USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 381 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: B 5 HIS : no HE2:sc= -5.28! C(o=-9.6!,f=-9!) USER MOD Set 1.2: B 10 HIS : no HE2:sc= -4.37! C(o=-9.6!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.937 K(o=-0.94,f=-0.093) USER MOD Single : A 8 THR OG1 : rot -73:sc= -0.406! USER MOD Single : A 9 SER OG : rot -71:sc= 1.04 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.366 K(o=-0.37,f=-3.5!) USER MOD Single : A 18 ASN : amide:sc= -0.0777 X(o=-0.078,f=-0.33) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 142:sc= 1.34 (180deg=0.229) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 60:sc= -0.94 USER MOD Single : B 27 THR OG1 : rot -85:sc= 1.24 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 31:sc= 0.506 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.724 17.044 6.188 1.00 0.00 N ATOM 2 CA GLY A 1 4.372 16.899 4.708 1.00 0.00 C ATOM 3 C GLY A 1 5.420 16.451 3.746 1.00 0.00 C ATOM 4 O GLY A 1 5.434 16.852 2.599 1.00 0.00 O ATOM 0 H1 GLY A 1 3.886 17.363 6.715 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.039 16.126 6.561 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.487 17.742 6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.541 16.197 4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.003 17.865 4.363 1.00 0.00 H new ATOM 10 N ILE A 2 6.321 15.616 4.183 1.00 0.00 N ATOM 11 CA ILE A 2 7.396 15.134 3.269 1.00 0.00 C ATOM 12 C ILE A 2 6.837 14.047 2.349 1.00 0.00 C ATOM 13 O ILE A 2 6.225 13.096 2.795 1.00 0.00 O ATOM 14 CB ILE A 2 8.547 14.560 4.092 1.00 0.00 C ATOM 15 CG1 ILE A 2 8.933 15.554 5.189 1.00 0.00 C ATOM 16 CG2 ILE A 2 9.751 14.313 3.182 1.00 0.00 C ATOM 17 CD1 ILE A 2 8.663 14.932 6.561 1.00 0.00 C ATOM 0 H ILE A 2 6.360 15.246 5.133 1.00 0.00 H new ATOM 0 HA ILE A 2 7.759 15.967 2.668 1.00 0.00 H new ATOM 0 HB ILE A 2 8.236 13.619 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 2 9.986 15.819 5.099 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.361 16.475 5.077 1.00 0.00 H new ATOM 0 HG21 ILE A 2 10.573 13.903 3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 2 9.476 13.606 2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 2 10.063 15.254 2.728 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.938 15.641 7.342 1.00 0.00 H new ATOM 0 HD12 ILE A 2 7.604 14.689 6.648 1.00 0.00 H new ATOM 0 HD13 ILE A 2 9.254 14.023 6.671 1.00 0.00 H new ATOM 29 N VAL A 3 7.043 14.178 1.067 1.00 0.00 N ATOM 30 CA VAL A 3 6.528 13.158 0.119 1.00 0.00 C ATOM 31 C VAL A 3 7.345 11.870 0.256 1.00 0.00 C ATOM 32 O VAL A 3 8.559 11.886 0.196 1.00 0.00 O ATOM 33 CB VAL A 3 6.655 13.695 -1.304 1.00 0.00 C ATOM 34 CG1 VAL A 3 5.550 14.721 -1.565 1.00 0.00 C ATOM 35 CG2 VAL A 3 8.019 14.362 -1.477 1.00 0.00 C ATOM 0 H VAL A 3 7.549 14.952 0.637 1.00 0.00 H new ATOM 0 HA VAL A 3 5.483 12.943 0.341 1.00 0.00 H new ATOM 0 HB VAL A 3 6.560 12.871 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.642 15.104 -2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.576 14.246 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.644 15.545 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.110 14.746 -2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.114 15.185 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.807 13.632 -1.293 1.00 0.00 H new ATOM 45 N GLU A 4 6.691 10.756 0.435 1.00 0.00 N ATOM 46 CA GLU A 4 7.432 9.472 0.574 1.00 0.00 C ATOM 47 C GLU A 4 6.439 8.311 0.677 1.00 0.00 C ATOM 48 O GLU A 4 6.065 7.897 1.757 1.00 0.00 O ATOM 49 CB GLU A 4 8.295 9.518 1.835 1.00 0.00 C ATOM 50 CG GLU A 4 7.410 9.794 3.051 1.00 0.00 C ATOM 51 CD GLU A 4 8.175 10.658 4.055 1.00 0.00 C ATOM 52 OE1 GLU A 4 9.325 10.963 3.789 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.596 10.999 5.074 1.00 0.00 O ATOM 0 H GLU A 4 