -6.570 1.759 1.00 0.00 C ATOM 180 O ALA A 15 -0.892 -7.507 2.285 1.00 0.00 O ATOM 181 CB ALA A 15 0.642 -6.462 -0.559 1.00 0.00 C ATOM 0 H ALA A 15 -0.209 -4.165 -0.160 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.410 -6.770 -0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.907 -7.516 -0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.407 -6.227 -1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.481 -5.850 -0.230 1.00 0.00 H new ATOM 187 N CYS A 16 0.628 -5.852 2.397 1.00 0.00 N ATOM 188 CA CYS A 16 0.990 -6.129 3.782 1.00 0.00 C ATOM 189 C CYS A 16 0.325 -5.132 4.727 1.00 0.00 C ATOM 190 O CYS A 16 -0.152 -5.501 5.799 1.00 0.00 O ATOM 191 CB CYS A 16 2.509 -6.077 3.954 1.00 0.00 C ATOM 192 SG CYS A 16 3.262 -4.500 3.439 1.00 0.00 S ATOM 0 H CYS A 16 1.135 -5.073 1.977 1.00 0.00 H new ATOM 0 HA CYS A 16 0.637 -7.130 4.031 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.752 -6.258 5.001 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.957 -6.887 3.378 1.00 0.00 H new ATOM 197 N GLY A 17 0.298 -3.867 4.321 1.00 0.00 N ATOM 198 CA GLY A 17 -0.310 -2.836 5.142 1.00 0.00 C ATOM 199 C GLY A 17 0.700 -2.121 6.017 1.00 0.00 C ATOM 200 O GLY A 17 0.383 -1.710 7.133 1.00 0.00 O ATOM 0 H GLY A 17 0.687 -3.537 3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.807 -2.110 4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.079 -3.284 5.772 1.00 0.00 H new ATOM 204 N GLU A 18 1.921 -1.974 5.511 1.00 0.00 N ATOM 205 CA GLU A 18 2.981 -1.306 6.257 1.00 0.00 C ATOM 206 C GLU A 18 3.233 0.094 5.706 1.00 0.00 C ATOM 207 O GLU A 18 3.044 0.349 4.517 1.00 0.00 O ATOM 208 CB GLU A 18 4.270 -2.128 6.201 1.00 0.00 C ATOM 209 CG GLU A 18 4.350 -3.208 7.267 1.00 0.00 C ATOM 210 CD GLU A 18 3.058 -3.989 7.405 1.00 0.00 C ATOM 211 OE1 GLU A 18 2.115 -3.470 8.037 1.00 0.00 O ATOM 212 OE2 GLU A 18 2.991 -5.120 6.880 1.00 0.00 O ATOM 0 H GLU A 18 2.200 -2.308 4.589 1.00 0.00 H new ATOM 0 HA GLU A 18 2.660 -1.217 7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.352 -2.592 5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.123 -1.458 6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.161 -3.895 7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.597 -2.750 8.225 1.00 0.00 H new ATOM 219 N SER A 19 3.661 0.999 6.581 1.00 0.00 N ATOM 220 CA SER A 19 3.936 2.376 6.185 1.00 0.00 C ATOM 221 C SER A 19 5.277 2.476 5.464 1.00 0.00 C ATOM 222 O SER A 19 6.335 2.307 6.070 1.00 0.00 O ATOM 223 CB SER A 19 3.933 3.292 7.410 1.00 0.00 C ATOM 224 OG SER A 19 4.980 2.953 8.303 1.00 0.00 O ATOM 0 H SER A 19 3.825 0.804 7.569 1.00 0.00 H new ATOM 0 HA SER A 19 3.150 2.695 5.500 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.043 4.329 7.093 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.974 3.215 7.923 1.00 0.00 H new ATOM 0 HG SER A 19 5.763 2.660 7.792 1.00 0.00 H new ATOM 230 N VAL A 20 5.224 2.753 4.165 1.00 0.00 N ATOM 231 CA VAL A 20 6.433 2.877 3.360 1.00 0.00 C ATOM 232 C VAL A 20 6.593 4.295 2.824 1.00 0.00 C ATOM 233 O VAL A 20 5.622 4.925 2.403 1.00 0.00 O ATOM 234 CB VAL A 20 6.423 1.891 2.176 1.00 0.00 C ATOM 235 CG1 VAL A 20 7.679 2.055 1.334 1.00 0.00 C ATOM 236 CG2 VAL A 20 6.289 0.461 2.676 1.00 0.00 C ATOM 0 H VAL A 20 4.357 2.896 3.648 1.00 0.00 H new ATOM 0 HA VAL A 20 7.273 2.641 4.013 1.00 0.00 H new ATOM 0 HB VAL A 20 5.561 2.114 1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.654 1.350 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.727 3.073 0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.557 1.860 1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.284 -0.222 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.130 0.223 3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.358 0.356 3.232 1.00 0.00 H new ATOM 246 N LYS A 21 7.824 4.793 2.842 1.00 0.00 N ATOM 247 CA LYS A 21 8.114 6.137 2.357 1.00 0.00 C ATOM 248 C LYS A 21 8.114 6.177 0.832 1.00 0.00 C ATOM 249 O LYS A 21 8.525 5.220 0.176 1.00 0.00 O ATOM 250 CB LYS A 21 9.467 6.614 2.890 1.00 0.00 C ATOM 251 CG LYS A 21 9.700 6.271 4.352 1.00 0.00 C ATOM 252 CD LYS A 21 10.911 6.999 4.909 1.00 0.00 C ATOM 253 CE LYS A 21 10.843 7.117 6.424 1.00 0.00 C ATOM 254 NZ LYS A 21 12.195 7.260 7.031 1.00 0.00 N ATOM 0 H LYS A 21 8.638 4.285 3.188 1.00 0.00 H new ATOM 0 HA LYS A 21 7.332 6.803 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.261 6.170 2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.538 7.694 2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.817 6.534 4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.841 5.195 4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.819 6.467 4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.973 7.994 4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.231 7.978 6.694 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.352 6.235 6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.105 7.337 8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.771 6.427 6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.654 8.116 6.658 1.00 0.00 H new ATOM 268 N LYS A 22 7.653 7.291 0.274 1.00 0.00 N ATOM 269 CA LYS A 22 7.602 7.457 -1.174 1.00 0.00 C ATOM 270 C LYS A 22 8.867 6.912 -1.829 1.00 0.00 C ATOM 271 O LYS A 22 8.801 6.205 -2.835 1.00 0.00 O ATOM 272 CB LYS A 22 7.425 8.935 -1.532 1.00 0.00 C ATOM 273 CG LYS A 22 6.984 9.164 -2.968 1.00 0.00 C ATOM 274 CD LYS A 22 6.736 10.637 -3.246 1.00 0.00 C ATOM 275 CE LYS A 22 7.994 11.330 -3.745 1.00 0.00 C ATOM 276 NZ LYS A 22 8.171 11.169 -5.214 1.00 0.00 N ATOM 0 H LYS A 22 7.309 8.093 0.803 1.00 0.00 H new ATOM 0 HA LYS A 22 6.748 6.893 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.690 9.378 -0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.367 9.457 -1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.748 8.788 -3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.074 8.597 -3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.944 10.740 -3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.386 11.126 -2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.946 12.391 -3.499 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.863 10.922 -3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.814 11.905 -5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.574 10.231 -5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.249 11.258 -5.687 1.00 0.00 H new ATOM 290 N ILE A 23 10.017 7.244 -1.252 1.00 0.00 N ATOM 291 CA ILE A 23 11.296 6.784 -1.778 1.00 0.00 C ATOM 292 C ILE A 23 11.560 5.333 -1.393 1.00 0.00 C ATOM 293 O ILE A 23 12.152 4.575 -2.162 1.00 0.00 O ATOM 294 CB ILE A 23 12.459 7.658 -1.273 1.00 0.00 C ATOM 295 CG1 ILE A 23 12.593 7.538 0.247 1.00 0.00 C ATOM 296 CG2 ILE A 23 12.248 9.109 -1.678 1.00 0.00 C ATOM 297 CD1 ILE A 23 13.844 8.185 0.797 1.00 0.00 C ATOM 0 H ILE A 23 10.089 7.830 -0.420 1.00 0.00 H new ATOM 0 HA ILE A 23 11.237 6.863 -2.864 1.00 0.00 H new ATOM 0 HB ILE A 23 13.383 7.305 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.722 7.993 