USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 579 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 Set 1.1: A 37 SER OG : rot 146:sc= 0.347 USER MOD Set 1.2: A 42 SER OG : rot 180:sc= 0.319 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -1.12 X(o=0.96,f=0.91) USER MOD Set 2.2: A 17 CYS SG : rot -47:sc= 0.783 USER MOD Set 2.3: A 69 TYR OH : rot -9:sc= 1.3 USER MOD Set 3.1: A 3 SER OG : rot -122:sc= 0.112 USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 1 ASN : amide:sc= 1.27 K(o=1.8,f=-0.34) USER MOD Set 4.2: A 48 ASN : amide:sc= 0.561 K(o=1.8,f=0.4) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 28:sc= 0.802 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -178:sc= -0.184 (180deg=-0.192) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.28 USER MOD Single : A 15 LYS NZ :NH3+ -135:sc= 0.5 (180deg=-1.14!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.071) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 83:sc= 0.649 USER MOD Single : A 26 SER OG : rot -30:sc= 0.263 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -170:sc= -0.0715 USER MOD Single : A 33 SER OG : rot 28:sc= 1.23 USER MOD Single : A 40 ASN : amide:sc= -0.95! K(o=-0.95!,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0311 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 83:sc= 0.391 USER MOD Single : A 59 LYS NZ :NH3+ 145:sc= 1.05 (180deg=-0.842!) USER MOD Single : A 65 SER OG : rot 113:sc= 0.66 USER MOD Single : A 72 SER OG : rot 180:sc=-4.9e-05 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -13.731 -12.345 -7.255 1.00 0.00 N ATOM 2 CA ASN A 1 -13.576 -12.737 -5.842 1.00 0.00 C ATOM 3 C ASN A 1 -12.604 -11.738 -5.188 1.00 0.00 C ATOM 4 O ASN A 1 -12.968 -10.881 -4.381 1.00 0.00 O ATOM 5 CB ASN A 1 -13.072 -14.203 -5.766 1.00 0.00 C ATOM 6 CG ASN A 1 -12.424 -14.588 -4.441 1.00 0.00 C ATOM 7 OD1 ASN A 1 -13.085 -14.686 -3.417 1.00 0.00 O ATOM 8 ND2 ASN A 1 -11.121 -14.811 -4.422 1.00 0.00 N ATOM 0 H1 ASN A 1 -14.384 -13.002 -7.728 1.00 0.00 H new ATOM 0 H2 ASN A 1 -14.113 -11.379 -7.307 1.00 0.00 H new ATOM 0 H3 ASN A 1 -12.805 -12.377 -7.728 1.00 0.00 H new ATOM 0 HA ASN A 1 -14.523 -12.704 -5.303 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -13.913 -14.872 -5.951 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -12.352 -14.367 -6.568 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -10.660 -15.067 -3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -10.577 -14.727 -5.281 1.00 0.00 H new ATOM 15 N ASP A 2 -11.360 -11.836 -5.633 1.00 0.00 N ATOM 16 CA ASP A 2 -10.250 -10.936 -5.409 1.00 0.00 C ATOM 17 C ASP A 2 -10.287 -9.741 -6.377 1.00 0.00 C ATOM 18 O ASP A 2 -10.919 -9.756 -7.436 1.00 0.00 O ATOM 19 CB ASP A 2 -8.929 -11.733 -5.501 1.00 0.00 C ATOM 20 CG ASP A 2 -8.870 -12.726 -6.676 1.00 0.00 C ATOM 21 OD1 ASP A 2 -9.627 -13.731 -6.623 1.00 0.00 O ATOM 22 OD2 ASP A 2 -8.076 -12.488 -7.610 1.00 0.00 O ATOM 0 H ASP A 2 -11.081 -12.626 -6.216 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.325 -10.508 -4.409 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.100 -11.031 -5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.783 -12.280 -4.570 1.00 0.00 H new ATOM 27 N SER A 3 -9.605 -8.683 -5.964 1.00 0.00 N ATOM 28 CA SER A 3 -9.331 -7.452 -6.679 1.00 0.00 C ATOM 29 C SER A 3 -7.893 -6.995 -6.363 1.00 0.00 C ATOM 30 O SER A 3 -7.139 -7.682 -5.665 1.00 0.00 O ATOM 31 CB SER A 3 -10.358 -6.402 -6.238 1.00 0.00 C ATOM 32 OG SER A 3 -10.307 -5.235 -7.047 1.00 0.00 O ATOM 0 H SER A 3 -9.192 -8.667 -5.031 1.00 0.00 H new ATOM 0 HA SER A 3 -9.412 -7.596 -7.756 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.359 -6.832 -6.284 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.175 -6.131 -5.198 1.00 0.00 H new ATOM 0 HG SER A 3 -10.124 -4.454 -6.484 1.00 0.00 H new ATOM 38 N THR A 4 -7.489 -5.826 -6.867 1.00 0.00 N ATOM 39 CA THR A 4 -6.104 -5.339 -6.812 1.00 0.00 C ATOM 40 C THR A 4 -6.044 -3.863 -7.168 1.00 0.00 C ATOM 41 O THR A 4 -6.730 -3.391 -8.072 1.00 0.00 O ATOM 42 CB THR A 4 -5.185 -6.190 -7.712 1.00 0.00 C ATOM 43 OG1 THR A 4 -4.894 -7.377 -7.031 1.00 0.00 O ATOM 44 CG2 THR A 4 -3.833 -5.560 -8.064 1.00 0.00 C ATOM 0 H THR A 4 -8.125 -5.179 -7.333 1.00 0.00 H new ATOM 0 HA THR A 4 -5.737 -5.444 -5.791 1.00 0.00 H new ATOM 0 HB THR A 4 -5.734 -6.317 -8.645 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.628 -7.590 -6.417 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.268 -6.242 -8.699 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.996 -4.621 -8.594 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.272 -5.368 -7.149 1.00 0.00 H new ATOM 52 N ALA A 5 -5.172 -3.154 -6.459 1.00 0.00 N ATOM 53 CA ALA A 5 -4.780 -1.784 -6.746 1.00 0.00 C ATOM 54 C ALA A 5 -3.276 -1.586 -6.496 1.00 0.00 C ATOM 55 O ALA A 5 -2.621 -2.398 -5.824 1.00 0.00 O ATOM 56 CB ALA A 5 -5.634 -0.836 -5.898 1.00 0.00 C ATOM 0 H ALA A 5 -4.702 -3.535 -5.638 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.954 -1.559 -7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.348 0.195 -6.105 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.687 -0.977 -6.143 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.476 -1.051 -4.841 1.00 0.00 H new ATOM 62 N THR A 6 -2.747 -0.488 -7.043 1.00 0.00 N ATOM 63 CA THR A 6 -1.323 -0.146 -7.024 1.00 0.00 C ATOM 64 C THR A 6 -1.144 1.281 -6.547 1.00 0.00 C ATOM 65 O THR A 6 -1.876 2.183 -6.953 1.00 0.00 O ATOM 66 CB THR A 6 -0.730 -0.274 -8.420 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.998 -1.558 -8.935 1.00 0.00 O ATOM 68 CG2 THR A 6 0.780 -0.044 -8.418 1.00 0.00 C ATOM 0 H THR A 6 -3.315 0.208 -7.526 1.00 0.00 H new ATOM 0 HA THR A 6 -0.813 -0.832 -6.348 1.00 0.00 H new ATOM 0 HB THR A 6 -1.192 0.490 -9.045 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.616 -1.636 -9.834 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.165 -0.144 -9.433 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.995 0.958 -8.046 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.259 -0.781 -7.774 1.00 0.00 H new ATOM 76 N PHE A 7 -0.134 1.486 -5.708 1.00 0.00 N ATOM 77 CA PHE A 7 0.079 2.738 -4.992 1.00 0.00 C ATOM 78 C PHE A 7 1.557 3.130 -4.937 1.00 0.00 C ATOM 79 O PHE A 7 2.444 2.277 -4.936 1.00 0.00 O ATOM 80 CB PHE A 7 -0.513 2.665 -3.577 1.00 0.00 C ATOM 81 CG PHE A 7 -1.935 2.115 -3.487 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.212 0.729 -3.470 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.014 3.019 -3.470 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.533 0.268 -3.471 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.340 2.555 -3.454 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.599 1.179 -3.466 1.00 0.00 C ATOM 0 H PHE A 7 0.570 0.776 -5.504 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.441 3.516 -5.550 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.138 2.044 -2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.501 3.666 -3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.397 0.020 -3.456 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.820 4.081 -3.469 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.732 -0.793 -3.476 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.159 3.259 -3.432 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.618 0.820 -3.471 1.00 0.00 H new ATOM 96 N ILE A 8 1.839 4.430 -4.857 1.00 0.00 N ATOM 97 CA ILE A 8 3.190 4.974 -4.875 1.00 0.00 C ATOM 98 C ILE A 8 3.345 6.155 -3.923 1.00 0.00 C ATOM 99 O ILE A 8 2.535 7.079 -3.925 1.00 0.00 O ATOM 100 CB ILE A 8 3.595 5.274 -6.331 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.102 5.558 -6.361 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.800 6.403 -6.998 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.748 5.329 -7.728 1.00 0.00 C ATOM 0 H ILE A 8 1.117 5.146 -4.776 1.00 0.00 H new ATOM 0 HA ILE A 8 3.891 4.233 -4.491 1.00 0.00 H new ATOM 0 HB ILE A 8 3.351 4.393 -6.925 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.273 6.591 -6.057 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.596 4.923 -5.625 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.154 6.543 -8.019 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.742 6.143 -7.013 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.939 7.327 -6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.814 5.551 -7.669 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.610 4.290 -8.026 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.282 5.983 -8.465 1.00 0.00 H new ATOM 115 N ILE A 9 4.385 6.078 -3.094 1.00 0.00 N ATOM 116 CA ILE A 9 4.637 6.929 -1.940 1.00 0.00 C ATOM 117 C ILE A 9 5.808 7.873 -2.213 1.00 0.00 C ATOM 118 O ILE A 9 6.960 7.460 -2.313 1.00 0.00 O ATOM 119 CB ILE A 9 4.944 6.090 -0.678 1.00 0.00 C ATOM 120 CG1 ILE A 9 3.995 4.894 -0.392 1.00 