5.675 10.680 0.491 1.00 0.00 H new ATOM 0 HA GLU A 4 8.068 9.325 -0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.821 8.572 1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.054 10.295 1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.496 10.301 2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.111 8.855 3.517 1.00 0.00 H new ATOM 60 N GLN A 5 6.015 7.778 -0.438 1.00 0.00 N ATOM 61 CA GLN A 5 5.055 6.643 -0.411 1.00 0.00 C ATOM 62 C GLN A 5 4.681 6.259 -1.844 1.00 0.00 C ATOM 63 O GLN A 5 5.330 6.655 -2.792 1.00 0.00 O ATOM 64 CB GLN A 5 3.796 7.051 0.357 1.00 0.00 C ATOM 65 CG GLN A 5 3.043 8.127 -0.427 1.00 0.00 C ATOM 66 CD GLN A 5 2.417 9.125 0.548 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.175 10.264 0.198 1.00 0.00 O ATOM 68 NE2 GLN A 5 2.142 8.744 1.765 1.00 0.00 N ATOM 0 H GLN A 5 6.296 8.084 -1.370 1.00 0.00 H new ATOM 0 HA GLN A 5 5.517 5.789 0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.155 6.183 0.511 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.066 7.427 1.344 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.724 8.642 -1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.269 7.669 -1.042 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.345 7.788 2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.724 9.402 2.423 1.00 0.00 H new ATOM 77 N CYS A 6 3.637 5.493 -2.013 1.00 0.00 N ATOM 78 CA CYS A 6 3.227 5.093 -3.382 1.00 0.00 C ATOM 79 C CYS A 6 2.224 6.114 -3.930 1.00 0.00 C ATOM 80 O CYS A 6 2.592 7.205 -4.317 1.00 0.00 O ATOM 81 CB CYS A 6 2.613 3.679 -3.376 1.00 0.00 C ATOM 82 SG CYS A 6 1.596 3.421 -1.897 1.00 0.00 S ATOM 0 H CYS A 6 3.053 5.129 -1.260 1.00 0.00 H new ATOM 0 HA CYS A 6 4.106 5.072 -4.026 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.005 3.539 -4.269 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.407 2.933 -3.411 1.00 0.00 H new ATOM 87 N CYS A 7 0.963 5.781 -3.966 1.00 0.00 N ATOM 88 CA CYS A 7 -0.043 6.748 -4.487 1.00 0.00 C ATOM 89 C CYS A 7 -0.628 7.543 -3.319 1.00 0.00 C ATOM 90 O CYS A 7 -0.458 8.741 -3.219 1.00 0.00 O ATOM 91 CB CYS A 7 -1.165 5.989 -5.195 1.00 0.00 C ATOM 92 SG CYS A 7 -2.467 7.148 -5.680 1.00 0.00 S ATOM 0 H CYS A 7 0.587 4.884 -3.658 1.00 0.00 H new ATOM 0 HA CYS A 7 0.436 7.427 -5.193 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.774 5.477 -6.074 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.573 5.223 -4.535 1.00 0.00 H new ATOM 97 N THR A 8 -1.314 6.878 -2.429 1.00 0.00 N ATOM 98 CA THR A 8 -1.910 7.576 -1.262 1.00 0.00 C ATOM 99 C THR A 8 -2.540 6.542 -0.328 1.00 0.00 C ATOM 100 O THR A 8 -3.719 6.257 -0.408 1.00 0.00 O ATOM 101 CB THR A 8 -2.984 8.562 -1.732 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.858 8.775 -3.130 1.00 0.00 O ATOM 103 CG2 THR A 8 -2.817 9.890 -0.994 1.00 0.00 C ATOM 0 H THR A 8 -1.486 5.873 -2.464 1.00 0.00 H new ATOM 0 HA THR A 8 -1.131 8.126 -0.734 1.00 0.00 H new ATOM 0 HB THR A 8 -3.970 8.150 -1.518 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.065 9.324 -3.307 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.581 10.591 -1.329 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.920 9.726 0.079 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.830 10.302 -1.205 1.00 0.00 H new ATOM 111 N SER A 9 -1.766 5.976 0.555 1.00 0.00 N ATOM 112 CA SER A 9 -2.321 4.961 1.489 1.00 0.00 C ATOM 113 C SER A 9 -1.175 4.190 2.149 1.00 0.00 C ATOM 114 O SER A 9 -1.085 2.983 2.043 1.00 0.00 O ATOM 115 CB SER A 9 -3.212 3.990 0.714 1.00 0.00 C ATOM 116 OG SER A 9 -3.361 2.791 1.461 1.00 0.00 O ATOM 0 H SER A 9 -0.772 6.174 0.669 1.00 0.00 H new ATOM 0 HA SER A 9 -2.910 5.460 2.259 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.187 4.441 0.530 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.772 3.773 -0.260 1.00 0.00 H new ATOM 0 HG SER A 9 -2.514 2.298 