0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.589 6.483 0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.079 9.713 -1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.197 9.180 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.316 9.475 -1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 23 13.872 8.061 1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.722 7.714 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 23 13.841 9.247 0.554 1.00 0.00 H new ATOM 309 N GLN A 24 11.116 4.953 -0.200 1.00 0.00 N ATOM 310 CA GLN A 24 11.303 3.591 0.286 1.00 0.00 C ATOM 311 C GLN A 24 10.607 2.586 -0.626 1.00 0.00 C ATOM 312 O GLN A 24 11.152 1.525 -0.928 1.00 0.00 O ATOM 313 CB GLN A 24 10.768 3.458 1.713 1.00 0.00 C ATOM 314 CG GLN A 24 11.774 3.862 2.780 1.00 0.00 C ATOM 315 CD GLN A 24 12.883 2.843 2.951 1.00 0.00 C ATOM 316 OE1 GLN A 24 13.933 2.938 2.314 1.00 0.00 O ATOM 317 NE2 GLN A 24 12.657 1.861 3.816 1.00 0.00 N ATOM 0 H GLN A 24 10.624 5.569 0.448 1.00 0.00 H new ATOM 0 HA GLN A 24 12.372 3.376 0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.874 4.074 1.816 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.465 2.425 1.884 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.209 4.826 2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.257 3.994 3.730 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.772 1.821 4.322 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.368 1.147 3.974 1.00 0.00 H new ATOM 326 N VAL A 25 9.398 2.929 -1.061 1.00 0.00 N ATOM 327 CA VAL A 25 8.627 2.057 -1.940 1.00 0.00 C ATOM 328 C VAL A 25 9.539 1.282 -2.883 1.00 0.00 C ATOM 329 O VAL A 25 9.442 0.060 -2.992 1.00 0.00 O ATOM 330 CB VAL A 25 7.608 2.858 -2.771 1.00 0.00 C ATOM 331 CG1 VAL A 25 6.986 1.979 -3.845 1.00 0.00 C ATOM 332 CG2 VAL A 25 6.535 3.452 -1.870 1.00 0.00 C ATOM 0 H VAL A 25 8.932 3.804 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 25 8.092 1.356 -1.300 1.00 0.00 H new ATOM 0 HB VAL A 25 8.131 3.677 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.268 2.562 -4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.767 1.606 -4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.476 1.138 -3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.823 4.015 -2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.013 2.650 -1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.999 4.117 -1.142 1.00 0.00 H new ATOM 342 N GLU A 26 10.426 2.001 -3.564 1.00 0.00 N ATOM 343 CA GLU A 26 11.356 1.380 -4.500 1.00 0.00 C ATOM 344 C GLU A 26 11.827 0.025 -3.980 1.00 0.00 C ATOM 345 O GLU A 26 11.677 -0.997 -4.650 1.00 0.00 O ATOM 346 CB GLU A 26 12.560 2.293 -4.739 1.00 0.00 C ATOM 347 CG GLU A 26 13.642 1.662 -5.599 1.00 0.00 C ATOM 348 CD GLU A 26 14.625 2.681 -6.141 1.00 0.00 C ATOM 349 OE1 GLU A 26 15.193 3.445 -5.333 1.00 0.00 O ATOM 350 OE2 GLU A 26 14.828 2.714 -7.373 1.00 0.00 O ATOM 0 H GLU A 26 10.520 3.014 -3.485 1.00 0.00 H new ATOM 0 HA GLU A 26 10.833 1.226 -5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.219 3.212 -5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.990 2.573 -3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.181 0.920 -5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.177 1.133 -6.431 1.00 0.00 H new ATOM 357 N LYS A 27 12.398 0.025 -2.780 1.00 0.00 N ATOM 358 CA LYS A 27 12.892 -1.203 -2.167 1.00 0.00 C ATOM 359 C LYS A 27 11.736 -2.076 -1.690 1.00 0.00 C ATOM 360 O LYS A 27 11.611 -3.233 -2.091 1.00 0.00 O ATOM 361 CB LYS A 27 13.816 -0.875 -0.992 1.00 0.00 C ATOM 362 CG LYS A 27 15.275 -0.725 -1.389 1.00 0.00 C ATOM 363 CD LYS A 27 16.013 0.219 -0.455 1.00 0.00 C ATOM 364 CE LYS A 27 17.467 0.388 -0.868 1.00 0.00 C ATOM 365 NZ LYS A 27 18.334 -0.677 -0.293 1.00 0.00 N ATOM 0 H LYS A 27 12.530 0.862 -2.212 1.00 0.00 H new ATOM 0 HA LYS A 27 13.454 -1.755 -2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.479 0.049 -0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.731 -1.662 -0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.759 -1.702 -1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.338 -0.351 -2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.519 1.191 -0.453 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.965 -0.165 0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.540 0.368 -1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.826 1.364 -0.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.317 -0.527 -0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.284 -0.642 0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.007 -1.607 -0.624 1.00 0.00 H new ATOM 379 N HIS A 28 10.891 -1.513 -0.831 1.00 0.00 N ATOM 380 CA HIS A 28 9.743 -2.240 -0.301 1.00 0.00 C ATOM 381 C HIS A 28 9.156 -3.173 -1.356 1.00 0.00 C ATOM 382 O HIS A 28 8.770 -4.303 -1.055 1.00 0.00 O ATOM 383 CB HIS A 28 8.672 -1.262 0.183 1.00 0.00 C ATOM 384 CG HIS A 28 7.454 -1.933 0.739 1.00 0.00 C ATOM 385 ND1 HIS A 28 7.306 -2.237 2.075 1.00 0.00 N ATOM 386 CD2 HIS A 28 6.322 -2.358 0.130 1.00 0.00 C ATOM 387 CE1 HIS A 28 6.136 -2.822 2.265 1.00 0.00 C ATOM 388 NE2 HIS A 28 5.520 -2.907 1.100 1.00 0.00 N ATOM 0 H HIS A 28 10.980 -0.557 -0.488 1.00 0.00 H new ATOM 0 HA HIS A 28 10.083 -2.841 0.542 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.102 -0.615 0.948 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.376 -0.620 -0.647 1.00 0.00 H new ATOM 0 HD1 HIS A 28 7.992 -2.041 2.804 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.093 -2.280 -0.922 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.750 -3.171 3.211 1.00 0.00 H new ATOM 396 N VAL A 29 9.091 -2.693 -2.594 1.00 0.00 N ATOM 397 CA VAL A 29 8.552 -3.484 -3.693 1.00 0.00 C ATOM 398 C VAL A 29 9.333 -4.781 -3.872 1.00 0.00 C ATOM 399 O VAL A 29 8.752 -5.865 -3.931 1.00 0.00 O ATOM 400 CB VAL A 29 8.577 -2.697 -5.017 1.00 0.00 C ATOM 401 CG1 VAL A 29 8.060 -3.556 -6.160 1.00 0.00 C ATOM 402 CG2 VAL A 29 7.764 -1.417 -4.890 1.00 0.00 C ATOM 0 H VAL A 29 9.405 -1.760 -2.861 1.00 0.00 H new ATOM 0 HA VAL A 29 7.519 -3.717 -3.437 1.00 0.00 H new ATOM 0 HB VAL A 29 9.609 -2.425 -5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.085 -2.982 -7.087 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.688 -4.441 -6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.035 -3.862 -5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.792 -0.873 -5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.731 -1.665 -4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.185 -0.795 -4.100 1.00 0.00 H new ATOM 412 N SER A 30 10.654 -4.663 -3.957 1.00 0.00 N ATOM 413 CA SER A 30 11.516 -5.826 -4.133 1.00 0.00 C ATOM 414 C SER A 30 11.115 -6.948 -3.180 1.00 0.00 C ATOM 415 O SER A 30 11.079 -8.117 -3.561 1.00 0.00 O ATOM 416 CB SER A 30 12.979 -5.443 -3.900 1.00 0.00 C ATOM 417 OG SER A 30 13.251 -5.286 -2.518 1.00 0.00 O ATOM 0 H SER A 30 11.151 -3.774 -3.907 1.00 0.00 H new ATOM 0 HA SER A 30 11.399 -6.182 -5.157 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.630 -6.211 -4.317 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.203 -4.515 -4.426 1.00 0.00 H new ATOM 0 HG SER A 30 12.684 -4.576 -2.152 1.00 0.00 H new ATOM 423 N ASN A 31 10.814 -6.582 -1.938 1.00 0.00 N ATOM 424 CA ASN A 31 10.416 -7.557 -0.930 1.00 0.00 C ATOM 425 C ASN A 31 8.949 -7.944 -1.096 1.00 0.00 C ATOM 426 O ASN A 31 8.623 -9.113 -1.306 1.00 0.00 O ATOM 427 CB ASN A 31 10.651 -6.996 0.474 1.00 0.00 C ATOM 428 CG ASN A 31 12.087 -6.557 0.688 1.00 0.00 C ATOM 429 OD1 ASN A 31 12.976 -7.383 0.894 1.00 0.00 O ATOM 430 ND2 ASN A 31 12.319 -5.250 0.641 1.00 0.00 N ATOM 0 H ASN A 31 10.838 -5.618 -1.606 1.00 0.00 H new ATOM 0 HA ASN A 31 11.027 -8.450 -1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.986 -6.148 0.640 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.391 -7.754 1.213 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.265 -4.895 0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.551 -4.602 0.467 1.00 0.00 H new ATOM 437 N CYS A 32 8.068 -6.954 -1.001 1.00 0.00 N ATOM 438 CA CYS A 32 6.636 -7.188 -1.141 1.00 0.00 C ATOM 439 C CYS A 32 6.272 -7.482 -2.594 1.00 0.00 C ATOM 440 O CYS A 32 5.895 -6.582 -3.345 1.00 0.00 O ATOM 441 CB CYS A 32 5.848 -5.975 -0.642 1.00 0.00 C ATOM 442 SG CYS A 32 4.209 -6.382 0.039 1.00 0.00 S ATOM 0 H CYS A 32 8.321 -5.981 -0.827 1.00 0.00 H new ATOM 0 HA CYS A 32 6.375 -8.056 -0.536 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.432 -5.466 0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.723 -5.272 -1.466 1.00 0.00 H new ATOM 447 N ARG A 33 6.387 -8.748 -2.982 1.00 0.00 N ATOM 448 CA ARG A 33 6.072 -9.161 -4.344 1.00 0.00 C ATOM 449 C ARG A 33 4.585 -8.981 -4.636 1.00 0.00 C ATOM 450 O ARG A 33 4.182 -8.839 -5.790 1.00 0.00 O ATOM 451 CB ARG A 33 6.472 -10.621 -4.562 1.00 0.00 C ATOM 452 CG ARG A 33 7.975 -10.849 -4.552 1.00 0.00 C ATOM 453 CD ARG A 33 8.614 -10.408 -5.860 1.00 0.00 C ATOM 454 NE ARG A 33 10.073 -10.430 -5.791 1.00 0.00 N ATOM 455 CZ ARG A 33 10.793 -11.545 -5.832 1.00 0.00 C ATOM 456 NH1 ARG A 33 10.193 -12.722 -5.941 1.00 0.00 N ATOM 457 NH2 ARG A 33 12.117 -11.484 -5.764 1.00 0.00 N ATOM 0 H ARG A 33 6.696 -9.505 -2.372 1.00 0.00 H new ATOM 0 HA ARG A 33 6.639 -8.530 -5.029 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.015 -11.234 -3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.068 -10.961 -5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.422 -10.299 -3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.183 -11.905 -4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.279 -11.062 -6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.278 -9.401 -6.106 1.00 0.00 H new ATOM 0 HE ARG A 33 10.565 -9.541 -5.707 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.176 -12.773 -5.994 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.749 -13.577 -5.972 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.582 -10.580 -5.680 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.669 -12.341 -5.796 1.00 0.00 H new ATOM 471 N ASN A 34 3.775 -8.988 -3.582 1.00 0.00 N ATOM 472 CA ASN A 34 2.333 -8.826 -3.726 1.00 0.00 C ATOM 473 C ASN A 34 1.961 -7.353 -3.860 1.00 0.00 C ATOM 474 O ASN A 34 0.896 -7.015 -4.378 1.00 0.00 O ATOM 475 CB ASN A 34 1.608 -9.439 -2.526 1.00 0.00 C ATOM 476 CG ASN A 34 1.741 -10.949 -2.480 1.00 0.00 C ATOM 477 OD1 ASN A 34 2.603 -11.528 -3.141 1.00 0.00 O ATOM 478 ND2 ASN A 34 0.885 -11.595 -1.697 1.00 0.00 N ATOM 0 H ASN A 34 4.093 -9.104 -2.620 1.00 0.00 H new ATOM 0 HA ASN A 34 2.023 -9.344 -4.634 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.009 -9.013 -1.606 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.552 -9.171 -2.567 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.926 -12.612 -1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.186 -11.075 -1.167 1.00 0.00 H new ATOM 485 N CYS A 35 2.846 -6.480 -3.391 1.00 0.00 N ATOM 486 CA CYS A 35 2.611 -5.042 -3.458 1.00 0.00 C ATOM 487 C CYS A 35 2.435 -4.587 -4.903 1.00 0.00 C ATOM 488 O CYS A 35 3.356 -4.689 -5.712 1.00 0.00 O ATOM 489 CB CYS A 35 3.771 -4.284 -2.810 1.00 0.00 C ATOM 490 SG CYS A 35 3.689 -2.490 -3.019 1.00 0.00 S ATOM 0 H CYS A 35 3.733 -6.743 -2.960 1.00 0.00 H new ATOM 0 HA CYS A 35 1.693 -4.823 -2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.791 -4.514 -1.745 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.708 -4.646 -3.232 1.00 0.00 H new ATOM 0 HG CYS A 35 3.084 -1.961 -1.997 1.00 0.00 H new ATOM 496 N GLU A 36 1.244 -4.087 -5.219 1.00 0.00 N ATOM 497 CA GLU A 36 0.947 -3.619 -6.568 1.00 0.00 C ATOM 498 C GLU A 36 0.277 -2.248 -6.533 1.00 0.00 C ATOM 499 O GLU A 36 0.492 -1.417 -7.416 1.00 0.00 O ATOM 500 CB GLU A 36 0.045 -4.621 -7.292 1.00 0.00 C ATOM 501 CG GLU A 36 -1.320 -4.788 -6.647 1.00 0.00 C ATOM 502 CD GLU A 36 -2.029 -6.050 -7.100 1.00 0.00 C ATOM 503 OE1 GLU A 36 -1.728 -6.534 -8.211 1.00 0.00 O ATOM 504 OE2 GLU A 36 -2.885 -6.553 -6.342 1.00 0.00 O ATOM 0 H GLU A 36 0.471 -3.996 -4.560 1.00 0.00 H new ATOM 0 HA GLU A 36 1.889 -3.531 -7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.088 -4.298 -8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.544 -5.590 -7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.205 -4.809 -5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.939 -3.923 -6.885 1.00 0.00 H new ATOM 511 N CYS A 37 -0.536 -2.020 -5.507 1.00 0.00 N ATOM 512 CA CYS A 37 -1.239 -0.751 -5.357 1.00 0.00 C ATOM 513 C CYS A 37 -0.816 -0.043 -4.074 1.00 0.00 C ATOM 514 O CYS A 37 -0.614 -0.679 -3.038 1.00 0.00 O ATOM 515 CB CYS A 37 -2.752 -0.980 -5.351 1.00 0.00 C ATOM 516 SG CYS A 37 -3.306 -2.222 -4.161 1.00 0.00 S ATOM 0 H CYS A 37 -0.724 -2.697 -4.767 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.977 -0.117 -6.204 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.251 -0.036 -5.133 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.067 -1.283 -6.350 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.222 -2.967 -4.706 1.00 0.00 H new ATOM 522 N LEU A 38 -0.680 1.276 -4.149 1.00 0.00 N ATOM 523 CA LEU A 38 -0.278 2.071 -2.994 1.00 0.00 C ATOM 524 C LEU A 38 -1.309 3.155 -2.694 1.00 0.00 C ATOM 525 O LEU A 38 -1.622 3.982 -3.550 1.00 0.00 O ATOM 526 CB LEU A 38 1.091 2.708 -3.240 1.00 0.00 C ATOM 527 CG LEU A 38 2.298 1.781 -3.096 1.00 0.00 C ATOM 528 CD1 LEU A 38 3.561 2.468 -3.593 1.00 0.00 C ATOM 529 CD2 LEU A 38 2.462 1.340 -1.649 1.00 0.00 C ATOM 0 H LEU A 38 -0.842 1.818 -4.998 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.214 1.407 -2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.099 3.128 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.212 3.540 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 38 2.127 0.895 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.410 1.793 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.442 2.733 -4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.738 3.371 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.326 0.681 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.611 