0.00 C ATOM 121 CG2 ILE A 9 4.975 7.075 0.515 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.188 3.608 -1.193 1.00 0.00 C ATOM 0 H ILE A 9 5.115 5.377 -3.221 1.00 0.00 H new ATOM 0 HA ILE A 9 3.733 7.511 -1.763 1.00 0.00 H new ATOM 0 HB ILE A 9 5.900 5.594 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.085 4.644 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.972 5.235 -0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.189 6.528 1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.750 7.823 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.007 7.569 0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.451 2.869 -0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.061 3.818 -2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.190 3.217 -1.018 1.00 0.00 H new ATOM 134 N ASP A 10 5.537 9.165 -2.266 1.00 0.00 N ATOM 135 CA ASP A 10 6.482 10.185 -2.708 1.00 0.00 C ATOM 136 C ASP A 10 7.571 10.565 -1.681 1.00 0.00 C ATOM 137 O ASP A 10 8.440 11.390 -1.968 1.00 0.00 O ATOM 138 CB ASP A 10 5.670 11.377 -3.260 1.00 0.00 C ATOM 139 CG ASP A 10 5.727 11.496 -4.795 1.00 0.00 C ATOM 140 OD1 ASP A 10 6.730 11.046 -5.399 1.00 0.00 O ATOM 141 OD2 ASP A 10 4.730 12.006 -5.364 1.00 0.00 O ATOM 0 H ASP A 10 4.631 9.548 -1.997 1.00 0.00 H new ATOM 0 HA ASP A 10 7.095 9.768 -3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.630 11.274 -2.949 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.046 12.299 -2.817 1.00 0.00 H new ATOM 146 N GLY A 11 7.560 9.910 -0.516 1.00 0.00 N ATOM 147 CA GLY A 11 8.449 10.163 0.626 1.00 0.00 C ATOM 148 C GLY A 11 8.960 8.936 1.390 1.00 0.00 C ATOM 149 O GLY A 11 9.623 9.113 2.407 1.00 0.00 O ATOM 0 H GLY A 11 6.901 9.153 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.312 10.723 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.922 10.807 1.330 1.00 0.00 H new ATOM 153 N MET A 12 8.670 7.692 0.971 1.00 0.00 N ATOM 154 CA MET A 12 9.049 6.527 1.799 1.00 0.00 C ATOM 155 C MET A 12 10.564 6.255 1.818 1.00 0.00 C ATOM 156 O MET A 12 11.233 6.295 0.788 1.00 0.00 O ATOM 157 CB MET A 12 8.243 5.266 1.446 1.00 0.00 C ATOM 158 CG MET A 12 8.820 4.403 0.328 1.00 0.00 C ATOM 159 SD MET A 12 7.770 2.990 -0.052 1.00 0.00 S ATOM 160 CE MET A 12 9.006 1.676 -0.064 1.00 0.00 C ATOM 0 H MET A 12 8.193 7.468 0.098 1.00 0.00 H new ATOM 0 HA MET A 12 8.782 6.801 2.819 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.151 4.653 2.343 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.235 5.569 1.163 1.00 0.00 H new ATOM 0 HG2 MET A 12 8.947 5.010 -0.568 1.00 0.00 H new ATOM 0 HG3 MET A 12 9.810 4.050 0.618 1.00 0.00 H new ATOM 0 HE1 MET A 12 8.529 0.730 -0.320 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.775 1.906 -0.802 1.00 0.00 H new ATOM 0 HE3 MET A 12 9.462 1.597 0.923 1.00 0.00 H new ATOM 170 N HIS A 13 11.083 5.859 2.980 1.00 0.00 N ATOM 171 CA HIS A 13 12.485 5.498 3.260 1.00 0.00 C ATOM 172 C HIS A 13 12.973 4.185 2.582 1.00 0.00 C ATOM 173 O HIS A 13 13.759 3.432 3.165 1.00 0.00 O ATOM 174 CB HIS A 13 12.674 5.364 4.782 1.00 0.00 C ATOM 175 CG HIS A 13 12.302 6.520 5.683 1.00 0.00 C ATOM 176 ND1 HIS A 13 12.581 6.565 7.032 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.641 7.684 5.382 1.00 0.00 C ATOM 178 CE1 HIS A 13 12.119 7.725 7.524 1.00 0.00 C ATOM 179 NE2 HIS A 13 11.541 8.440 6.553 1.00 0.00 N ATOM 0 H HIS A 13 10.500 5.774 3.812 1.00 0.00 H new ATOM 0 HA HIS A 13 13.087 6.301 2.835 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.098 4.498 5.108 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.724 5.135 4.962 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.264 7.967 4.410 1.00 0.00 H new ATOM 0 HE1 HIS A 13 12.202 8.036 8.555 1.00 0.00 H new ATOM 0 HE2 HIS A 13 11.110 9.360 6.649 1.00 0.00 H new ATOM 187 N CYS A 14 12.457 3.852 1.395 1.00 0.00 N ATOM 188 CA CYS A 14 12.929 2.753 0.547 1.00 0.00 C ATOM 189 C CYS A 14 12.940 1.417 1.321 1.00 0.00 C ATOM 190 O CYS A 14 11.952 1.098 1.989 1.00 0.00 O ATOM 191 CB CYS A 14 14.266 3.199 -0.079 1.00 0.00 C ATOM 192 SG CYS A 14 14.763 2.111 -1.448 1.00 0.00 S ATOM 0 H CYS A 14 11.672 4.358 0.984 1.00 0.00 H new ATOM 0 HA CYS A 14 12.251 2.540 -0.280 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.174 4.223 -0.442 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.043 3.201 0.685 1.00 0.00 H new ATOM 0 HG CYS A 14 15.891 2.526 -1.945 1.00 0.00 H new ATOM 198 N LYS A 15 14.030 0.648 1.266 1.00 0.00 N ATOM 199 CA LYS A 15 14.126 -0.742 1.743 1.00 0.00 C ATOM 200 C LYS A 15 13.715 -0.983 3.205 1.00 0.00 C ATOM 201 O LYS A 15 13.240 -2.068 3.518 1.00 0.00 O ATOM 202 CB LYS A 15 15.528 -1.298 1.421 1.00 0.00 C ATOM 203 CG LYS A 15 15.751 -1.247 -0.098 1.00 0.00 C ATOM 204 CD LYS A 15 16.845 -2.166 -0.642 1.00 0.00 C ATOM 205 CE LYS A 15 16.721 -2.152 -2.174 1.00 0.00 C ATOM 206 NZ LYS A 15 17.593 -3.160 -2.815 1.00 0.00 N ATOM 0 H LYS A 15 14.908 0.987 0.873 1.00 0.00 H new ATOM 0 HA LYS A 15 13.369 -1.302 1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.292 -0.713 1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.618 -2.323 1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 15 14.813 -1.498 -0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.993 -0.221 -0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.830 -1.819 -0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.727 -3.178 -0.255 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.685 -2.340 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.978 -1.161 -2.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 18.082 -2.730 -3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.295 -3.499 -2.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.016 -3.960 -3.143 1.00 0.00 H new ATOM 220 N SER A 16 13.789 0.012 4.091 1.00 0.00 N ATOM 221 CA SER A 16 13.182 -0.119 5.428 1.00 0.00 C ATOM 222 C SER A 16 11.685 0.190 5.406 1.00 0.00 C ATOM 223 O SER A 16 10.903 -0.588 5.950 1.00 0.00 O ATOM 224 CB SER A 16 13.838 0.810 6.452 1.00 0.00 C ATOM 225 OG SER A 16 15.244 0.642 6.474 1.00 0.00 O ATOM 0 H SER A 16 14.253 0.904 3.918 1.00 0.00 H new ATOM 0 HA SER A 16 13.342 -1.157 5.720 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.597 1.846 6.213 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.430 0.608 7.443 1.00 0.00 H new ATOM 0 HG SER A 16 15.636 1.249 7.136 1.00 0.00 H new ATOM 231 N CYS A 17 11.254 1.281 4.753 1.00 0.00 N ATOM 232 CA CYS A 17 9.843 1.606 4.620 1.00 0.00 C ATOM 233 C CYS A 17 9.073 0.477 3.934 1.00 0.00 C ATOM 234 O CYS A 17 8.015 0.133 4.444 1.00 0.00 O ATOM 235 CB CYS A 17 9.744 2.965 3.921 1.00 0.00 C ATOM 236 SG CYS A 17 9.474 4.251 5.182 1.00 0.00 S ATOM 0 H CYS A 17 11.878 1.954 4.308 1.00 0.00 H new ATOM 0 HA CYS A 17 9.362 1.695 5.594 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.657 3.170 3.362 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.924 2.962 3.203 1.00 0.00 H new ATOM 0 HG CYS A 17 8.537 3.868 5.998 1.00 0.00 H new ATOM 242 N VAL A 18 9.633 -0.148 2.895 1.00 0.00 N ATOM 243 CA VAL A 18 9.113 -1.353 2.226 1.00 0.00 C ATOM 244 C VAL A 18 8.546 -2.351 3.240 1.00 0.00 C ATOM 245 O VAL A 18 7.370 -2.688 3.164 1.00 0.00 O ATOM 246 CB VAL A 18 10.230 -2.057 1.403 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.892 -3.511 1.021 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.676 -1.281 0.151 1.00 0.00 C ATOM 0 H VAL A 18 10.501 0.184 2.475 1.00 0.00 H new ATOM 0 HA VAL A 18 8.316 -1.027 1.558 1.00 0.00 H new ATOM 0 HB VAL A 18 11.072 -2.074 2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.716 -3.938 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.736 -4.098 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.985 -3.527 0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.456 -1.840 -0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.825 -1.146 -0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.063 -0.306 0.446 1.00 0.00 H new ATOM 258 N SER A 19 9.358 -2.766 4.216 1.00 0.00 N ATOM 259 CA SER A 19 8.993 -3.787 5.203 1.00 0.00 C ATOM 260 C SER A 19 7.751 -3.392 6.016 1.00 0.00 C ATOM 261 O SER A 19 6.838 -4.199 6.204 1.00 0.00 O ATOM 262 CB SER A 19 10.199 -3.957 6.140 1.00 0.00 C ATOM 263 OG SER A 19 10.084 -5.121 6.938 1.00 0.00 O ATOM 0 H SER A 19 10.300 -2.398 4.345 1.00 0.00 H new ATOM 0 HA SER A 19 8.745 -4.716 4.690 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.114 -4.010 5.549 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.285 -3.082 6.784 1.00 0.00 H new ATOM 0 HG SER A 19 10.869 -5.198 7.520 1.00 0.00 H new ATOM 269 N ASN A 20 7.674 -2.128 6.449 1.00 0.00 N ATOM 270 CA ASN A 20 6.487 -1.616 7.146 1.00 0.00 C ATOM 271 C ASN A 20 5.238 -1.643 6.268 1.00 0.00 C ATOM 272 O ASN A 20 4.143 -1.927 6.760 1.00 0.00 O ATOM 273 CB ASN A 20 6.692 -0.153 7.505 1.00 0.00 C ATOM 274 