1.461 1.00 0.00 H new ATOM 122 N ILE A 10 -0.302 4.878 2.831 1.00 0.00 N ATOM 123 CA ILE A 10 0.836 4.187 3.501 1.00 0.00 C ATOM 124 C ILE A 10 1.708 3.500 2.439 1.00 0.00 C ATOM 125 O ILE A 10 1.223 3.042 1.424 1.00 0.00 O ATOM 126 CB ILE A 10 0.276 3.166 4.518 1.00 0.00 C ATOM 127 CG1 ILE A 10 0.785 3.525 5.916 1.00 0.00 C ATOM 128 CG2 ILE A 10 0.711 1.732 4.181 1.00 0.00 C ATOM 129 CD1 ILE A 10 -0.375 3.472 6.912 1.00 0.00 C ATOM 0 H ILE A 10 -0.327 5.890 2.954 1.00 0.00 H new ATOM 0 HA ILE A 10 1.457 4.904 4.038 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.812 3.209 4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.569 2.831 6.218 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.227 4.522 5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.298 1.044 4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.345 1.464 3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.799 1.669 4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.012 3.728 7.907 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.144 4.184 6.613 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.796 2.467 6.927 1.00 0.00 H new ATOM 141 N CYS A 11 2.990 3.424 2.673 1.00 0.00 N ATOM 142 CA CYS A 11 3.892 2.768 1.687 1.00 0.00 C ATOM 143 C CYS A 11 5.345 2.980 2.109 1.00 0.00 C ATOM 144 O CYS A 11 6.185 3.357 1.317 1.00 0.00 O ATOM 145 CB CYS A 11 3.670 3.376 0.302 1.00 0.00 C ATOM 146 SG CYS A 11 2.722 2.224 -0.722 1.00 0.00 S ATOM 0 H CYS A 11 3.451 3.789 3.506 1.00 0.00 H new ATOM 0 HA CYS A 11 3.674 1.701 1.651 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.137 4.323 0.391 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.629 3.593 -0.169 1.00 0.00 H new ATOM 151 N SER A 12 5.646 2.736 3.353 1.00 0.00 N ATOM 152 CA SER A 12 7.044 2.920 3.833 1.00 0.00 C ATOM 153 C SER A 12 7.665 1.550 4.104 1.00 0.00 C ATOM 154 O SER A 12 7.082 0.526 3.806 1.00 0.00 O ATOM 155 CB SER A 12 7.036 3.740 5.124 1.00 0.00 C ATOM 156 OG SER A 12 8.015 4.768 5.032 1.00 0.00 O ATOM 0 H SER A 12 4.983 2.417 4.060 1.00 0.00 H new ATOM 0 HA SER A 12 7.626 3.444 3.075 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.050 4.174 5.287 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.246 3.097 5.979 1.00 0.00 H new ATOM 0 HG SER A 12 8.012 5.297 5.857 1.00 0.00 H new ATOM 162 N LEU A 13 8.841 1.517 4.668 1.00 0.00 N ATOM 163 CA LEU A 13 9.486 0.207 4.955 1.00 0.00 C ATOM 164 C LEU A 13 8.453 -0.732 5.579 1.00 0.00 C ATOM 165 O LEU A 13 7.962 -1.642 4.940 1.00 0.00 O ATOM 166 CB LEU A 13 10.648 0.410 5.930 1.00 0.00 C ATOM 167 CG LEU A 13 11.948 -0.067 5.282 1.00 0.00 C ATOM 168 CD1 LEU A 13 13.046 0.974 5.510 1.00 0.00 C ATOM 169 CD2 LEU A 13 12.373 -1.398 5.908 1.00 0.00 C ATOM 0 H LEU A 13 9.381 2.338 4.941 1.00 0.00 H new ATOM 0 HA LEU A 13 9.866 -0.226 4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.729 1.463 6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.464 -0.143 6.851 1.00 0.00 H new ATOM 0 HG LEU A 13 11.790 -0.201 4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.972 0.633 5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.746 1.923 5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.203 1.109 6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.300 -1.738 5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.529 -1.263 6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.593 -2.142 5.746 1.00 0.00 H new ATOM 181 N TYR A 14 8.116 -0.517 6.821 1.00 0.00 N ATOM 182 CA TYR A 14 7.116 -1.391 7.485 1.00 0.00 C ATOM 183 C TYR A 14 5.800 -1.356 6.703 1.00 0.00 C ATOM 184 O TYR A 14 5.473 -0.374 6.067 1.00 0.00 O ATOM 185 CB TYR A 14 6.870 -0.896 8.911 1.00 0.00 C ATOM 186 CG TYR A 14 7.996 -1.351 9.808 1.00 0.00 C ATOM 187 CD1 TYR A 14 8.278 -2.718 9.940 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.756 -0.409 10.512 1.00 