2.215 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.567 0.808 -1.327 1.00 0.00 H new ATOM 541 N SER A 39 -1.831 3.145 -1.471 1.00 0.00 N ATOM 542 CA SER A 39 -2.828 4.125 -1.058 1.00 0.00 C ATOM 543 C SER A 39 -2.191 5.223 -0.211 1.00 0.00 C ATOM 544 O SER A 39 -1.665 4.962 0.871 1.00 0.00 O ATOM 545 CB SER A 39 -3.949 3.444 -0.271 1.00 0.00 C ATOM 546 OG SER A 39 -4.772 4.399 0.376 1.00 0.00 O ATOM 0 H SER A 39 -1.580 2.469 -0.750 1.00 0.00 H new ATOM 0 HA SER A 39 -3.249 4.579 -1.955 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.553 2.836 -0.945 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.519 2.769 0.469 1.00 0.00 H new ATOM 0 HG SER A 39 -5.481 3.938 0.871 1.00 0.00 H new ATOM 552 N CYS A 40 -2.243 6.453 -0.711 1.00 0.00 N ATOM 553 CA CYS A 40 -1.672 7.592 -0.003 1.00 0.00 C ATOM 554 C CYS A 40 -2.439 7.871 1.287 1.00 0.00 C ATOM 555 O CYS A 40 -3.634 7.591 1.383 1.00 0.00 O ATOM 556 CB CYS A 40 -1.687 8.834 -0.896 1.00 0.00 C ATOM 557 SG CYS A 40 -0.798 10.263 -0.198 1.00 0.00 S ATOM 0 H CYS A 40 -2.675 6.686 -1.605 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.641 7.349 0.253 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.246 8.581 -1.860 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.722 9.120 -1.085 1.00 0.00 H new ATOM 562 N ILE A 41 -1.743 8.423 2.274 1.00 0.00 N ATOM 563 CA ILE A 41 -2.358 8.741 3.557 1.00 0.00 C ATOM 564 C ILE A 41 -2.338 10.243 3.819 1.00 0.00 C ATOM 565 O ILE A 41 -3.058 10.742 4.684 1.00 0.00 O ATOM 566 CB ILE A 41 -1.647 8.019 4.717 1.00 0.00 C ATOM 567 CG1 ILE A 41 -0.159 8.374 4.731 1.00 0.00 C ATOM 568 CG2 ILE A 41 -1.838 6.514 4.600 1.00 0.00 C ATOM 569 CD1 ILE A 41 0.566 7.889 5.967 1.00 0.00 C ATOM 0 H ILE A 41 -0.753 8.660 2.210 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.391 8.397 3.505 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.089 8.349 5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.317 7.946 3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.051 9.456 4.657 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.330 6.017 5.427 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.902 6.279 4.634 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.419 6.166 3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.616 8.176 5.909 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.116 8.338 6.852 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.489 6.804 6.031 1.00 0.00 H new ATOM 581 N ASP A 42 -1.510 10.959 3.066 1.00 0.00 N ATOM 582 CA ASP A 42 -1.398 12.405 3.215 1.00 0.00 C ATOM 583 C ASP A 42 -2.624 13.107 2.640 1.00 0.00 C ATOM 584 O ASP A 42 -3.120 14.080 3.209 1.00 0.00 O ATOM 585 CB ASP A 42 -0.132 12.913 2.523 1.00 0.00 C ATOM 586 CG ASP A 42 0.298 14.275 3.031 1.00 0.00 C ATOM 587 OD1 ASP A 42 -0.586 15.110 3.312 1.00 0.00 O ATOM 588 OD2 ASP A 42 1.521 14.506 3.147 1.00 0.00 O ATOM 0 H ASP A 42 -0.907 10.561 2.346 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.338 12.633 4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.676 12.198 2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.306 12.967 1.448 1.00 0.00 H new ATOM 593 N CYS A 43 -3.108 12.609 1.507 1.00 0.00 N ATOM 594 CA CYS A 43 -4.275 13.188 0.853 1.00 0.00 C ATOM 595 C CYS A 43 -5.365 12.139 0.655 1.00 0.00 C ATOM 596 O CYS A 43 -6.542 12.396 0.905 1.00 0.00 O ATOM 597 CB CYS A 43 -3.882 13.792 -0.497 1.00 0.00 C ATOM 598 SG CYS A 43 -3.217 12.583 -1.687 1.00 0.00 S ATOM 0 H CYS A 43 -2.709 11.805 1.022 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.667 13.976 1.496 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.756 14.274 -0.935 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.137 14.571 -0.332 1.00 0.00 H new ATOM 603 N GLY A 44 -4.963 10.954 0.205 1.00 0.00 N ATOM 604 CA GLY A 44 -5.917 9.883 -0.019 1.00 0.00 C ATOM 605 C GLY A 44 -6.196 9.653 -1.491 1.00 0.00 C ATOM 606 O GLY A 44 -6.904 10.434 -2.126 1.00 0.00 O ATOM 0 H GLY A 44 -3.994 10.717 -0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.536 8.963 0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.850 10.119 0.492 1.00 0.00 H new ATOM 610 N LYS A 45 -5.636 8.579 -2.037 1.00 0.00 N ATOM 611 CA LYS A 45 -5.826 8.247 -3.443 1.00 0.00 C ATOM 612 C LYS A 45 -5.344 6.830 -3.739 1.00 0.00 C ATOM 613 O LYS A 45 -4.449 6.317 -3.067 1.00 0.00 O ATOM 614 CB LYS A 45 -5.080 9.246 -4.330 1.00 0.00 C ATOM 615 CG LYS A 45 -5.691 9.408 -5.712 1.00 0.00 C ATOM 616 CD LYS A 45 -5.079 10.581 -6.458 1.00 0.00 C ATOM 617 CE LYS A 45 -5.761 10.806 -7.799 1.00 0.00 C ATOM 618 NZ LYS A 45 -5.304 9.828 -8.824 1.00 0.00 N ATOM 0 H LYS A 45 -5.046 7.923 -1.526 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.892 8.302 -3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.062 10.216 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.044 8.923 -4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.543 8.493 -6.286 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.767 9.556 -5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.161 11.483 -5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.016 10.399 -6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.841 10.725 -7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.555 11.819 -8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.792 10.014 -9.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.277 9.923 -8.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.523 8.863 -8.505 1.00 0.00 H new ATOM 632 N ASP A 46 -5.941 6.205 -4.748 1.00 0.00 N ATOM 633 CA ASP A 46 -5.569 4.849 -5.133 1.00 0.00 C ATOM 634 C ASP A 46 -4.607 4.864 -6.317 1.00 0.00 C ATOM 635 O ASP A 46 -4.913 5.421 -7.372 1.00 0.00 O ATOM 636 CB ASP A 46 -6.817 4.036 -5.485 1.00 0.00 C ATOM 637 CG ASP A 46 -7.833 4.020 -4.360 1.00 0.00 C ATOM 638 OD1 ASP A 46 -7.541 3.419 -3.305 1.00 0.00 O ATOM 639 OD2 ASP A 46 -8.920 4.608 -4.535 1.00 0.00 O ATOM 0 H ASP A 46 -6.684 6.616 -5.314 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.067 4.382 -4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.278 4.452 -6.381 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.526 3.013 -5.722 1.00 0.00 H new ATOM 644 N PHE A 47 -3.443 4.250 -6.135 1.00 0.00 N ATOM 645 CA PHE A 47 -2.434 4.195 -7.186 1.00 0.00 C ATOM 646 C PHE A 47 -2.103 2.750 -7.547 1.00 0.00 C ATOM 647 O PHE A 47 -1.557 2.006 -6.733 1.00 0.00 O ATOM 648 CB PHE A 47 -1.165 4.926 -6.744 1.00 0.00 C ATOM 649 CG PHE A 47 -1.375 6.392 -6.490 1.00 0.00 C ATOM 650 CD1 PHE A 47 -1.390 7.295 -7.541 1.00 0.00 C ATOM 651 CD2 PHE A 47 -1.557 6.866 -5.201 1.00 0.00 C ATOM 652 CE1 PHE A 47 -1.584 8.644 -7.310 1.00 0.00 C ATOM 653 CE2 PHE A 47 -1.751 8.214 -4.965 1.00 0.00 C ATOM 654 CZ PHE A 47 -1.763 9.104 -6.021 1.00 0.00 C ATOM 0 H PHE A 47 -3.175 3.783 -5.269 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.839 4.688 -8.070 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.784 4.459 -5.836 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.400 4.804 -7.510 