CG ASN A 20 7.901 0.097 8.383 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.238 -0.664 9.274 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.608 1.174 8.125 1.00 0.00 N ATOM 0 H ASN A 20 8.419 -1.441 6.329 1.00 0.00 H new ATOM 0 HA ASN A 20 6.353 -2.255 8.019 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.795 0.426 6.587 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.802 0.215 8.015 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.445 1.378 8.672 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.320 1.806 7.378 1.00 0.00 H new ATOM 283 N ILE A 21 5.397 -1.281 4.987 1.00 0.00 N ATOM 284 CA ILE A 21 4.279 -1.194 4.046 1.00 0.00 C ATOM 285 C ILE A 21 3.736 -2.597 3.832 1.00 0.00 C ATOM 286 O ILE A 21 2.546 -2.796 4.035 1.00 0.00 O ATOM 287 CB ILE A 21 4.658 -0.524 2.704 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.612 0.691 2.862 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.350 -0.233 1.933 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.298 1.912 2.000 1.00 0.00 C ATOM 0 H ILE A 21 6.301 -1.042 4.579 1.00 0.00 H new ATOM 0 HA ILE A 21 3.513 -0.548 4.476 1.00 0.00 H new ATOM 0 HB ILE A 21 5.263 -1.206 2.107 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.604 0.999 3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.626 0.362 2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.587 0.241 0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.819 -1.167 1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.721 0.433 2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.031 2.694 2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.338 1.634 0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.301 2.280 2.240 1.00 0.00 H new ATOM 302 N GLU A 22 4.614 -3.557 3.545 1.00 0.00 N ATOM 303 CA GLU A 22 4.291 -4.973 3.449 1.00 0.00 C ATOM 304 C GLU A 22 3.553 -5.446 4.706 1.00 0.00 C ATOM 305 O GLU A 22 2.455 -5.978 4.602 1.00 0.00 O ATOM 306 CB GLU A 22 5.584 -5.762 3.153 1.00 0.00 C ATOM 307 CG GLU A 22 6.070 -5.477 1.719 1.00 0.00 C ATOM 308 CD GLU A 22 6.542 -6.699 0.938 1.00 0.00 C ATOM 309 OE1 GLU A 22 7.340 -7.477 1.503 1.00 0.00 O ATOM 310 OE2 GLU A 22 6.126 -6.802 -0.240 1.00 0.00 O ATOM 0 H GLU A 22 5.599 -3.361 3.368 1.00 0.00 H new ATOM 0 HA GLU A 22 3.603 -5.155 2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.359 -5.485 3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.403 -6.830 3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.260 -5.003 1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.888 -4.758 1.766 1.00 0.00 H new ATOM 317 N SER A 23 4.062 -5.172 5.905 1.00 0.00 N ATOM 318 CA SER A 23 3.382 -5.617 7.125 1.00 0.00 C ATOM 319 C SER A 23 2.048 -4.930 7.436 1.00 0.00 C ATOM 320 O SER A 23 1.194 -5.556 8.069 1.00 0.00 O ATOM 321 CB SER A 23 4.314 -5.406 8.318 1.00 0.00 C ATOM 322 OG SER A 23 3.736 -5.948 9.496 1.00 0.00 O ATOM 0 H SER A 23 4.927 -4.654 6.060 1.00 0.00 H new ATOM 0 HA SER A 23 3.143 -6.665 6.947 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.276 -5.881 8.125 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.505 -4.342 8.455 1.00 0.00 H new ATOM 0 HG SER A 23 4.343 -5.808 10.253 1.00 0.00 H new ATOM 328 N THR A 24 1.885 -3.649 7.082 1.00 0.00 N ATOM 329 CA THR A 24 0.666 -2.880 7.366 1.00 0.00 C ATOM 330 C THR A 24 -0.432 -3.266 6.384 1.00 0.00 C ATOM 331 O THR A 24 -1.564 -3.562 6.765 1.00 0.00 O ATOM 332 CB THR A 24 0.965 -1.369 7.385 1.00 0.00 C ATOM 333 OG1 THR A 24 1.908 -1.161 8.405 1.00 0.00 O ATOM 334 CG2 THR A 24 -0.260 -0.526 7.738 1.00 0.00 C ATOM 0 H THR A 24 2.599 -3.114 6.588 1.00 0.00 H new ATOM 0 HA THR A 24 0.300 -3.126 8.363 1.00 0.00 H new ATOM 0 HB THR A 24 1.306 -1.074 6.393 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.806 -1.354 8.064 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.012 0.530 7.736 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.046 -0.700 7.003 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.621 -0.806 8.728 1.00 0.00 H new ATOM 342 N LEU A 25 -0.079 -3.279 5.102 1.00 0.00 N ATOM 343 CA LEU A 25 -0.968 -3.597 3.988 1.00 0.00 C ATOM 344 C LEU A 25 -1.254 -5.081 3.822 1.00 0.00 C ATOM 345 O LEU A 25 -2.235 -5.399 3.168 1.00 0.00 O ATOM 346 CB LEU A 25 -0.354 -3.052 2.697 1.00 0.00 C ATOM 347 CG LEU A 25 -0.466 -1.526 2.481 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.850 -1.216 1.902 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.232 -0.658 3.732 1.00 0.00 C ATOM 0 H LEU A 25 0.870 -3.060 4.799 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.927 -3.128 4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.701 -3.324 2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.828 -3.553 1.853 1.00 0.00 H new ATOM 0 HG LEU A 25 0.342 -1.262 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.946 -0.142 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.971 -1.735 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.619 -1.550 2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.334 0.395 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.967 -0.914 4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.771 -0.840 4.119 1.00 0.00 H new ATOM 361 N SER A 26 -0.444 -5.991 4.357 1.00 0.00 N ATOM 362 CA SER A 26 -0.742 -7.431 4.250 1.00 0.00 C ATOM 363 C SER A 26 -1.689 -7.935 5.362 1.00 0.00 C ATOM 364 O SER A 26 -2.037 -9.111 5.393 1.00 0.00 O ATOM 365 CB SER A 26 0.588 -8.183 4.215 1.00 0.00 C ATOM 366 OG SER A 26 0.457 -9.576 3.999 1.00 0.00 O ATOM 0 H SER A 26 0.413 -5.770 4.863 1.00 0.00 H new ATOM 0 HA SER A 26 -1.292 -7.621 3.328 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.212 -7.761 3.427 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.111 -8.020 5.157 1.00 0.00 H new ATOM 0 HG SER A 26 -0.391 -9.888 4.379 1.00 0.00 H new ATOM 372 N ALA A 27 -2.157 -7.059 6.267 1.00 0.00 N ATOM 373 CA ALA A 27 -2.875 -7.445 7.493 1.00 0.00 C ATOM 374 C ALA A 27 -4.319 -6.909 7.575 1.00 0.00 C ATOM 375 O ALA A 27 -5.001 -7.083 8.587 1.00 0.00 O ATOM 376 CB ALA A 27 -2.029 -6.945 8.672 1.00 0.00 C ATOM 0 H ALA A 27 -2.046 -6.050 6.166 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.994 -8.528 7.506 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.520 -7.207 9.609 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.044 -7.410 8.636 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.922 -5.862 8.609 1.00 0.00 H new ATOM 382 N LEU A 28 -4.777 -6.199 6.541 1.00 0.00 N ATOM 383 CA LEU A 28 -6.039 -5.460 6.569 1.00 0.00 C ATOM 384 C LEU A 28 -7.262 -6.383 6.534 1.00 0.00 C ATOM 385 O LEU A 28 -7.241 -7.453 5.922 1.00 0.00 O ATOM 386 CB LEU A 28 -6.101 -4.431 5.427 1.00 0.00 C ATOM 387 CG LEU A 28 -4.974 -3.385 5.481 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.754 -2.731 4.117 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.353 -2.300 6.488 1.00 0.00 C ATOM 0 H LEU A 28 -4.278 -6.121 5.655 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.069 -4.928 7.520 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.053 -4.956 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.063 -3.919 5.462 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.054 -3.889 5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.951 -1.997 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.483 -3.494 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.671 -2.235 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.560 -1.553 6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.283 -1.824 6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.487 -2.748 7.473 1.00 0.00 H new ATOM 401 N GLN A 29 -8.368 -5.911 7.115 1.00 0.00 N ATOM 402 CA GLN A 29 -9.626 -6.640 7.345 1.00 0.00 C ATOM 403 C GLN A 29 -10.474 -6.780 6.062 1.00 0.00 C ATOM 404 O GLN A 29 -11.667 -6.502 6.051 1.00 0.00 O ATOM 405 CB GLN A 29 -10.385 -5.940 8.486 1.00 0.00 C ATOM 406 CG GLN A 29 -9.596 -5.961 9.808 1.00 0.00 C ATOM 407 CD GLN A 29 -10.281 -5.145 10.899 1.00 0.00 C ATOM 408 OE1 GLN A 29 -10.723 -4.031 10.697 1.00 0.00 O ATOM 409 NE2 GLN A 29 -10.387 -5.654 12.106 1.00 0.00 N ATOM 0 H GLN A 29 -8.416 -4.952 7.460 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.402 -7.666 7.638 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.590 -4.907 8.204 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.349 -6.428 8.632 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.481 -6.991 10.145 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.594 -5.568 9.638 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.024 -6.587 12.300 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.833 -5.116 12.849 1.00 0.00 H new ATOM 418 N TYR A 30 -9.802 -7.197 4.987 1.00 0.00 N ATOM 419 CA TYR A 30 -10.232 -7.318 3.591 1.00 0.00 C ATOM 420 C TYR A 30 -9.099 -7.700 2.613 1.00 0.00 C ATOM 421 O TYR A 30 -9.414 -8.045 