0.00 C ATOM 189 CE1 TYR A 14 9.323 -3.140 10.773 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.800 -0.830 11.346 1.00 0.00 C ATOM 191 CZ TYR A 14 10.083 -2.196 11.477 1.00 0.00 C ATOM 192 OH TYR A 14 11.111 -2.613 12.298 1.00 0.00 O ATOM 0 H TYR A 14 8.493 0.230 7.404 1.00 0.00 H new ATOM 0 HA TYR A 14 7.495 -2.413 7.513 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.800 0.192 8.922 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.919 -1.280 9.281 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.690 -3.445 9.400 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.537 0.644 10.412 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.543 -4.193 10.872 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.386 -0.102 11.887 1.00 0.00 H new ATOM 0 HH TYR A 14 11.537 -1.833 12.711 1.00 0.00 H new ATOM 202 N GLN A 15 5.049 -2.426 6.750 1.00 0.00 N ATOM 203 CA GLN A 15 3.745 -2.484 6.021 1.00 0.00 C ATOM 204 C GLN A 15 3.981 -2.897 4.571 1.00 0.00 C ATOM 205 O GLN A 15 3.073 -3.324 3.885 1.00 0.00 O ATOM 206 CB GLN A 15 3.052 -1.118 6.063 1.00 0.00 C ATOM 207 CG GLN A 15 3.233 -0.490 7.446 1.00 0.00 C ATOM 208 CD GLN A 15 1.895 0.072 7.932 1.00 0.00 C ATOM 209 OE1 GLN A 15 0.855 -0.256 7.395 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.877 0.911 8.931 1.00 0.00 N ATOM 0 H GLN A 15 5.286 -3.272 7.268 1.00 0.00 H new ATOM 0 HA GLN A 15 3.104 -3.220 6.506 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.470 -0.464 5.298 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.991 -1.231 5.840 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.603 -1.236 8.150 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.978 0.304 7.402 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.750 1.186 9.382 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.990 1.292 9.261 1.00 0.00 H new ATOM 219 N LEU A 16 5.190 -2.796 4.099 1.00 0.00 N ATOM 220 CA LEU A 16 5.463 -3.211 2.699 1.00 0.00 C ATOM 221 C LEU A 16 6.233 -4.532 2.726 1.00 0.00 C ATOM 222 O LEU A 16 5.819 -5.466 3.384 1.00 0.00 O ATOM 223 CB LEU A 16 6.262 -2.139 1.970 1.00 0.00 C ATOM 224 CG LEU A 16 5.353 -0.958 1.595 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.820 -1.158 0.176 1.00 0.00 C ATOM 226 CD2 LEU A 16 4.167 -0.839 2.563 1.00 0.00 C ATOM 0 H LEU A 16 5.995 -2.447 4.618 1.00 0.00 H new ATOM 0 HA LEU A 16 4.523 -3.344 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.079 -1.791 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.712 -2.560 1.071 1.00 0.00 H new ATOM 0 HG LEU A 16 5.942 -0.043 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.175 -0.321 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.655 -1.210 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.249 -2.085 0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.543 0.006 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.577 -1.755 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.538 -0.683 3.576 1.00 0.00 H new ATOM 238 N GLU A 17 7.339 -4.642 2.021 1.00 0.00 N ATOM 239 CA GLU A 17 8.084 -5.929 2.027 1.00 0.00 C ATOM 240 C GLU A 17 7.070 -7.052 1.869 1.00 0.00 C ATOM 241 O GLU A 17 7.272 -8.165 2.310 1.00 0.00 O ATOM 242 CB GLU A 17 8.831 -6.091 3.352 1.00 0.00 C ATOM 243 CG GLU A 17 10.262 -5.575 3.199 1.00 0.00 C ATOM 244 CD GLU A 17 10.527 -4.486 4.240 1.00 0.00 C ATOM 245 OE1 GLU A 17 10.896 -4.834 5.351 1.00 0.00 O ATOM 246 OE2 GLU A 17 10.356 -3.325 3.910 1.00 0.00 O ATOM 0 H GLU A 17 7.747 -3.901 1.451 1.00 0.00 H new ATOM 0 HA GLU A 17 8.811 -5.952 1.215 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.317 -5.541 4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.841 -7.140 3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.970 -6.394 3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.411 -5.177 2.195 1.00 0.00 H new ATOM 253 N ASN A 18 