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.249 6.941 -8.551 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.547 6.175 -4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.596 9.338 -8.138 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.893 8.571 -3.956 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.912 10.158 -5.839 1.00 0.00 H new ATOM 664 N TRP A 48 -2.437 2.361 -8.772 1.00 0.00 N ATOM 665 CA TRP A 48 -2.176 1.005 -9.241 1.00 0.00 C ATOM 666 C TRP A 48 -0.975 0.976 -10.180 1.00 0.00 C ATOM 667 O TRP A 48 -0.600 1.997 -10.755 1.00 0.00 O ATOM 668 CB TRP A 48 -3.408 0.443 -9.951 1.00 0.00 C ATOM 669 CG TRP A 48 -4.513 0.063 -9.012 1.00 0.00 C ATOM 670 CD1 TRP A 48 -5.572 0.839 -8.636 1.00 0.00 C ATOM 671 CD2 TRP A 48 -4.667 -1.186 -8.330 1.00 0.00 C ATOM 672 NE1 TRP A 48 -6.375 0.148 -7.761 1.00 0.00 N ATOM 673 CE2 TRP A 48 -5.841 -1.097 -7.558 1.00 0.00 C ATOM 674 CE3 TRP A 48 -3.928 -2.372 -8.298 1.00 0.00 C ATOM 675 CZ2 TRP A 48 -6.290 -2.149 -6.763 1.00 0.00 C ATOM 676 CZ3 TRP A 48 -4.374 -3.414 -7.508 1.00 0.00 C ATOM 677 CH2 TRP A 48 -5.547 -3.297 -6.750 1.00 0.00 C ATOM 0 H TRP A 48 -2.889 2.965 -9.458 1.00 0.00 H new ATOM 0 HA TRP A 48 -1.951 0.384 -8.374 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.781 1.184 -10.658 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.116 -0.433 -10.531 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.752 1.848 -8.977 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.229 0.504 -7.332 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.024 -2.472 -8.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.193 -2.061 -6.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.809 -4.334 -7.474 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -5.871 -4.130 -6.144 1.00 0.00 H new ATOM 688 N GLY A 49 -0.376 -0.202 -10.332 1.00 0.00 N ATOM 689 CA GLY A 49 0.776 -0.341 -11.203 1.00 0.00 C ATOM 690 C GLY A 49 1.912 0.585 -10.814 1.00 0.00 C ATOM 691 O GLY A 49 2.468 0.470 -9.722 1.00 0.00 O ATOM 0 H GLY A 49 -0.668 -1.062 -9.867 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.126 -1.373 -11.175 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.478 -0.133 -12.231 1.00 0.00 H new ATOM 695 N ASP A 50 2.258 1.502 -11.710 1.00 0.00 N ATOM 696 CA ASP A 50 3.336 2.451 -11.456 1.00 0.00 C ATOM 697 C ASP A 50 2.826 3.886 -11.533 1.00 0.00 C ATOM 698 O ASP A 50 3.540 4.787 -11.974 1.00 0.00 O ATOM 699 CB ASP A 50 4.472 2.246 -12.459 1.00 0.00 C ATOM 700 CG ASP A 50 4.780 0.780 -12.694 1.00 0.00 C ATOM 701 OD1 ASP A 50 4.722 -0.001 -11.721 1.00 0.00 O ATOM 702 OD2 ASP A 50 5.079 0.414 -13.850 1.00 0.00 O ATOM 0 H ASP A 50 1.808 1.609 -12.619 1.00 0.00 H new ATOM 0 HA ASP A 50 3.714 2.272 -10.449 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.205 2.715 -13.406 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.368 2.749 -12.096 1.00 0.00 H new ATOM 707 N ASP A 51 1.587 4.092 -11.101 1.00 0.00 N ATOM 708 CA ASP A 51 0.980 5.418 -11.121 1.00 0.00 C ATOM 709 C ASP A 51 1.418 6.234 -9.908 1.00 0.00 C ATOM 710 O ASP A 51 1.523 7.459 -9.976 1.00 0.00 O ATOM 711 CB ASP A 51 -0.545 5.305 -11.152 1.00 0.00 C ATOM 712 CG ASP A 51 -1.062 4.821 -12.493 1.00 0.00 C ATOM 713 OD1 ASP A 51 -0.478 3.864 -13.044 1.00 0.00 O ATOM 714 OD2 ASP A 51 -2.051 5.399 -12.990 1.00 0.00 O ATOM 0 H ASP A 51 0.983 3.357 -10.732 1.00 0.00 H new ATOM 0 HA ASP A 51 1.316 5.931 -12.022 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.872 4.619 -10.371 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.983 6.277 -10.926 1.00 0.00 H new ATOM 719 N TYR A 52 1.669 5.547 -8.800 1.00 0.00 N ATOM 720 CA TYR A 52 2.091 6.208 -7.570 1.00 0.00 C ATOM 721 C TYR A 52 3.321 7.077 -7.814 1.00 0.00 C ATOM 722 O TYR A 52 3.330 8.266 -7.491 1.00 0.00 O ATOM 723 CB TYR A 52 2.393 5.171 -6.487 1.00 0.00 C ATOM 724 CG TYR A 52 3.554 4.263 -6.824 1.00 0.00 C ATOM 725 CD1 TYR A 52 3.366 3.117 -7.587 1.00 0.00 C ATOM 726 CD2 TYR A 52 4.838 4.550 -6.378 1.00 0.00 C ATOM 727 CE1 TYR A 52 4.424 2.284 -7.897 1.00 0.00 C ATOM 728 CE2 TYR A 52 5.902 3.724 -6.685 1.00 0.00 C ATOM 729 CZ TYR A 52 5.690 2.592 -7.444 1.00 0.00 C ATOM 730 OH TYR A 52 6.747 1.765 -7.750 1.00 0.00 O ATOM 0 H TYR A 52 1.588 4.533 -8.727 1.00 0.00 H new ATOM 0 HA TYR A 52 1.276 6.849 -7.233 1.00 0.00 H new ATOM 0 HB2 TYR A 52 2.606 5.687 -5.551 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.504 4.563 -6.320 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.376 2.873 -7.944 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.007 5.434 -5.781 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.261 1.397 -8.491 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.894 3.963 -6.333 1.00 0.00 H new ATOM 0 HH TYR A 52 7.569 2.125 -7.356 1.00 0.00 H new ATOM 740 N LYS A 53 4.359 6.476 -8.386 1.00 0.00 N ATOM 741 CA LYS A 53 5.594 7.193 -8.676 1.00 0.00 C ATOM 742 C LYS A 53 5.302 8.620 -9.129 1.00 0.00 C ATOM 743 O LYS A 53 5.859 9.578 -8.593 1.00 0.00 O ATOM 744 CB LYS A 53 6.394 6.458 -9.754 1.00 0.00 C ATOM 745 CG LYS A 53 6.813 5.055 -9.350 1.00 0.00 C ATOM 746 CD LYS A 53 7.949 4.541 -10.218 1.00 0.00 C ATOM 747 CE LYS A 53 9.301 5.010 -9.702 1.00 0.00 C ATOM 748 NZ LYS A 53 10.419 4.195 -10.254 1.00 0.00 N ATOM 0 H LYS A 53 4.369 5.493 -8.658 1.00 0.00 H new ATOM 0 HA LYS A 53 6.183 7.235 -7.760 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.796 6.402 -10.663 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.284 7.039 -9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.123 5.054 -8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.959 4.382 -9.430 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.926 3.452 -10.242 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.810 4.886 -11.243 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.448 6.057 -9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.314 4.954 -8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.323 4.546 -9.