1.480 1.00 0.00 O ATOM 422 CB TYR A 30 -10.999 -6.066 3.100 1.00 0.00 C ATOM 423 CG TYR A 30 -10.484 -4.677 3.468 1.00 0.00 C ATOM 424 CD1 TYR A 30 -9.135 -4.298 3.285 1.00 0.00 C ATOM 425 CD2 TYR A 30 -11.402 -3.717 3.944 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.719 -2.989 3.590 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.992 -2.403 4.243 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.642 -2.033 4.069 1.00 0.00 C ATOM 429 OH TYR A 30 -9.239 -0.765 4.362 1.00 0.00 O ATOM 0 H TYR A 30 -8.831 -7.492 5.085 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.926 -8.159 3.588 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.048 -6.119 2.012 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -12.022 -6.144 3.469 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.421 -5.016 2.910 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -12.437 -3.994 4.081 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.684 -2.712 3.457 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.709 -1.681 4.604 1.00 0.00 H new ATOM 0 HH TYR A 30 -10.006 -0.243 4.678 1.00 0.00 H new ATOM 439 N VAL A 31 -7.804 -7.663 2.963 1.00 0.00 N ATOM 440 CA VAL A 31 -6.717 -7.922 1.988 1.00 0.00 C ATOM 441 C VAL A 31 -6.268 -9.389 1.999 1.00 0.00 C ATOM 442 O VAL A 31 -6.265 -10.042 3.037 1.00 0.00 O ATOM 443 CB VAL A 31 -5.567 -6.901 2.090 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.813 -7.056 3.385 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.568 -6.923 0.923 1.00 0.00 C ATOM 0 H VAL A 31 -7.478 -7.458 3.908 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.133 -7.760 0.994 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.069 -5.934 2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.008 -6.322 3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.492 -6.898 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.392 -8.060 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.798 -6.169 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.104 -7.907 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.092 -6.708 -0.008 1.00 0.00 H new ATOM 455 N SER A 32 -5.954 -9.923 0.817 1.00 0.00 N ATOM 456 CA SER A 32 -5.570 -11.327 0.587 1.00 0.00 C ATOM 457 C SER A 32 -4.078 -11.522 0.275 1.00 0.00 C ATOM 458 O SER A 32 -3.579 -12.640 0.382 1.00 0.00 O ATOM 459 CB SER A 32 -6.390 -11.849 -0.603 1.00 0.00 C ATOM 460 OG SER A 32 -7.733 -12.064 -0.210 1.00 0.00 O ATOM 0 H SER A 32 -5.959 -9.373 -0.042 1.00 0.00 H new ATOM 0 HA SER A 32 -5.768 -11.873 1.509 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.353 -11.132 -1.423 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.958 -12.779 -0.973 1.00 0.00 H new ATOM 0 HG SER A 32 -8.209 -12.541 -0.921 1.00 0.00 H new ATOM 466 N SER A 33 -3.365 -10.468 -0.130 1.00 0.00 N ATOM 467 CA SER A 33 -1.985 -10.481 -0.630 1.00 0.00 C ATOM 468 C SER A 33 -1.486 -9.066 -0.971 1.00 0.00 C ATOM 469 O SER A 33 -2.236 -8.091 -1.012 1.00 0.00 O ATOM 470 CB SER A 33 -1.861 -11.402 -1.856 1.00 0.00 C ATOM 471 OG SER A 33 -1.706 -12.751 -1.464 1.00 0.00 O ATOM 0 H SER A 33 -3.757 -9.527 -0.118 1.00 0.00 H new ATOM 0 HA SER A 33 -1.354 -10.870 0.169 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.748 -11.301 -2.482 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.008 -11.095 -2.461 1.00 0.00 H new ATOM 0 HG SER A 33 -2.136 -12.890 -0.594 1.00 0.00 H new ATOM 477 N ILE A 34 -0.194 -8.961 -1.254 1.00 0.00 N ATOM 478 CA ILE A 34 0.582 -7.742 -1.520 1.00 0.00 C ATOM 479 C ILE A 34 1.953 -8.118 -2.109 1.00 0.00 C ATOM 480 O ILE A 34 2.371 -9.262 -1.958 1.00 0.00 O ATOM 481 CB ILE A 34 0.762 -6.923 -0.205 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.046 -5.427 -0.499 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.792 -7.582 0.738 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.879 -4.669 0.532 1.00 0.00 C ATOM 0 H ILE A 34 0.394 -9.793 -1.310 1.00 0.00 H new ATOM 0 HA ILE A 34 0.045 -7.125 -2.241 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.183 -6.939 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.554 -5.360 -1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.090 -4.914 -0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.891 -6.984 1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.455 -8.585 1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.758 -7.643 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.005 -3.636 0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.371 -4.688 1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.857 -5.141 0.628 1.00 0.00 H new ATOM 496 N VAL A 35 2.624 -7.157 -2.743 1.00 0.00 N ATOM 497 CA VAL A 35 4.046 -7.146 -3.127 1.00 0.00 C ATOM 498 C VAL A 35 4.504 -5.697 -3.164 1.00 0.00 C ATOM 499 O VAL A 35 3.901 -4.878 -3.860 1.00 0.00 O ATOM 500 CB VAL A 35 4.335 -7.792 -4.505 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.683 -7.369 -5.134 1.00 0.00 C ATOM 502 CG2 VAL A 35 4.390 -9.317 -4.363 1.00 0.00 C ATOM 0 H VAL A 35 2.156 -6.296 -3.026 1.00 0.00 H new ATOM 0 HA VAL A 35 4.585 -7.742 -2.390 1.00 0.00 H new ATOM 0 HB VAL A 35 3.526 -7.450 -5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.807 -7.866 -6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.694 -6.289 -5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.499 -7.654 -4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.594 -9.766 -5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.182 -9.589 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.434 -9.682 -3.988 1.00 0.00 H new ATOM 512 N VAL A 36 5.601 -5.396 -2.478 1.00 0.00 N ATOM 513 CA VAL A 36 6.275 -4.093 -2.589 1.00 0.00 C ATOM 514 C VAL A 36 7.441 -4.127 -3.582 1.00 0.00 C ATOM 515 O VAL A 36 8.213 -5.077 -3.686 1.00 0.00 O ATOM 516 CB VAL A 36 6.690 -3.546 -1.212 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.683 -2.386 -1.290 1.00 0.00 C ATOM 518 CG2 VAL A 36 5.471 -2.962 -0.487 1.00 0.00 C ATOM 0 H VAL A 36 6.052 -6.041 -1.830 1.00 0.00 H new ATOM 0 HA VAL A 36 5.548 -3.392 -2.998 1.00 0.00 H new ATOM 0 HB VAL A 36 7.140 -4.396 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.931 -2.051 -0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.590 -2.717 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.237 -1.562 -1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.776 -2.578 0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.048 -2.152 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.721 -3.741 -0.351 1.00 0.00 H new ATOM 528 N SER A 37 7.580 -3.014 -4.304 1.00 0.00 N ATOM 529 CA SER A 37 8.712 -2.716 -5.170 1.00 0.00 C ATOM 530 C SER A 37 9.941 -2.338 -4.329 1.00 0.00 C ATOM 531 O SER A 37 10.187 -1.163 -4.080 1.00 0.00 O ATOM 532 CB SER A 37 8.336 -1.570 -6.118 1.00 0.00 C ATOM 533 OG SER A 37 7.088 -1.793 -6.755 1.00 0.00 O ATOM 0 H SER A 37 6.880 -2.272 -4.299 1.00 0.00 H new ATOM 0 HA SER A 37 8.961 -3.600 -5.757 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.295 -0.636 -5.558 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.113 -1.455 -6.874 1.00 0.00 H new ATOM 0 HG SER A 37 6.630 -0.937 -6.887 1.00 0.00 H new ATOM 539 N LEU A 38 10.707 -3.349 -3.914 1.00 0.00 N ATOM 540 CA LEU A 38 11.878 -3.326 -3.028 1.00 0.00 C ATOM 541 C LEU A 38 12.852 -2.186 -3.348 1.00 0.00 C ATOM 542 O LEU A 38 13.319 -1.498 -2.447 1.00 0.00 O ATOM 543 CB LEU A 38 12.502 -4.743 -3.149 1.00 0.00 C ATOM 544 CG LEU A 38 13.344 -5.319 -1.994 1.00 0.00 C ATOM 545 CD1 LEU A 38 14.745 -4.731 -1.959 1.00 0.00 C ATOM 546 CD2 LEU A 38 12.711 -5.110 -0.621 1.00 0.00 C ATOM 0 H LEU A 38 10.504 -4.301 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 38 11.600 -3.112 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.686 -5.441 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.130 -4.745 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 38 13.391 -6.388 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.302 -5.166 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.257 -4.954 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.683 -3.651 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.356 -5.539 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.588 -4.043 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.737 -5.598 -0.591 1.00 0.00 H new ATOM 558 N GLU A 39 13.121 -1.969 -4.633 1.00 0.00 N ATOM 559 CA GLU A 39 14.068 -0.980 -5.136 1.00 0.00 C ATOM 560 C GLU A 39 13.496 0.447 -5.272 1.00 0.00 C ATOM 561 O GLU A 39 14.193 1.400 -5.613 1.00 0.00 O ATOM 562 CB GLU A 39 14.520 -1.471 -6.528 1.00 0.00 C ATOM 563 CG GLU A 39 16.037 -1.603 -6.676 1.00 0.00 C ATOM 564 CD GLU A 39 16.676 -2.555 -5.668 1.00 0.00 C ATOM 565 OE1 GLU A 39 15.976 -3.389 -5.053 1.00 0.00 O ATOM 566 OE2 GLU A 39 17.882 -2.405 -5.379 1.00 0.00 O ATOM 0 H GLU A 39 12.668 -2.497 -5.379 1.00 0.00 H new