5.963 -6.748 1.248 1.00 0.00 N ATOM 254 CA ASN A 18 4.914 -7.769 1.064 1.00 0.00 C ATOM 255 C ASN A 18 3.694 -7.142 0.393 1.00 0.00 C ATOM 256 O ASN A 18 3.484 -7.279 -0.795 1.00 0.00 O ATOM 257 CB ASN A 18 4.516 -8.338 2.429 1.00 0.00 C ATOM 258 CG ASN A 18 4.708 -9.855 2.425 1.00 0.00 C ATOM 259 OD1 ASN A 18 4.355 -10.521 1.472 1.00 0.00 O ATOM 260 ND2 ASN A 18 5.259 -10.435 3.457 1.00 0.00 N ATOM 0 H ASN A 18 5.747 -5.829 0.861 1.00 0.00 H new ATOM 0 HA ASN A 18 5.295 -8.571 0.432 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.122 -7.886 3.214 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.477 -8.093 2.648 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.393 -11.446 3.463 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.556 -9.877 4.258 1.00 0.00 H new ATOM 267 N TYR A 19 2.885 -6.461 1.149 1.00 0.00 N ATOM 268 CA TYR A 19 1.670 -5.829 0.562 1.00 0.00 C ATOM 269 C TYR A 19 0.901 -6.884 -0.231 1.00 0.00 C ATOM 270 O TYR A 19 0.221 -6.586 -1.192 1.00 0.00 O ATOM 271 CB TYR A 19 2.085 -4.687 -0.368 1.00 0.00 C ATOM 272 CG TYR A 19 1.126 -3.532 -0.201 1.00 0.00 C ATOM 273 CD1 TYR A 19 -0.221 -3.777 0.098 1.00 0.00 C ATOM 274 CD2 TYR A 19 1.585 -2.215 -0.345 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.110 -2.706 0.254 1.00 0.00 C ATOM 276 CE2 TYR A 19 0.695 -1.144 -0.189 1.00 0.00 C ATOM 277 CZ TYR A 19 -0.652 -1.389 0.111 1.00 0.00 C ATOM 278 OH TYR A 19 -1.527 -0.334 0.265 1.00 0.00 O ATOM 0 H TYR A 19 3.010 -6.313 2.150 1.00 0.00 H new ATOM 0 HA TYR A 19 1.038 -5.430 1.356 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.101 -4.367 -0.138 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.085 -5.028 -1.403 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.574 -4.792 0.208 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.623 -2.026 -0.576 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.148 -2.895 0.484 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.047 -0.129 -0.300 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.047 0.511 0.134 1.00 0.00 H new ATOM 288 N CYS A 20 1.012 -8.121 0.168 1.00 0.00 N ATOM 289 CA CYS A 20 0.299 -9.211 -0.553 1.00 0.00 C ATOM 290 C CYS A 20 -0.941 -9.626 0.245 1.00 0.00 C ATOM 291 O CYS A 20 -1.712 -10.464 -0.179 1.00 0.00 O ATOM 292 CB CYS A 20 1.242 -10.408 -0.696 1.00 0.00 C ATOM 293 SG CYS A 20 0.559 -11.618 -1.861 1.00 0.00 S ATOM 0 H CYS A 20 1.569 -8.424 0.967 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.010 -8.864 -1.539 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.218 -10.070 -1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.395 -10.876 0.276 1.00 0.00 H new ATOM 298 N ASN A 21 -1.139 -9.045 1.398 1.00 0.00 N ATOM 299 CA ASN A 21 -2.329 -9.406 2.219 1.00 0.00 C ATOM 300 C ASN A 21 -2.196 -10.853 2.699 1.00 0.00 C ATOM 301 O ASN A 21 -3.145 -11.626 2.886 1.00 0.00 O ATOM 302 CB ASN A 21 -3.595 -9.261 1.373 1.00 0.00 C ATOM 303 CG ASN A 21 -4.511 -8.211 2.003 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.379 -7.033 1.736 1.00 0.00 O ATOM 305 ND2 ASN A 21 -5.444 -8.590 2.835 1.00 0.00 N ATOM 0 H ASN A 21 -0.528 -8.337 1.806 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.392 -8.742 3.081 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.334 -8.968 0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.113 -10.218 1.307 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.061 -7.897 3.260 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.556 -9.579 3.060 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 9.653 0.859 -6.546 1.00 0.00 N ATOM 314 CA PHE B 1 9.673 1.282 -7.975 1.00 0.00 C ATOM 315 C PHE B 1 9.076 2.686 -8.099 1.00 0.00 C ATOM 316 O PHE B 1 7.965 2.938 -7.679 1.00 0.00 O ATOM 317 CB PHE B 1 8.848 0.302 -8.810 1.00 0.00 C ATOM 318 CG PHE B 1 9.394 -1.095 -8.636 1.00 0.00 C ATOM 319 CD1 PHE B 