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.293 3.200 -9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.423 4.269 -11.291 1.00 0.00 H new ATOM 762 N SER A 54 4.424 8.754 -10.118 1.00 0.00 N ATOM 763 CA SER A 54 4.060 10.064 -10.645 1.00 0.00 C ATOM 764 C SER A 54 3.617 10.997 -9.522 1.00 0.00 C ATOM 765 O SER A 54 3.955 12.181 -9.513 1.00 0.00 O ATOM 766 CB SER A 54 2.942 9.928 -11.680 1.00 0.00 C ATOM 767 OG SER A 54 3.438 9.404 -12.900 1.00 0.00 O ATOM 0 H SER A 54 3.952 7.971 -10.570 1.00 0.00 H new ATOM 0 HA SER A 54 4.940 10.493 -11.125 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.160 9.276 -11.292 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.486 10.902 -11.857 1.00 0.00 H new ATOM 0 HG SER A 54 2.704 9.325 -13.545 1.00 0.00 H new ATOM 773 N HIS A 55 2.858 10.454 -8.575 1.00 0.00 N ATOM 774 CA HIS A 55 2.369 11.237 -7.445 1.00 0.00 C ATOM 775 C HIS A 55 3.522 11.668 -6.543 1.00 0.00 C ATOM 776 O HIS A 55 4.014 10.884 -5.731 1.00 0.00 O ATOM 777 CB HIS A 55 1.350 10.429 -6.641 1.00 0.00 C ATOM 778 CG HIS A 55 0.704 11.209 -5.538 1.00 0.00 C ATOM 779 ND1 HIS A 55 -0.250 12.180 -5.762 1.00 0.00 N ATOM 780 CD2 HIS A 55 0.877 11.156 -4.197 1.00 0.00 C ATOM 781 CE1 HIS A 55 -0.634 12.691 -4.606 1.00 0.00 C ATOM 782 NE2 HIS A 55 0.035 12.087 -3.640 1.00 0.00 N ATOM 0 H HIS A 55 2.568 9.476 -8.568 1.00 0.00 H new ATOM 0 HA HIS A 55 1.884 12.131 -7.836 1.00 0.00 H new ATOM 0 HB2 HIS A 55 0.577 10.061 -7.315 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.845 9.556 -6.216 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.604 12.460 -6.677 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.552 10.503 -3.664 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.370 13.470 -4.473 1.00 0.00 H new ATOM 790 N VAL A 56 3.948 12.918 -6.691 1.00 0.00 N ATOM 791 CA VAL A 56 5.042 13.453 -5.889 1.00 0.00 C ATOM 792 C VAL A 56 4.517 14.345 -4.769 1.00 0.00 C ATOM 793 O VAL A 56 4.809 14.121 -3.594 1.00 0.00 O ATOM 794 CB VAL A 56 6.029 14.260 -6.753 1.00 0.00 C ATOM 795 CG1 VAL A 56 7.150 14.827 -5.896 1.00 0.00 C ATOM 796 CG2 VAL A 56 6.588 13.394 -7.872 1.00 0.00 C ATOM 0 H VAL A 56 3.552 13.579 -7.359 1.00 0.00 H new ATOM 0 HA VAL A 56 5.564 12.600 -5.456 1.00 0.00 H new ATOM 0 HB VAL A 56 5.492 15.095 -7.204 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.837 15.394 -6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.729 15.483 -5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.688 14.011 -5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.284 13.980 -8.473 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.110 12.538 -7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.771 13.042 -8.502 1.00 0.00 H new ATOM 806 N LYS A 57 3.741 15.357 -5.141 1.00 0.00 N ATOM 807 CA LYS A 57 3.173 16.283 -4.168 1.00 0.00 C ATOM 808 C LYS A 57 1.686 16.013 -3.964 1.00 0.00 C ATOM 809 O LYS A 57 1.020 15.454 -4.836 1.00 0.00 O ATOM 810 CB LYS A 57 3.381 17.728 -4.628 1.00 0.00 C ATOM 811 CG LYS A 57 2.483 18.134 -5.784 1.00 0.00 C ATOM 812 CD LYS A 57 2.227 19.632 -5.792 1.00 0.00 C ATOM 813 CE LYS A 57 3.450 20.403 -6.265 1.00 0.00 C ATOM 814 NZ LYS A 57 3.491 21.779 -5.697 1.00 0.00 N ATOM 0 H LYS A 57 3.491 15.557 -6.109 1.00 0.00 H new ATOM 0 HA LYS A 57 3.685 16.133 -3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.201 18.398 -3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.422 17.860 -4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.945 17.838 -6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.534 17.602 -5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.381 19.854 -6.443 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.953 19.961 -4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.353 19.864 -5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.445 20.459 -7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.339 22.272 -6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.642 22.302 -5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.521 21.725 -4.659 1.00 0.00 H new ATOM 828 N CYS A 58 1.170 16.414 -2.807 1.00 0.00 N ATOM 829 CA CYS A 58 -0.239 16.216 -2.487 1.00 0.00 C ATOM 830 C CYS A 58 -1.008 17.531 -2.581 1.00 0.00 C ATOM 831 O CYS A 58 -0.772 18.456 -1.803 1.00 0.00 O ATOM 832 CB CYS A 58 -0.387 15.625 -1.084 1.00 0.00 C ATOM 833 SG CYS A 58 0.420 14.006 -0.870 1.00 0.00 S ATOM 0 H CYS A 58 1.707 16.878 -2.075 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.656 15.519 -3.213 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.030 16.325 -0.361 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.448 15.523 -0.854 1.00 0.00 H new ATOM 838 N ILE A 59 -1.927 17.605 -3.538 1.00 0.00 N ATOM 839 CA ILE A 59 -2.731 18.805 -3.732 1.00 0.00 C ATOM 840 C ILE A 59 -4.115 18.646 -3.112 1.00 0.00 C ATOM 841 O ILE A 59 -4.962 17.922 -3.636 1.00 0.00 O ATOM 842 CB ILE A 59 -2.886 19.144 -5.226 1.00 0.00 C ATOM 843 CG1 ILE A 59 -1.512 19.333 -5.874 1.00 0.00 C ATOM 844 CG2 ILE A 59 -3.737 20.392 -5.402 1.00 0.00 C ATOM 845 CD1 ILE A 59 -0.864 18.037 -6.308 1.00 0.00 C ATOM 0 H ILE A 59 -2.133 16.849 -4.191 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.205 19.620 -3.236 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.389 18.313 -5.721 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.615 19.986 -6.741 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.854 19.840 -5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.837 20.618 -6.464 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.725 20.223 -4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.261 21.232 -4.896 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.106 18.248 -6.758 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.729 17.390 -5.441 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.502 17.538 -7.038 1.00 0.00 H new ATOM 857 N SER A 60 -4.339 19.329 -1.994 1.00 0.00 N ATOM 858 CA SER A 60 -5.620 19.262 -1.301 1.00 0.00 C ATOM 859 C SER A 60 -6.224 20.654 -1.139 1.00 0.00 C ATOM 860 O SER A 60 -6.027 21.311 -0.118 1.00 0.00 O ATOM 861 CB SER A 60 -5.449 18.605 0.070 1.00 0.00 C ATOM 862 OG SER A 60 -6.704 18.264 0.632 1.00 0.00 O ATOM 0 H SER A 60 -3.650 19.935 -1.549 1.00 0.00 H new ATOM 0 HA SER A 60 -6.299 18.658 -1.903 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.835 17.710 -0.026 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.920 19.284 0.739 1.00 0.00 H new ATOM 0 HG SER A 60 -6.567 17.844 1.507 1.00 0.00 H new ATOM 868 N GLU A 61 -6.959 21.095 -2.155 1.00 0.00 N ATOM 869 CA GLU A 61 -7.590 22.409 -2.126 1.00 0.00 C ATOM 870 C GLU A 61 -8.663 22.521 -3.205 1.00 0.00 C ATOM 871 O GLU A 61 -8.419 22.220 -4.372 1.00 0.00 O ATOM 872 CB GLU A 61 -6.542 23.508 -2.318 1.00 0.00 C ATOM 873 CG GLU A 61 -7.134 24.904 -2.409 1.00 0.00 C ATOM 874 CD GLU A 61 -7.368 25.529 -1.048 1.00 0.00 C ATOM 875 OE1 GLU A 61 -7.830 24.810 -0.137 1.00 0.00 O ATOM 876 OE2 GLU A 61 -7.088 26.736 -0.893 1.00 0.00 O ATOM 0 H GLU A 61 -7.132 20.562 -3.007 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.063 22.535 -1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.837 23.475 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.975 23.303 -3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.465 25.541 -2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.079 24.859 -2.951 1.00 0.00 H new ATOM 883 N GLY A 62 -9.854 22.957 -2.804 1.00 0.00 N ATOM 884 CA GLY A 62 -10.948 23.100 -3.747 1.00 0.00 C ATOM 885 C GLY A 62 -11.351 21.779 -4.373 1.00 0.00 C ATOM 886 O GLY A 62 -10.702 21.304 -5.305 1.00 0.00 O ATOM 0 H GLY A 62 -10.080 23.214 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.808 23.534 -3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.657 23.797 -4.533 1.00 0.00 H new ATOM 890 N GLN A 63 -12.422 21.185 -3.858 1.00 0.00 N ATOM 891 CA GLN A 63 -12.909 19.910 -4.372 1.00 0.00 C ATOM 892 C GLN A 63 -14.430 19.834 -4.287 1.00 0.00 C ATOM 893 O GLN A 63 -15.063 20.617 -3.579 1.00 0.00 O ATOM 894 CB GLN A 63 -12.284 18.751 -3.594 1.00 0.00 C ATOM 