ATOM 0 HA GLU A 39 14.881 -0.900 -4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.060 -2.438 -6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.150 -0.779 -7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.265 -1.950 -7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.490 -0.617 -6.568 1.00 0.00 H new ATOM 573 N ASN A 40 12.187 0.584 -5.110 1.00 0.00 N ATOM 574 CA ASN A 40 11.348 1.744 -5.423 1.00 0.00 C ATOM 575 C ASN A 40 10.470 2.108 -4.213 1.00 0.00 C ATOM 576 O ASN A 40 10.704 1.706 -3.075 1.00 0.00 O ATOM 577 CB ASN A 40 10.531 1.429 -6.699 1.00 0.00 C ATOM 578 CG ASN A 40 11.307 1.489 -8.018 1.00 0.00 C ATOM 579 OD1 ASN A 40 10.716 1.430 -9.085 1.00 0.00 O ATOM 580 ND2 ASN A 40 12.618 1.629 -8.012 1.00 0.00 N ATOM 0 H ASN A 40 11.632 -0.179 -4.722 1.00 0.00 H new ATOM 0 HA ASN A 40 11.958 2.624 -5.627 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.102 0.432 -6.596 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.698 2.130 -6.757 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.129 1.687 -8.893 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.121 1.679 -7.126 1.00 0.00 H new ATOM 587 N ARG A 41 9.524 3.012 -4.456 1.00 0.00 N ATOM 588 CA ARG A 41 8.650 3.635 -3.468 1.00 0.00 C ATOM 589 C ARG A 41 7.170 3.254 -3.662 1.00 0.00 C ATOM 590 O ARG A 41 6.283 4.081 -3.481 1.00 0.00 O ATOM 591 CB ARG A 41 8.933 5.144 -3.506 1.00 0.00 C ATOM 592 CG ARG A 41 8.587 5.813 -4.851 1.00 0.00 C ATOM 593 CD ARG A 41 9.680 6.779 -5.331 1.00 0.00 C ATOM 594 NE ARG A 41 9.261 8.196 -5.222 1.00 0.00 N ATOM 595 CZ ARG A 41 9.764 9.162 -4.459 1.00 0.00 C ATOM 596 NH1 ARG A 41 10.756 8.966 -3.610 1.00 0.00 N ATOM 597 NH2 ARG A 41 9.254 10.371 -4.529 1.00 0.00 N ATOM 0 H ARG A 41 9.337 3.347 -5.401 1.00 0.00 H new ATOM 0 HA ARG A 41 8.865 3.262 -2.466 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.364 5.630 -2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.988 5.311 -3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.432 5.042 -5.606 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.647 6.355 -4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.584 6.623 -4.743 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.931 6.555 -6.368 1.00 0.00 H new ATOM 0 HE ARG A 41 8.477 8.469 -5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.172 8.039 -3.517 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.106 9.741 -3.047 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.479 10.562 -5.164 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.633 11.119 -3.948 1.00 0.00 H new ATOM 611 N SER A 42 6.873 2.033 -4.112 1.00 0.00 N ATOM 612 CA SER A 42 5.525 1.599 -4.528 1.00 0.00 C ATOM 613 C SER A 42 5.145 0.170 -4.120 1.00 0.00 C ATOM 614 O SER A 42 6.000 -0.692 -3.933 1.00 0.00 O ATOM 615 CB SER A 42 5.403 1.669 -6.056 1.00 0.00 C ATOM 616 OG SER A 42 6.545 1.133 -6.710 1.00 0.00 O ATOM 0 H SER A 42 7.574 1.298 -4.202 1.00 0.00 H new ATOM 0 HA SER A 42 4.850 2.281 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.515 1.123 -6.373 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.265 2.706 -6.361 1.00 0.00 H new ATOM 0 HG SER A 42 6.425 1.195 -7.681 1.00 0.00 H new ATOM 622 N ALA A 43 3.836 -0.092 -4.090 1.00 0.00 N ATOM 623 CA ALA A 43 3.222 -1.345 -3.649 1.00 0.00 C ATOM 624 C ALA A 43 2.082 -1.761 -4.585 1.00 0.00 C ATOM 625 O ALA A 43 1.312 -0.921 -5.046 1.00 0.00 O ATOM 626 CB ALA A 43 2.681 -1.129 -2.225 1.00 0.00 C ATOM 0 H ALA A 43 3.144 0.596 -4.386 1.00 0.00 H new ATOM 0 HA ALA A 43 3.965 -2.142 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.216 -2.048 -1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.502 -0.857 -1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.941 -0.329 -2.234 1.00 0.00 H new ATOM 632 N ILE A 44 1.944 -3.062 -4.826 1.00 0.00 N ATOM 633 CA ILE A 44 0.801 -3.697 -5.489 1.00 0.00 C ATOM 634 C ILE A 44 0.099 -4.499 -4.393 1.00 0.00 C ATOM 635 O ILE A 44 0.727 -5.345 -3.756 1.00 0.00 O ATOM 636 CB ILE A 44 1.274 -4.586 -6.659 1.00 0.00 C ATOM 637 CG1 ILE A 44 2.000 -3.730 -7.727 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.064 -5.314 -7.276 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.716 -4.560 -8.798 1.00 0.00 C ATOM 0 H ILE A 44 2.658 -3.737 -4.553 1.00 0.00 H new ATOM 0 HA ILE A 44 0.120 -2.972 -5.936 1.00 0.00 H new ATOM 0 HB ILE A 44 1.979 -5.328 -6.284 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.274 -3.077 -8.211 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.727 -3.087 -7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.399 -5.941 -8.102 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.412 -5.936 -6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.653 -4.580 -7.645 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.201 -3.893 -9.511 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.466 -5.194 -8.326 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.991 -5.184 -9.320 1.00 0.00 H new ATOM 651 N VAL A 45 -1.173 -4.199 -4.146 1.00 0.00 N ATOM 652 CA VAL A 45 -1.954 -4.674 -2.996 1.00 0.00 C ATOM 653 C VAL A 45 -3.168 -5.431 -3.538 1.00 0.00 C ATOM 654 O VAL A 45 -3.887 -4.896 -4.382 1.00 0.00 O ATOM 655 CB VAL A 45 -2.423 -3.485 -2.127 1.00 0.00 C ATOM 656 CG1 VAL A 45 -3.040 -4.000 -0.816 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.315 -2.463 -1.799 1.00 0.00 C ATOM 0 H VAL A 45 -1.714 -3.594 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.340 -5.323 -2.372 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.164 -2.957 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.367 -3.154 -0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.895 -4.637 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.296 -4.574 -0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.729 -1.662 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.512 -2.959 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.920 -2.045 -2.725 1.00 0.00 H new ATOM 667 N VAL A 46 -3.396 -6.655 -3.061 1.00 0.00 N ATOM 668 CA VAL A 46 -4.358 -7.623 -3.609 1.00 0.00 C ATOM 669 C VAL A 46 -5.418 -7.937 -2.546 1.00 0.00 C ATOM 670 O VAL A 46 -5.156 -8.661 -1.589 1.00 0.00 O ATOM 671 CB VAL A 46 -3.611 -8.916 -4.024 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.533 -9.987 -4.624 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.413 -8.659 -4.962 1.00 0.00 C ATOM 0 H VAL A 46 -2.897 -7.018 -2.249 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.848 -7.204 -4.488 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.218 -9.306 -3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.945 -10.865 -4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.290 -10.267 -3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.020 -9.590 -5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.937 -9.607 -5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.763 -8.177 -5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.692 -8.012 -4.463 1.00 0.00 H new ATOM 683 N TYR A 47 -6.614 -7.363 -2.683 1.00 0.00 N ATOM 684 CA TYR A 47 -7.673 -7.389 -1.661 1.00 0.00 C ATOM 685 C TYR A 47 -8.962 -8.073 -2.149 1.00 0.00 C ATOM 686 O TYR A 47 -9.210 -8.154 -3.343 1.00 0.00 O ATOM 687 CB TYR A 47 -7.935 -5.962 -1.152 1.00 0.00 C ATOM 688 CG TYR A 47 -8.551 -5.028 -2.174 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.732 -4.337 -3.088 1.00 0.00 C ATOM 690 CD2 TYR A 47 -9.947 -4.855 -2.213 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.299 -3.451 -4.023 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.523 -4.021 -3.192 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.699 -3.295 -4.081 1.00 0.00 C ATOM 694 OH TYR A 47 -10.255 -2.441 -4.984 1.00 0.00 O ATOM 0 H TYR A 47 -6.884 -6.854 -3.525 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.321 -8.001 -0.831 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.594 -6.015 -0.285 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.993 -5.534 -0.810 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.663 -4.488 -3.071 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.575 -5.360 -1.494 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.664 -2.892 -4.694 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.597 -3.937 -3.263 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.230 -2.455 -4.890 1.00 0.00 H new ATOM 704 N ASN A 48 -9.788 -8.582 -1.236 1.00 0.00 N ATOM 705 CA ASN A 48 -10.973 -9.394 -1.548 1.00 0.00 C ATOM 706 C ASN A 48 -12.258 -8.604 -1.293 1.00 0.00 C ATOM 707 O ASN A 48 -12.419 -8.035 -0.212 1.00 0.00 O ATOM 708 CB ASN A 48 -10.934 -10.669 -0.701 1.00 0.00 C ATOM 709 CG ASN A 48 -12.018 -11.656 -1.108 1.00 0.00 C ATOM 710 OD1 ASN A 48 -13.188 -11.488 -0.800 1.00 0.00 O ATOM 711 ND2 ASN A 48 -11.645 -12.696 -1.828 1.00 0.00 N ATOM 0 H ASN A 48 -9.653 -8.441 -0.235 