1 8.980 -1.879 -7.550 1.00 0.00 C ATOM 320 CD2 PHE B 1 10.313 -1.608 -9.560 1.00 0.00 C ATOM 321 CE1 PHE B 1 9.487 -3.175 -7.389 1.00 0.00 C ATOM 322 CE2 PHE B 1 10.820 -2.905 -9.398 1.00 0.00 C ATOM 323 CZ PHE B 1 10.406 -3.689 -8.313 1.00 0.00 C ATOM 0 H1 PHE B 1 9.423 -0.154 -6.487 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.587 1.028 -6.121 1.00 0.00 H new ATOM 0 H3 PHE B 1 8.935 1.407 -6.032 1.00 0.00 H new ATOM 0 HA PHE B 1 10.701 1.290 -8.337 1.00 0.00 H new ATOM 0 HB2 PHE B 1 7.803 0.336 -8.502 1.00 0.00 H new ATOM 0 HB3 PHE B 1 8.880 0.588 -9.861 1.00 0.00 H new ATOM 0 HD1 PHE B 1 8.271 -1.484 -6.838 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.631 -1.004 -10.397 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.169 -3.778 -6.552 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.530 -3.300 -10.110 1.00 0.00 H new ATOM 0 HZ PHE B 1 10.795 -4.689 -8.189 1.00 0.00 H new ATOM 333 N VAL B 2 9.806 3.602 -8.675 1.00 0.00 N ATOM 334 CA VAL B 2 9.279 4.988 -8.826 1.00 0.00 C ATOM 335 C VAL B 2 9.486 5.458 -10.267 1.00 0.00 C ATOM 336 O VAL B 2 10.494 6.051 -10.597 1.00 0.00 O ATOM 337 CB VAL B 2 10.023 5.928 -7.876 1.00 0.00 C ATOM 338 CG1 VAL B 2 9.275 7.259 -7.786 1.00 0.00 C ATOM 339 CG2 VAL B 2 10.100 5.293 -6.485 1.00 0.00 C ATOM 0 H VAL B 2 10.744 3.451 -9.047 1.00 0.00 H new ATOM 0 HA VAL B 2 8.216 4.997 -8.587 1.00 0.00 H new ATOM 0 HB VAL B 2 11.031 6.101 -8.253 1.00 0.00 H new ATOM 0 HG11 VAL B 2 9.805 7.929 -7.109 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.219 7.713 -8.776 1.00 0.00 H new ATOM 0 HG13 VAL B 2 8.267 7.085 -7.409 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.630 5.963 -5.808 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.092 5.119 -6.108 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.633 4.344 -6.547 1.00 0.00 H new ATOM 349 N ASN B 3 8.542 5.200 -11.128 1.00 0.00 N ATOM 350 CA ASN B 3 8.691 5.634 -12.546 1.00 0.00 C ATOM 351 C ASN B 3 7.677 6.738 -12.849 1.00 0.00 C ATOM 352 O ASN B 3 6.955 6.681 -13.825 1.00 0.00 O ATOM 353 CB ASN B 3 8.443 4.444 -13.475 1.00 0.00 C ATOM 354 CG ASN B 3 9.027 3.175 -12.849 1.00 0.00 C ATOM 355 OD1 ASN B 3 10.230 3.012 -12.789 1.00 0.00 O ATOM 356 ND2 ASN B 3 8.221 2.263 -12.379 1.00 0.00 N ATOM 0 H ASN B 3 7.675 4.708 -10.912 1.00 0.00 H new ATOM 0 HA ASN B 3 9.701 6.013 -12.705 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.374 4.319 -13.645 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.901 4.627 -14.447 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.600 1.413 -11.961 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.211 2.400 -12.429 1.00 0.00 H new ATOM 363 N GLN B 4 7.617 7.744 -12.018 1.00 0.00 N ATOM 364 CA GLN B 4 6.651 8.855 -12.254 1.00 0.00 C ATOM 365 C GLN B 4 5.302 8.273 -12.683 1.00 0.00 C ATOM 366 O GLN B 4 4.936 8.323 -13.840 1.00 0.00 O ATOM 367 CB GLN B 4 7.185 9.772 -13.355 1.00 0.00 C ATOM 368 CG GLN B 4 7.617 11.107 -12.746 1.00 0.00 C ATOM 369 CD GLN B 4 9.021 10.968 -12.155 1.00 0.00 C ATOM 370 OE1 GLN B 4 10.003 11.185 -12.837 1.00 0.00 O ATOM 371 NE2 GLN B 4 9.158 10.612 -10.907 1.00 0.00 N ATOM 0 H GLN B 4 8.196 7.844 -11.185 1.00 0.00 H new ATOM 0 HA GLN B 4 6.525 9.428 -11.336 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.029 9.300 -13.858 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.416 9.937 -14.110 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.607 11.886 -13.508 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.913 11.410 -11.971 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.333 10.430 -10.335 1.00 0.00 H new ATOM 0 HE22 GLN B 4 10.090 10.516 -10.503 1.00 0.00 H new ATOM 380 N HIS B 5 4.560 7.723 -11.761 1.00 0.00 N ATOM 381 CA HIS B 5 3.237 7.139 -12.121 1.00 0.00 C ATOM 382 C HIS B 5 2.585 6.546 -10.872 1.00 0.00 C ATOM 383 O HIS B 5 2.870 