895 CG GLN A 63 -12.804 18.623 -2.171 1.00 0.00 C ATOM 896 CD GLN A 63 -12.451 19.820 -1.311 1.00 0.00 C ATOM 897 OE1 GLN A 63 -11.292 20.228 -1.239 1.00 0.00 O ATOM 898 NE2 GLN A 63 -13.453 20.391 -0.651 1.00 0.00 N ATOM 0 H GLN A 63 -12.969 21.566 -3.086 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.618 19.834 -5.420 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -12.477 17.820 -4.128 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.203 18.884 -3.566 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -13.887 18.503 -2.193 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.393 17.721 -1.718 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.399 20.020 -0.739 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -13.276 21.200 -0.056 1.00 0.00 H new ATOM 907 N LYS A 64 -15.011 18.885 -5.014 1.00 0.00 N ATOM 908 CA LYS A 64 -16.457 18.705 -5.021 1.00 0.00 C ATOM 909 C LYS A 64 -16.842 17.367 -4.398 1.00 0.00 C ATOM 910 O LYS A 64 -16.313 16.321 -4.775 1.00 0.00 O ATOM 911 CB LYS A 64 -16.995 18.786 -6.452 1.00 0.00 C ATOM 912 CG LYS A 64 -18.455 18.385 -6.577 1.00 0.00 C ATOM 913 CD LYS A 64 -19.379 19.574 -6.369 1.00 0.00 C ATOM 914 CE LYS A 64 -19.758 19.735 -4.905 1.00 0.00 C ATOM 915 NZ LYS A 64 -20.645 20.912 -4.688 1.00 0.00 N ATOM 0 H LYS A 64 -14.502 18.229 -5.606 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.900 19.504 -4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -16.874 19.805 -6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.394 18.142 -7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -18.632 17.953 -7.562 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.685 17.612 -5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -18.890 20.482 -6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -20.281 19.445 -6.967 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -20.261 18.832 -4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.854 19.846 -4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -20.881 20.987 -3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.156 21.777 -4.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -21.519 20.795 -5.240 1.00 0.00 H new ATOM 929 N TYR A 65 -17.766 17.407 -3.444 1.00 0.00 N ATOM 930 CA TYR A 65 -18.220 16.198 -2.768 1.00 0.00 C ATOM 931 C TYR A 65 -19.501 15.667 -3.404 1.00 0.00 C ATOM 932 O TYR A 65 -20.436 16.423 -3.668 1.00 0.00 O ATOM 933 CB TYR A 65 -18.451 16.476 -1.282 1.00 0.00 C ATOM 934 CG TYR A 65 -19.268 15.410 -0.587 1.00 0.00 C ATOM 935 CD1 TYR A 65 -18.928 14.067 -0.691 1.00 0.00 C ATOM 936 CD2 TYR A 65 -20.381 15.747 0.175 1.00 0.00 C ATOM 937 CE1 TYR A 65 -19.672 13.090 -0.059 1.00 0.00 C ATOM 938 CE2 TYR A 65 -21.130 14.777 0.813 1.00 0.00 C ATOM 939 CZ TYR A 65 -20.772 13.450 0.692 1.00 0.00 C ATOM 940 OH TYR A 65 -21.515 12.480 1.325 1.00 0.00 O ATOM 0 H TYR A 65 -18.215 18.264 -3.122 1.00 0.00 H new ATOM 0 HA TYR A 65 -17.444 15.440 -2.872 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -17.486 16.565 -0.783 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -18.955 17.436 -1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -18.066 13.782 -1.277 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -20.665 16.785 0.270 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -19.394 12.050 -0.152 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -21.991 15.056 1.403 1.00 0.00 H new ATOM 0 HH TYR A 65 -22.254 12.900 1.813 1.00 0.00 H new ATOM 950 N GLY A 66 -19.537 14.360 -3.646 1.00 0.00 N ATOM 951 CA GLY A 66 -20.708 13.749 -4.248 1.00 0.00 C ATOM 952 C GLY A 66 -20.408 12.391 -4.850 1.00 0.00 C ATOM 953 O GLY A 66 -19.252 12.064 -5.116 1.00 0.00 O ATOM 0 H GLY A 66 -18.776 13.714 -3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -21.488 13.644 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -21.100 14.408 -5.023 1.00 0.00 H new ATOM 957 N GLY A 67 -21.452 11.596 -5.064 1.00 0.00 N ATOM 958 CA GLY A 67 -21.274 10.274 -5.635 1.00 0.00 C ATOM 959 C GLY A 67 -21.328 9.178 -4.589 1.00 0.00 C ATOM 960 O GLY A 67 -20.971 9.397 -3.431 1.00 0.00 O ATOM 0 H GLY A 67 -22.418 11.844 -4.852 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -22.048 10.097 -6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.316 10.231 -6.152 1.00 0.00 H new ATOM 964 N LYS A 68 -21.777 7.996 -4.996 1.00 0.00 N ATOM 965 CA LYS A 68 -21.878 6.861 -4.086 1.00 0.00 C ATOM 966 C LYS A 68 -20.820 5.810 -4.408 1.00 0.00 C ATOM 967 O LYS A 68 -20.105 5.919 -5.403 1.00 0.00 O ATOM 968 CB LYS A 68 -23.273 6.237 -4.169 1.00 0.00 C ATOM 969 CG LYS A 68 -24.392 7.196 -3.799 1.00 0.00 C ATOM 970 CD LYS A 68 -25.759 6.583 -4.053 1.00 0.00 C ATOM 971 CE LYS A 68 -26.221 6.823 -5.482 1.00 0.00 C ATOM 972 NZ LYS A 68 -25.755 5.749 -6.403 1.00 0.00 N ATOM 0 H LYS A 68 -22.077 7.799 -5.951 1.00 0.00 H new ATOM 0 HA LYS A 68 -21.708 7.224 -3.072 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.439 5.872 -5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -23.314 5.371 -3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -24.305 7.470 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -24.291 8.115 -4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -25.720 5.511 -3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -26.484 7.008 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -27.309 6.877 -5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -25.846 7.786 -5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -26.544 5.445 -7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -24.982 6.112 -6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -25.414 4.939 -5.847 1.00 0.00 H new ATOM 986 N GLY A 69 -20.727 4.792 -3.558 1.00 0.00 N ATOM 987 CA GLY A 69 -19.754 3.736 -3.770 1.00 0.00 C ATOM 988 C GLY A 69 -20.302 2.365 -3.423 1.00 0.00 C ATOM 989 O GLY A 69 -21.327 2.251 -2.750 1.00 0.00 O ATOM 0 H GLY A 69 -21.308 4.680 -2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -19.435 3.743 -4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.869 3.934 -3.165 1.00 0.00 H new ATOM 993 N TYR A 70 -19.618 1.324 -3.883 1.00 0.00 N ATOM 994 CA TYR A 70 -20.044 -0.046 -3.620 1.00 0.00 C ATOM 995 C TYR A 70 -18.902 -1.028 -3.865 1.00 0.00 C ATOM 996 O TYR A 70 -18.262 -1.002 -4.915 1.00 0.00 O ATOM 997 CB TYR A 70 -21.241 -0.408 -4.502 1.00 0.00 C ATOM 998 CG TYR A 70 -22.031 -1.592 -3.993 1.00 0.00 C ATOM 999 CD1 TYR A 70 -21.645 -2.892 -4.293 1.00 0.00 C ATOM 1000 CD2 TYR A 70 -23.165 -1.410 -3.210 1.00 0.00 C ATOM 1001 CE1 TYR A 70 -22.365 -3.977 -3.831 1.00 0.00 C ATOM 1002 CE2 TYR A 70 -23.890 -2.489 -2.742 1.00 0.00 C ATOM 1003 CZ TYR A 70 -23.487 -3.770 -3.056 1.00 0.00 C ATOM 1004 OH TYR A 70 -24.206 -4.848 -2.592 1.00 0.00 O ATOM 0 H TYR A 70 -18.767 1.402 -4.439 1.00 0.00 H new ATOM 0 HA TYR A 70 -20.339 -0.114 -2.573 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -21.902 0.455 -4.575 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -20.887 -0.624 -5.510 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -20.766 -3.058 -4.898 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -23.485 -0.408 -2.963 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -22.051 -4.981 -4.075 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -24.768 -2.330 -2.133 1.00 0.00 H new ATOM 0 HH TYR A 70 -24.966 -4.530 -2.061 1.00 0.00 H new ATOM 1014 N GLU A 71 -18.654 -1.893 -2.886 1.00 0.00 N ATOM 1015 CA GLU A 71 -17.590 -2.884 -2.995 1.00 0.00 C ATOM 1016 C GLU A 71 -17.619 -3.845 -1.810 1.00 0.00 C ATOM 1017 O GLU A 71 -17.516 -3.429 -0.656 1.00 0.00 O ATOM 1018 CB GLU A 71 -16.227 -2.193 -3.072 1.00 0.00 C ATOM 1019 CG GLU A 71 -15.083 -3.139 -3.400 1.00 0.00 C ATOM 1020 CD GLU A 71 -15.308 -3.899 -4.693 1.00 0.00 C ATOM 1021 OE1 GLU A 71 -15.007 -3.342 -5.769 1.00 0.00 O ATOM 1022 OE2 GLU A 71 -15.784 -5.051 -4.628 1.00 0.00 O ATOM 0 H GLU A 71 -19.175 -1.927 -2.010 1.00 0.00 H new ATOM 0 HA GLU A 71 -17.752 -3.456 -3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -16.268 -1.410 -3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -16.022 -1.705 -2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.156 -2.571 -3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.958 -3.849 -2.583 1.00 0.00 H new ATOM 1029 N ALA A 72 -17.761 -5.133 -2.105 1.00 0.00 N ATOM 1030 CA ALA A 72 -17.802 -6.155 -1.066 1.00 0.00 C ATOM 1031 C ALA A 72 -17.652 -7.550 -1.661 1.00 0.00 C ATOM 1032 O ALA A 72 -18.478 -7.987 -2.463 1.00 0.00 O ATOM 1033 CB ALA A 72 -19.099 -6.052 -0.276 1.00 0.00 C ATOM 0 H ALA A 72 -17.850 -5.494 -3.055 1.00 0.00 H new ATOM 0 HA ALA A 72 -16.963 -5.985 -0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -19.117 -6.821 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -19.164 -5.069 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -19.946 -6.193 -0.947 1.00 0.00 H new ATOM 1039 N LYS A 73 -16.592 -8.247 -1.265 1.00 0.00 N ATOM 1040 CA LYS A 73 -16.333 -9.594 -1.759 1.00 0.00 C ATOM 1041 C LYS A 73 -15.464 -10.375 -0.779 1.00 0.00 C ATOM 1042 O LYS A 73 -14.466 -9.861 -0.274 1.00 0.00 O ATOM 1043 CB LYS A 73 -15.651 -9.536 -3.127 1.00 0.00 C ATOM 1044 CG LYS A 73 -15.353 -10.903 -3.717 1.00 0.00 C ATOM 1045 CD LYS A 73 -16.617 -11.585 -4.212 1.00 0.00 C ATOM 1046 CE LYS A 73 -16.935 -11.196 -5.648 1.00 0.00 C ATOM 1047 NZ LYS A 73 -18.102 -11.952 -6.182 1.00 0.00 N ATOM 0 H LYS A 73 -15.898 -7.901 -0.603 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.289 -10.107 -1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -16.287 -8.983 -3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.719 -8.978 -3.036 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.648 -10.798 -4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.872 -11.528 -2.964 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.498 -12.666 -4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.453 -11.315 -3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.141 -10.127 -5.697 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.064 -11.382 -6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.287 -11.658 -7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.896 -12.971 -6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.940 -11.755 -5.598 1.00 0.00 H new ATOM 1061 N SER A 74 -15.848 -11.620 -0.515 1.00 0.00 N ATOM 1062 CA SER A 74 -15.104 -12.471 0.406 1.00 0.00 C ATOM 1063 C SER A 74 -13.963 -13.184 -0.313 1.00 0.00 C ATOM 1064 O SER A 74 -14.075 -13.529 -1.489 1.00 0.00 O ATOM 1065 CB SER A 74 -16.037 -13.499 1.051 1.00 0.00 C ATOM 1066 OG SER A 74 -16.600 -12.995 2.250 1.00 0.00 O ATOM 0 H SER A 74 -16.670 -12.062 -0.926 1.00 0.00 H new ATOM 0 HA SER A 74 -14.679 -11.837 1.184 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.833 -13.760 0.354 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.484 -14.415 1.262 1.00 0.00 H new ATOM 0 HG SER A 74 -17.193 -13.670 2.642 1.00 0.00 H new ATOM 1072 N GLY A 75 -12.864 -13.401 0.403 1.00 0.00 N ATOM 1073 CA GLY A 75 -11.718 -14.071 -0.183 1.00 0.00 C ATOM 1074 C GLY A 75 -10.764 -14.610 0.865 1.00 0.00 C ATOM 1075 O GLY A 75 -10.928 -14.378 2.063 1.00 0.00 O ATOM 0 H GLY A 75 -12.747 -13.125 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.063 -14.891 -0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.186 -13.375 -0.831 1.00 0.00 H new ATOM 1079 N PRO A 76 -9.741 -15.350 0.414 1.00 0.00 N ATOM 1080 CA PRO A 76 -8.738 -15.941 1.305 1.00 0.00 C ATOM 1081 C PRO A 76 -7.828 -14.889 1.932 1.00 0.00 C ATOM 1082 O PRO A 76 -7.833 -13.728 1.523 1.00 0.00 O ATOM 1083 CB PRO A 76 -7.935 -16.857 0.378 1.00 0.00 C ATOM 1084 CG PRO A 76 -8.104 -16.266 -0.979 1.00 0.00 C ATOM 1085 CD PRO A 76 -9.483 -15.668 -1.001 1.00 0.00 C ATOM 0 HA PRO A 76 -9.196 -16.460 2.147 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.885 -16.890 0.667 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.308 -17.881 0.413 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -7.346 -15.506 -1.171 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.996 -17.027 -1.752 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.524 -14.777 -1.627 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.219 -16.369 -1.396 1.00 0.00 H new ATOM 1093 N SER A 77 -7.050 -15.304 2.926 1.00 0.00 N ATOM 1094 CA SER A 77 -6.137 -14.396 3.612 1.00 0.00 C ATOM 1095 C SER A 77 -4.686 -14.732 3.281 1.00 0.00 C ATOM 1096 O SER A 77 -3.931 -13.879 2.814 1.00 0.00 O ATOM 1097 CB SER A 77 -6.357 -14.466 5.125 1.00 0.00 C ATOM 1098 OG SER A 77 -5.992 -15.736 5.635 1.00 0.00 O ATOM 0 H SER A 77 -7.033 -16.262 3.275 1.00 0.00 H new ATOM 0 HA SER A 77 -6.344 -13.383 3.268 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.770 -13.691 5.617 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.404 -14.266 5.353 1.00 0.00 H new ATOM 0 HG SER A 77 -6.140 -15.754 6.604 1.00 0.00 H new ATOM 1104 N SER A 78 -4.304 -15.981 3.527 1.00 0.00 N ATOM 1105 CA SER A 78 -2.943 -16.430 3.259 1.00 0.00 C ATOM 1106 C SER A 78 -2.871 -17.188 1.936 1.00 0.00 C ATOM 1107 O SER A 78 -2.161 -16.785 1.016 1.00 0.00 O ATOM 1108 CB SER A 78 -2.444 -17.322 4.398 1.00 0.00 C ATOM 1109 OG SER A 78 -3.350 -18.381 4.651 1.00 0.00 O ATOM 0 H SER A 78 -4.917 -16.700 3.911 1.00 0.00 H new ATOM 0 HA SER A 78 -2.304 -15.550 3.189 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.466 -17.729 4.143 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.315 -16.726 5.301 1.00 0.00 H new ATOM 0 HG SER A 78 -3.007 -18.937 5.382 1.00 0.00 H new ATOM 1115 N GLY A 79 -3.612 -18.288 1.851 1.00 0.00 N ATOM 1116 CA GLY A 79 -3.619 -19.085 0.638 1.00 0.00 C ATOM 1117 C GLY A 79 -2.226 -19.510 0.216 1.00 0.00 C ATOM 1118 O GLY A 79 -2.093 -20.225 -0.776 1.00 0.00 O ATOM 0 H GLY A 79 -4.207 -18.642 2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.235 -19.971 0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.080 -18.513 -0.167 1.00 0.00 H new TER 1122 GLY A 79 HETATM 1123 ZN ZN A 201 3.657 -4.373 1.147 1.00 0.00 ZN HETATM 1124 ZN ZN A 401 -0.924 12.202 -1.492 1.00 0.00 ZN