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.964 -9.662 -2.605 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.957 -11.142 -0.802 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.056 -10.410 0.351 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.338 -13.377 -2.138 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.663 -12.819 -2.075 1.00 0.00 H new ATOM 718 N ALA A 49 -13.154 -8.550 -2.286 1.00 0.00 N ATOM 719 CA ALA A 49 -14.296 -7.638 -2.280 1.00 0.00 C ATOM 720 C ALA A 49 -15.199 -7.783 -3.512 1.00 0.00 C ATOM 721 O ALA A 49 -14.711 -7.890 -4.631 1.00 0.00 O ATOM 722 CB ALA A 49 -13.738 -6.204 -2.274 1.00 0.00 C ATOM 0 H ALA A 49 -13.104 -9.140 -3.116 1.00 0.00 H new ATOM 0 HA ALA A 49 -14.902 -7.871 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.564 -5.492 -2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.126 -6.055 -1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.129 -6.047 -3.164 1.00 0.00 H new ATOM 728 N SER A 50 -16.519 -7.665 -3.331 1.00 0.00 N ATOM 729 CA SER A 50 -17.450 -7.484 -4.463 1.00 0.00 C ATOM 730 C SER A 50 -17.270 -6.082 -5.082 1.00 0.00 C ATOM 731 O SER A 50 -17.435 -5.895 -6.281 1.00 0.00 O ATOM 732 CB SER A 50 -18.904 -7.648 -3.992 1.00 0.00 C ATOM 733 OG SER A 50 -19.071 -8.758 -3.123 1.00 0.00 O ATOM 0 H SER A 50 -16.971 -7.691 -2.417 1.00 0.00 H new ATOM 0 HA SER A 50 -17.228 -8.243 -5.213 1.00 0.00 H new ATOM 0 HB2 SER A 50 -19.222 -6.739 -3.481 1.00 0.00 H new ATOM 0 HB3 SER A 50 -19.552 -7.769 -4.860 1.00 0.00 H new ATOM 0 HG SER A 50 -20.010 -8.821 -2.849 1.00 0.00 H new ATOM 739 N SER A 51 -16.891 -5.113 -4.245 1.00 0.00 N ATOM 740 CA SER A 51 -16.409 -3.759 -4.525 1.00 0.00 C ATOM 741 C SER A 51 -16.050 -3.087 -3.182 1.00 0.00 C ATOM 742 O SER A 51 -16.361 -3.643 -2.131 1.00 0.00 O ATOM 743 CB SER A 51 -17.398 -2.925 -5.348 1.00 0.00 C ATOM 744 OG SER A 51 -16.773 -1.713 -5.744 1.00 0.00 O ATOM 0 H SER A 51 -16.918 -5.279 -3.239 1.00 0.00 H new ATOM 0 HA SER A 51 -15.521 -3.824 -5.153 1.00 0.00 H new ATOM 0 HB2 SER A 51 -17.721 -3.485 -6.226 1.00 0.00 H new ATOM 0 HB3 SER A 51 -18.290 -2.712 -4.759 1.00 0.00 H new ATOM 0 HG SER A 51 -17.402 -1.178 -6.272 1.00 0.00 H new ATOM 750 N VAL A 52 -15.377 -1.932 -3.231 1.00 0.00 N ATOM 751 CA VAL A 52 -14.765 -1.113 -2.148 1.00 0.00 C ATOM 752 C VAL A 52 -13.664 -0.232 -2.762 1.00 0.00 C ATOM 753 O VAL A 52 -13.065 -0.597 -3.778 1.00 0.00 O ATOM 754 CB VAL A 52 -14.254 -1.889 -0.892 1.00 0.00 C ATOM 755 CG1 VAL A 52 -13.095 -2.839 -1.215 1.00 0.00 C ATOM 756 CG2 VAL A 52 -13.810 -0.949 0.246 1.00 0.00 C ATOM 0 H VAL A 52 -15.223 -1.485 -4.135 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.572 -0.508 -1.736 1.00 0.00 H new ATOM 0 HB VAL A 52 -15.113 -2.472 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.780 -3.351 -0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -13.421 -3.574 -1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.258 -2.268 -1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.465 -1.541 1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.999 -0.310 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.652 -0.330 0.556 1.00 0.00 H new ATOM 766 N THR A 53 -13.439 0.949 -2.183 1.00 0.00 N ATOM 767 CA THR A 53 -12.595 2.010 -2.742 1.00 0.00 C ATOM 768 C THR A 53 -11.094 1.725 -2.543 1.00 0.00 C ATOM 769 O THR A 53 -10.684 1.535 -1.397 1.00 0.00 O ATOM 770 CB THR A 53 -12.954 3.345 -2.071 1.00 0.00 C ATOM 771 OG1 THR A 53 -14.339 3.425 -1.831 1.00 0.00 O ATOM 772 CG2 THR A 53 -12.604 4.525 -2.971 1.00 0.00 C ATOM 0 H THR A 53 -13.851 1.202 -1.285 1.00 0.00 H new ATOM 0 HA THR A 53 -12.782 2.055 -3.815 1.00 0.00 H new ATOM 0 HB THR A 53 -12.388 3.386 -1.140 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.548 4.281 -1.402 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.869 5.456 -2.470 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.534 4.518 -3.181 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.158 4.446 -3.906 1.00 0.00 H new ATOM 780 N PRO A 54 -10.235 1.825 -3.583 1.00 0.00 N ATOM 781 CA PRO A 54 -8.775 1.724 -3.436 1.00 0.00 C ATOM 782 C PRO A 54 -8.180 2.834 -2.552 1.00 0.00 C ATOM 783 O PRO A 54 -7.100 2.643 -1.998 1.00 0.00 O ATOM 784 CB PRO A 54 -8.218 1.765 -4.862 1.00 0.00 C ATOM 785 CG PRO A 54 -9.279 2.533 -5.644 1.00 0.00 C ATOM 786 CD PRO A 54 -10.576 2.084 -4.975 1.00 0.00 C ATOM 0 HA PRO A 54 -8.502 0.803 -2.921 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.251 2.267 -4.900 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.072 0.762 -5.264 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.136 3.611 -5.569 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.262 2.282 -6.705 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.343 2.854 -5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.973 1.189 -5.453 1.00 0.00 H new ATOM 794 N GLU A 55 -8.890 3.956 -2.354 1.00 0.00 N ATOM 795 CA GLU A 55 -8.542 4.999 -1.375 1.00 0.00 C ATOM 796 C GLU A 55 -8.279 4.424 0.019 1.00 0.00 C ATOM 797 O GLU A 55 -7.424 4.951 0.722 1.00 0.00 O ATOM 798 CB GLU A 55 -9.640 6.091 -1.365 1.00 0.00 C ATOM 799 CG GLU A 55 -10.311 6.538 -0.054 1.00 0.00 C ATOM 800 CD GLU A 55 -9.493 7.481 0.826 1.00 0.00 C ATOM 801 OE1 GLU A 55 -8.751 8.359 0.316 1.00 0.00 O ATOM 802 OE2 GLU A 55 -9.644 7.401 2.063 1.00 0.00 O ATOM 0 H GLU A 55 -9.738 4.168 -2.880 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.603 5.459 -1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.207 6.982 -1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.435 5.749 -2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.254 7.027 -0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.555 5.649 0.528 1.00 0.00 H new ATOM 809 N SER A 56 -8.947 3.339 0.429 1.00 0.00 N ATOM 810 CA SER A 56 -8.813 2.832 1.784 1.00 0.00 C ATOM 811 C SER A 56 -7.453 2.153 2.007 1.00 0.00 C ATOM 812 O SER A 56 -6.868 2.231 3.090 1.00 0.00 O ATOM 813 CB SER A 56 -9.903 1.797 2.058 1.00 0.00 C ATOM 814 OG SER A 56 -11.158 2.159 1.512 1.00 0.00 O ATOM 0 H SER A 56 -9.582 2.802 -0.162 1.00 0.00 H new ATOM 0 HA SER A 56 -8.901 3.685 2.457 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.596 0.836 1.645 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.006 1.662 3.135 1.00 0.00 H new ATOM 0 HG SER A 56 -11.189 1.903 0.566 1.00 0.00 H new ATOM 820 N LEU A 57 -6.935 1.480 0.968 1.00 0.00 N ATOM 821 CA LEU A 57 -5.588 0.913 0.988 1.00 0.00 C ATOM 822 C LEU A 57 -4.554 2.037 0.930 1.00 0.00 C ATOM 823 O LEU A 57 -3.616 2.021 1.719 1.00 0.00 O ATOM 824 CB LEU A 57 -5.369 -0.051 -0.183 1.00 0.00 C ATOM 825 CG LEU A 57 -6.302 -1.270 -0.318 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.798 -2.084 -1.519 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.359 -2.180 0.919 1.00 0.00 C ATOM 0 H LEU A 57 -7.439 1.317 0.097 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.472 0.351 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.442 0.526 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.346 -0.422 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.318 -0.895 -0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.430 -2.961 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.835 -1.468 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.771 -2.401 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.040 -3.009 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.363 -2.570 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.714 -1.607 1.776 1.00 0.00 H new ATOM 839 N ARG A 58 -4.759 3.046 0.070 1.00 0.00 N ATOM 840 CA ARG A 58 -3.926 4.253 0.019 1.00 0.00 C ATOM 841 C ARG A 58 -3.815 4.900 1.409 1.00 0.00 C ATOM 842 O ARG A 58 -2.714 5.225 1.847 1.00 0.00 O ATOM 843 CB ARG A 58 -4.488 5.218 -1.041 1.00 0.00 C ATOM 844 CG ARG A 58 -3.428 6.174 -1.616 1.00 0.00 C ATOM 845 CD ARG A 58 -3.657 7.643 -1.263 1.00 0.00 C ATOM 846 NE ARG A 58 -4.867 8.165 -1.925 1.00 0.00 N ATOM 847 CZ ARG A 58 -5.948 8.576 -1.281 1.00 0.00 C ATOM 848 NH1 ARG A 58 -5.943 8.844 -0.002 1.00 0.00 N ATOM 849 NH2 ARG A 58 -7.105 8.682 -1.890 1.00 0.00 N ATOM 0 H ARG A 58 -5.515 3.045 -0.615 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.911 3.987 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.925 4.639 -1.855 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.294 5.804 -0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.446 5.872 -1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.411 6.070 -2.701 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.755 7.750 -0.183 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.791 8.232 -1.564 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.871 8.212 -2.944 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.084 8.739 0.538 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.798 9.158 0.457 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.184 8.446 -2.879 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.925 9.001 -1.374 1.00 0.00 H new ATOM 863 N LYS A 59 -4.922 4.967 2.156 1.00 0.00 N ATOM 864 CA LYS A 59 -4.959 5.339 3.570 1.00 0.00 C ATOM 865 C LYS A 59 -4.227 4.387 4.514 1.00 0.00 C ATOM 866 O LYS A 59 -3.536 4.892 5.392 1.00 0.00 O ATOM 867 CB LYS A 59 -6.425 5.525 3.994 1.00 0.00 C ATOM 868 CG LYS A 59 -6.798 7.002 4.121 1.00 0.00 C ATOM 869 CD LYS A 59 -6.473 7.842 2.880 1.00 0.00 C ATOM 870 CE LYS A 59 -6.858 9.310 3.105 1.00 0.00 C ATOM 871 NZ LYS A 59 -8.302 9.525 2.856 1.00 0.00 N ATOM 0 H LYS A 59 -5.846 4.756 1.779 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.405 6.273 3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.078 5.047 3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.594 5.025 4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.865 7.079 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.275 7.425 4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.409 7.770 2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.010 7.448 2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.614 9.601 4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.272 9.949 2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.665 10.242 3.