5.432 -10.480 1.00 0.00 O ATOM 384 CB HIS B 5 3.433 6.039 -13.166 1.00 0.00 C ATOM 385 CG HIS B 5 2.916 6.513 -14.497 1.00 0.00 C ATOM 386 ND1 HIS B 5 2.740 7.855 -14.763 1.00 0.00 N ATOM 387 CD2 HIS B 5 2.546 5.821 -15.617 1.00 0.00 C ATOM 388 CE1 HIS B 5 2.274 7.940 -16.018 1.00 0.00 C ATOM 389 NE2 HIS B 5 2.140 6.721 -16.580 1.00 0.00 N ATOM 0 H HIS B 5 4.812 7.653 -10.775 1.00 0.00 H new ATOM 0 HA HIS B 5 2.595 7.919 -12.530 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.489 5.782 -13.245 1.00 0.00 H new ATOM 0 HB3 HIS B 5 2.907 5.135 -12.861 1.00 0.00 H new ATOM 0 HD1 HIS B 5 2.928 8.632 -14.129 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.568 4.747 -15.729 1.00 0.00 H new ATOM 0 HE1 HIS B 5 2.036 8.868 -16.516 1.00 0.00 H new ATOM 398 N LEU B 6 1.709 7.280 -10.242 1.00 0.00 N ATOM 399 CA LEU B 6 1.040 6.755 -9.017 1.00 0.00 C ATOM 400 C LEU B 6 -0.433 6.473 -9.320 1.00 0.00 C ATOM 401 O LEU B 6 -1.058 7.157 -10.107 1.00 0.00 O ATOM 402 CB LEU B 6 1.139 7.792 -7.895 1.00 0.00 C ATOM 403 CG LEU B 6 2.587 7.897 -7.413 1.00 0.00 C ATOM 404 CD1 LEU B 6 3.148 6.495 -7.164 1.00 0.00 C ATOM 405 CD2 LEU B 6 3.429 8.600 -8.480 1.00 0.00 C ATOM 0 H LEU B 6 1.428 8.220 -10.522 1.00 0.00 H new ATOM 0 HA LEU B 6 1.530 5.833 -8.704 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.794 8.762 -8.252 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.490 7.508 -7.067 1.00 0.00 H new ATOM 0 HG LEU B 6 2.619 8.470 -6.486 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.180 6.572 -6.821 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.549 5.993 -6.404 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.115 5.920 -8.090 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.461 8.675 -8.138 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.395 8.027 -9.406 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.032 9.599 -8.657 1.00 0.00 H new ATOM 417 N CYS B 7 -0.993 5.470 -8.700 1.00 0.00 N ATOM 418 CA CYS B 7 -2.426 5.144 -8.950 1.00 0.00 C ATOM 419 C CYS B 7 -2.650 4.935 -10.450 1.00 0.00 C ATOM 420 O CYS B 7 -1.732 5.014 -11.242 1.00 0.00 O ATOM 421 CB CYS B 7 -3.304 6.298 -8.461 1.00 0.00 C ATOM 422 SG CYS B 7 -3.767 6.015 -6.734 1.00 0.00 S ATOM 0 H CYS B 7 -0.520 4.862 -8.031 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.689 4.233 -8.413 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.767 7.242 -8.555 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.198 6.377 -9.080 1.00 0.00 H new ATOM 427 N GLY B 8 -3.864 4.671 -10.845 1.00 0.00 N ATOM 428 CA GLY B 8 -4.149 4.459 -12.292 1.00 0.00 C ATOM 429 C GLY B 8 -3.522 3.141 -12.751 1.00 0.00 C ATOM 430 O GLY B 8 -2.710 3.111 -13.655 1.00 0.00 O ATOM 0 H GLY B 8 -4.672 4.593 -10.228 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.226 4.440 -12.462 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.749 5.287 -12.877 1.00 0.00 H new ATOM 434 N SER B 9 -3.890 2.050 -12.135 1.00 0.00 N ATOM 435 CA SER B 9 -3.314 0.737 -12.540 1.00 0.00 C ATOM 436 C SER B 9 -1.786 0.812 -12.491 1.00 0.00 C ATOM 437 O SER B 9 -1.096 0.011 -13.089 1.00 0.00 O ATOM 438 CB SER B 9 -3.763 0.400 -13.962 1.00 0.00 C ATOM 439 OG SER B 9 -5.170 0.205 -13.977 1.00 0.00 O ATOM 0 H SER B 9 -4.564 2.012 -11.370 1.00 0.00 H new ATOM 0 HA SER B 9 -3.661 -0.038 -11.856 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.489 1.206 -14.643 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.256 -0.499 -14.312 1.00 0.00 H new ATOM 0 HG SER B 9 -5.461 -0.010 -14.888 1.00 0.00 H new ATOM 445 N HIS B 10 -1.252 1.769 -11.781 1.00 0.00 N ATOM 446 CA HIS B 10 0.231 1.891 -11.693 1.00 0.00 C ATOM 447 C HIS B 10 0.726 1.170 -10.438 1.00 0.00 C ATOM 448 O HIS B 10 1.617 0.346 -10.495 1.00 0.00 O ATOM 449 CB HIS B 10 0.618 3.370 -11.619 1.00 0.00 C ATOM 450 CG HIS B 10 0.302 4.035 -12.931 1.00 0.00 C