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.441 9.852 1.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.816 8.632 2.999 1.00 0.00 H new ATOM 885 N ALA A 60 -4.288 3.062 4.343 1.00 0.00 N ATOM 886 CA ALA A 60 -3.455 2.154 5.140 1.00 0.00 C ATOM 887 C ALA A 60 -1.949 2.422 4.943 1.00 0.00 C ATOM 888 O ALA A 60 -1.166 2.277 5.877 1.00 0.00 O ATOM 889 CB ALA A 60 -3.828 0.712 4.799 1.00 0.00 C ATOM 0 H ALA A 60 -4.897 2.599 3.669 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.650 2.333 6.197 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.214 0.029 5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.880 0.544 5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.656 0.533 3.738 1.00 0.00 H new ATOM 895 N ILE A 61 -1.553 2.884 3.751 1.00 0.00 N ATOM 896 CA ILE A 61 -0.194 3.377 3.480 1.00 0.00 C ATOM 897 C ILE A 61 0.055 4.738 4.160 1.00 0.00 C ATOM 898 O ILE A 61 0.921 4.829 5.032 1.00 0.00 O ATOM 899 CB ILE A 61 0.128 3.378 1.958 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.256 2.067 1.241 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.633 3.587 1.775 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.153 2.073 -0.284 1.00 0.00 C ATOM 0 H ILE A 61 -2.170 2.927 2.940 1.00 0.00 H new ATOM 0 HA ILE A 61 0.513 2.679 3.929 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.464 4.179 1.516 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.380 1.269 1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.281 1.816 1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.873 3.590 0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.924 4.541 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.175 2.780 2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.448 1.098 -0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.812 2.840 -0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.875 2.285 -0.578 1.00 0.00 H new ATOM 914 N GLU A 62 -0.740 5.770 3.850 1.00 0.00 N ATOM 915 CA GLU A 62 -0.649 7.112 4.450 1.00 0.00 C ATOM 916 C GLU A 62 -0.730 7.102 5.989 1.00 0.00 C ATOM 917 O GLU A 62 -0.252 8.038 6.622 1.00 0.00 O ATOM 918 CB GLU A 62 -1.708 8.063 3.833 1.00 0.00 C ATOM 919 CG GLU A 62 -1.367 8.340 2.364 1.00 0.00 C ATOM 920 CD GLU A 62 -2.259 9.272 1.530 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.515 9.207 1.630 1.00 0.00 O ATOM 922 OE2 GLU A 62 -1.648 9.931 0.647 1.00 0.00 O ATOM 0 H GLU A 62 -1.485 5.695 3.157 1.00 0.00 H new ATOM 0 HA GLU A 62 0.344 7.492 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.699 7.615 3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.738 8.999 4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.357 8.749 2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.335 7.378 1.852 1.00 0.00 H new ATOM 929 N ALA A 63 -1.235 6.027 6.605 1.00 0.00 N ATOM 930 CA ALA A 63 -1.278 5.831 8.055 1.00 0.00 C ATOM 931 C ALA A 63 -0.082 5.073 8.662 1.00 0.00 C ATOM 932 O ALA A 63 -0.021 4.947 9.882 1.00 0.00 O ATOM 933 CB ALA A 63 -2.611 5.155 8.407 1.00 0.00 C ATOM 0 H ALA A 63 -1.638 5.245 6.089 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.201 6.819 8.509 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.666 4.998 9.484 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.437 5.792 8.090 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.678 4.194 7.897 1.00 0.00 H new ATOM 939 N VAL A 64 0.883 4.634 7.848 1.00 0.00 N ATOM 940 CA VAL A 64 2.111 3.944 8.306 1.00 0.00 C ATOM 941 C VAL A 64 3.239 4.937 8.568 1.00 0.00 C ATOM 942 O VAL A 64 4.085 4.717 9.430 1.00 0.00 O ATOM 943 CB VAL A 64 2.580 2.814 7.352 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.546 3.198 6.244 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.311 1.738 8.167 1.00 0.00 C ATOM 0 H VAL A 64 0.840 4.746 6.835 1.00 0.00 H new ATOM 0 HA VAL A 64 1.845 3.459 9.245 1.00 0.00 H new ATOM 0 HB VAL A 64 1.654 2.493 6.875 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.791 2.316 5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.084 3.948 5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.457 3.607 6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.643 0.941 7.502 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.175 2.181 8.662 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.635 1.327 8.916 1.00 0.00 H new ATOM 955 N SER A 65 3.253 6.058 7.845 1.00 0.00 N ATOM 956 CA SER A 65 4.122 7.186 8.157 1.00 0.00 C ATOM 957 C SER A 65 3.481 8.529 7.750 1.00 0.00 C ATOM 958 O SER A 65 3.974 9.201 6.843 1.00 0.00 O ATOM 959 CB SER A 65 5.545 6.972 7.626 1.00 0.00 C ATOM 960 OG SER A 65 5.955 5.617 7.491 1.00 0.00 O ATOM 0 H SER A 65 2.661 6.206 7.028 1.00 0.00 H new ATOM 0 HA SER A 65 4.232 7.242 9.240 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.627 7.456 6.653 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.242 7.479 8.293 1.00 0.00 H new ATOM 0 HG SER A 65 6.068 5.402 6.541 1.00 0.00 H new ATOM 966 N PRO A 66 2.362 8.916 8.392 1.00 0.00 N ATOM 967 CA PRO A 66 1.625 10.138 8.086 1.00 0.00 C ATOM 968 C PRO A 66 2.494 11.390 8.194 1.00 0.00 C ATOM 969 O PRO A 66 3.449 11.439 8.966 1.00 0.00 O ATOM 970 CB PRO A 66 0.418 10.171 9.037 1.00 0.00 C ATOM 971 CG PRO A 66 0.735 9.121 10.103 1.00 0.00 C ATOM 972 CD PRO A 66 1.620 8.128 9.356 1.00 0.00 C ATOM 0 HA PRO A 66 1.292 10.134 7.048 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.290 11.159 9.480 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.507 9.935 8.511 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.251 9.557 10.958 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -0.170 8.648 10.484 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.293 7.611 10.040 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.021 7.365 8.860 1.00 0.00 H new ATOM 980 N GLY A 67 2.175 12.399 7.376 1.00 0.00 N ATOM 981 CA GLY A 67 2.957 13.632 7.227 1.00 0.00 C ATOM 982 C GLY A 67 4.127 13.470 6.253 1.00 0.00 C ATOM 983 O GLY A 67 4.328 14.334 5.406 1.00 0.00 O ATOM 0 H GLY A 67 1.345 12.381 6.784 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.305 14.432 6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.339 13.936 8.201 1.00 0.00 H new ATOM 987 N LEU A 68 4.867 12.363 6.354 1.00 0.00 N ATOM 988 CA LEU A 68 5.924 11.965 5.418 1.00 0.00 C ATOM 989 C LEU A 68 5.320 11.384 4.132 1.00 0.00 C ATOM 990 O LEU A 68 5.762 11.672 3.019 1.00 0.00 O ATOM 991 CB LEU A 68 6.804 10.942 6.149 1.00 0.00 C ATOM 992 CG LEU A 68 7.908 10.323 5.279 1.00 0.00 C ATOM 993 CD1 LEU A 68 9.053 11.307 5.039 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.429 9.089 6.001 1.00 0.00 C ATOM 0 H LEU A 68 4.743 11.696 7.115 1.00 0.00 H new ATOM 0 HA LEU A 68 6.523 12.822 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.265 11.426 7.010 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.170 10.143 6.534 1.00 0.00 H new ATOM 0 HG LEU A 68 7.497 10.063 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.815 10.834 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.671 12.193 4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.490 11.597 5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.217 8.625 5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.830 9.378 6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.614 8.379 6.141 1.00 0.00 H new ATOM 1006 N TYR A 69 4.322 10.517 4.296 1.00 0.00 N ATOM 1007 CA TYR A 69 3.764 9.707 3.227 1.00 0.00 C ATOM 1008 C TYR A 69 2.752 10.459 2.367 1.00 0.00 C ATOM 1009 O TYR A 69 1.555 10.494 2.637 1.00 0.00 O ATOM 1010 CB TYR A 69 3.147 8.411 3.768 1.00 0.00 C ATOM 1011 CG TYR A 69 4.110 7.255 3.938 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.482 7.425 4.216 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.608 5.964 3.741 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.326 6.306 4.360 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.446 4.850 3.797 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.799 5.007 4.158 1.00 0.00 C ATOM 1017 OH TYR A 69 6.552 3.895 4.354 1.00 0.00 O ATOM 0 H TYR A 69 3.873 10.359 5.198 1.00 0.00 H new ATOM 0 HA TYR A 69 4.604 9.454 2.580 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.686 8.623 4.733 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.348 8.100 3.095 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.889 8.420 4.319 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.555 5.828 3.542 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.365 6.438 4.622 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.058 3.869 3.564 1.00 0.00 H new ATOM 0 HH TYR A 69 7.487 4.154 4.496 1.00 0.00 H new ATOM 1027 N ARG A 70 3.261 11.003 1.270 1.00 0.00 N ATOM 1028 CA ARG A 70 2.491 11.483 0.134 1.00 0.00 C ATOM 1029 C ARG A 70 2.104 10.215 -0.637 1.00 0.00 C ATOM 1030 O ARG A 70 3.022 9.652 -1.222 1.00 0.00 O ATOM 1031 CB ARG A 70 3.497 12.326 -0.666 1.00 0.00 C ATOM 1032 CG ARG A 70 3.027 13.135 -1.873 1.00 0.00 C ATOM 1033 CD ARG A 70 2.074 12.411 -2.818 1.00 0.00 C ATOM 1034 NE ARG A 70 2.327 12.784 -4.208 1.00 0.00 N ATOM 1035 CZ ARG A 70 1.473 12.867 -5.207 1.00 0.00 C ATOM 1036 NH1 ARG A 70 0.167 12.911 -5.030 1.00 0.00 N ATOM 1037 NH2 ARG A 70 1.987 12.874 -6.414 1.00 0.00 N ATOM 0 H ARG A 70 4.266 11.126 1.144 1.00 0.00 H new ATOM 0 HA ARG A 70 1.599 12.065 0.365 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.961 13.024 0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.281 11.653 -1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.537 14.040 -1.513 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.903 13.451 -2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.189 11.334 -2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.044 12.652 -2.555 1.00 0.00 H new ATOM 0 HE ARG A 70 3.295 13.011 -4.435 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.221 12.881 -4.087 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.455 12.975 -5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.998 12.817 -6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.376 12.937 -7.228 1.00 0.00 H new ATOM 1051 N VAL A 71 0.860 9.733 -0.721 1.00 0.00 N ATOM 1052 CA VAL A 71 0.598 8.513 -1.530 1.00 0.00 C ATOM 1053 C VAL A 71 -0.319 8.802 -2.714 1.00 0.00 C ATOM 1054 O VAL A 71 -1.193 9.666 -2.680 1.00 0.00 O ATOM 1055 CB VAL A 71 0.129 7.311 -0.686 1.00 0.00 C ATOM 1056 CG1 VAL A 71 0.187 5.986 -1.474 1.00 0.00 C ATOM 1057 CG2 VAL A 71 1.062 7.126 0.520 1.00 0.00 C ATOM 0 H VAL A 71 0.043 10.139 -0.265 1.00 0.00 H new ATOM 0 HA VAL A 71 1.559 8.210 -1.945 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.898 7.527 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.153 5.169 -0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.457 6.055 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.212 5.796 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.726 6.275 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.078 6.945 0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.045 8.026 1.135 1.00 0.00 H new ATOM 1067 N SER A 72 -0.083 8.075 -3.803 1.00 0.00 N ATOM 1068 CA SER A 72 -0.814 8.172 -5.059 1.00 0.00 C ATOM 1069 C SER A 72 -1.221 6.774 -5.539 1.00 0.00 C ATOM 1070 O SER A 72 -0.600 5.788 -5.155 1.00 0.00 O ATOM 1071 CB SER A 72 0.095 8.817 -6.113 1.00 0.00 C ATOM 1072 OG SER A 72 0.898 9.853 -5.578 1.00 0.00 O ATOM 0 H SER A 72 0.656 7.372 -3.833 1.00 0.00 H new ATOM 0 HA SER A 72 -1.710 8.775 -4.910 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.738 8.053 -6.550 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.518 9.217 -6.920 1.00 0.00 H new ATOM 0 HG SER A 72 1.460 10.231 -6.287 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.240 6.663 -6.391 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.575 5.429 -7.123 1.00 0.00 C ATOM 1080 C ILE A 73 -1.890 5.547 -8.485 1.00 0.00 C ATOM 1081 O ILE A 73 -2.112 6.551 -9.163 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.113 5.280 -7.269 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.814 5.359 -5.889 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.466 3.959 -7.981 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.340 5.215 -5.919 1.00 0.00 C ATOM 0 H ILE A 73 -2.870 7.438 -6.599 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.232 4.540 -6.593 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.474 6.108 -7.879 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.405 4.579 -5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.565 6.315 -5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.549 3.874 -8.073 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.015 3.949 -8.973 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.084 3.119 -7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.732 5.284 -4.904 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.769 6.010 -6.529 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.606 4.248 -6.345 1.00 0.00 H new ATOM 1097 N THR A 74 -1.057 4.572 -8.871 1.00 0.00 N ATOM 1098 CA THR A 74 -0.439 4.527 -10.202 1.00 0.00 C ATOM 1099 C THR A 74 -1.012 3.354 -10.993 1.00 0.00 C ATOM 1100 O THR A 74 -0.764 2.187 -10.704 1.00 0.00 O ATOM 1101 CB THR A 74 1.092 4.587 -10.110 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.602 4.743 -11.409 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.789 3.404 -9.439 1.00 0.00 C ATOM 0 H THR A 74 -0.793 3.792 -8.269 1.00 0.00 H new ATOM 0 HA THR A 74 -0.696 5.419 -10.774 1.00 0.00 H new ATOM 0 HB THR A 74 1.306 5.431 -9.454 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.580 4.785 -11.373 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.866 3.569 -9.438 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.436 3.308 -8.412 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.563 2.490 -9.987 1.00 0.00 H new ATOM 1111 N SER A 75 -1.834 3.690 -11.980 1.00 0.00 N ATOM 1112 CA SER A 75 -2.550 2.755 -12.854 1.00 0.00 C ATOM 1113 C SER A 75 -2.464 3.209 -14.319 1.00 0.00 C ATOM 1114 O SER A 75 -2.207 4.383 -14.595 1.00 0.00 O ATOM 1115 CB SER A 75 -4.035 2.698 -12.455 1.00 0.00 C ATOM 1116 OG SER A 75 -4.217 2.092 -11.185 1.00 0.00 O ATOM 0 H SER A 75 -2.032 4.665 -12.207 1.00 0.00 H new ATOM 0 HA SER A 75 -2.089 1.773 -12.746 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.446 3.708 -12.438 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.592 2.140 -13.207 1.00 0.00 H new ATOM 0 HG SER A 75 -5.172 2.075 -10.964 1.00 0.00 H new ATOM 1122 N GLU A 76 -2.732 2.308 -15.271 1.00 0.00 N ATOM 1123 CA GLU A 76 -2.898 2.712 -16.665 1.00 0.00 C ATOM 1124 C GLU A 76 -4.217 3.485 -16.795 1.00 0.00 C ATOM 1125 O GLU A 76 -5.302 2.947 -16.567 1.00 0.00 O ATOM 1126 CB GLU A 76 -2.861 1.508 -17.614 1.00 0.00 C ATOM 1127 CG GLU A 76 -2.711 1.961 -19.074 1.00 0.00 C ATOM 1128 CD GLU A 76 -3.057 0.806 -20.008 1.00 0.00 C ATOM 1129 OE1 GLU A 76 -4.275 0.615 -20.239 1.00 0.00 O ATOM 1130 OE2 GLU A 76 -2.124 0.101 -20.434 1.00 0.00 O ATOM 0 H GLU A 76 -2.837 1.308 -15.102 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.066 3.355 -16.954 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.031 0.854 -17.345 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.775 0.925 -17.503 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.366 2.810 -19.271 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.690 2.297 -19.258 1.00 0.00 H new ATOM 1137 N VAL A 77 -4.092 4.752 -17.161 1.00 0.00 N ATOM 1138 CA VAL A 77 -5.169 5.708 -17.446 1.00 0.00 C ATOM 1139 C VAL A 77 -4.751 6.592 -18.625 1.00 0.00 C ATOM 1140 O VAL A 77 -3.613 6.504 -19.086 1.00 0.00 O ATOM 1141 CB VAL A 77 -5.538 6.565 -16.208 1.00 0.00 C ATOM 1142 CG1 VAL A 77 -6.114 5.715 -15.061 1.00 0.00 C ATOM 1143 CG2 VAL A 77 -4.351 7.385 -15.669 1.00 0.00 C ATOM 0 H VAL A 77 -3.172 5.176 -17.277 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.067 5.148 -17.707 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.303 7.255 -16.565 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.357 6.360 -14.217 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.017 5.208 -15.402 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.377 4.974 -14.751 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.672 7.964 -14.803 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.546 6.711 -15.377 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.994 8.062 -16.445 1.00 0.00 H new TER 1153 VAL A 77