ATOM 451 ND1 HIS B 10 -0.061 5.363 -12.994 1.00 0.00 N ATOM 452 CD2 HIS B 10 0.298 3.547 -14.208 1.00 0.00 C ATOM 453 CE1 HIS B 10 -0.272 5.642 -14.289 1.00 0.00 C ATOM 454 NE2 HIS B 10 -0.064 4.561 -15.069 1.00 0.00 N ATOM 0 H HIS B 10 -1.778 2.470 -11.259 1.00 0.00 H new ATOM 0 HA HIS B 10 0.687 1.441 -12.575 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.075 3.859 -10.810 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.680 3.469 -11.395 1.00 0.00 H new ATOM 0 HD1 HIS B 10 -0.152 6.008 -12.209 1.00 0.00 H new ATOM 0 HD2 HIS B 10 0.539 2.534 -14.495 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -0.571 6.611 -14.661 1.00 0.00 H new ATOM 463 N LEU B 11 0.153 1.471 -9.304 1.00 0.00 N ATOM 464 CA LEU B 11 0.589 0.798 -8.049 1.00 0.00 C ATOM 465 C LEU B 11 0.473 -0.717 -8.222 1.00 0.00 C ATOM 466 O LEU B 11 1.160 -1.481 -7.575 1.00 0.00 O ATOM 467 CB LEU B 11 -0.306 1.245 -6.894 1.00 0.00 C ATOM 468 CG LEU B 11 -0.367 2.770 -6.855 1.00 0.00 C ATOM 469 CD1 LEU B 11 -1.036 3.214 -5.556 1.00 0.00 C ATOM 470 CD2 LEU B 11 1.051 3.342 -6.916 1.00 0.00 C ATOM 0 H LEU B 11 -0.597 2.153 -9.193 1.00 0.00 H new ATOM 0 HA LEU B 11 1.623 1.065 -7.832 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.308 0.834 -7.017 1.00 0.00 H new ATOM 0 HB3 LEU B 11 0.082 0.862 -5.950 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.941 3.133 -7.708 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.082 4.303 -5.524 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.046 2.807 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.458 2.850 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.006 4.431 -6.888 1.00 0.00 H new ATOM 0 HD22 LEU B 11 1.626 2.981 -6.063 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.533 3.023 -7.840 1.00 0.00 H new ATOM 482 N VAL B 12 -0.396 -1.155 -9.091 1.00 0.00 N ATOM 483 CA VAL B 12 -0.574 -2.601 -9.316 1.00 0.00 C ATOM 484 C VAL B 12 0.727 -3.198 -9.866 1.00 0.00 C ATOM 485 O VAL B 12 1.236 -4.180 -9.366 1.00 0.00 O ATOM 486 CB VAL B 12 -1.745 -2.757 -10.301 1.00 0.00 C ATOM 487 CG1 VAL B 12 -1.321 -3.505 -11.563 1.00 0.00 C ATOM 488 CG2 VAL B 12 -2.876 -3.508 -9.611 1.00 0.00 C ATOM 0 H VAL B 12 -0.995 -0.556 -9.659 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.801 -3.135 -8.393 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.079 -1.764 -10.602 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.174 -3.596 -12.236 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.523 -2.955 -12.061 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.963 -4.499 -11.294 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.711 -3.623 -10.302 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.523 -4.492 -9.301 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.204 -2.947 -8.736 1.00 0.00 H new ATOM 498 N GLU B 13 1.257 -2.605 -10.891 1.00 0.00 N ATOM 499 CA GLU B 13 2.519 -3.119 -11.492 1.00 0.00 C ATOM 500 C GLU B 13 3.534 -3.426 -10.393 1.00 0.00 C ATOM 501 O GLU B 13 3.806 -4.568 -10.080 1.00 0.00 O ATOM 502 CB GLU B 13 3.101 -2.066 -12.437 1.00 0.00 C ATOM 503 CG GLU B 13 2.995 -2.560 -13.882 1.00 0.00 C ATOM 504 CD GLU B 13 4.192 -2.050 -14.685 1.00 0.00 C ATOM 505 OE1 GLU B 13 4.612 -0.932 -14.438 1.00 0.00 O ATOM 506 OE2 GLU B 13 4.668 -2.786 -15.535 1.00 0.00 O ATOM 0 H GLU B 13 0.869 -1.778 -11.345 1.00 0.00 H new ATOM 0 HA GLU B 13 2.302 -4.032 -12.046 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.564 -1.124 -12.323 1.00 0.00 H new ATOM 0 HB3 GLU B 13 4.143 -1.871 -12.184 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.967 -3.649 -13.904 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.066 -2.208 -14.331 1.00 0.00 H new ATOM 513 N ALA B 14 4.098 -2.410 -9.815 1.00 0.00 N ATOM 514 CA ALA B 14 5.106 -2.617 -8.742 1.00 0.00 C ATOM 515 C ALA B 14 4.552 -3.585 -7.700 1.00 0.00 C ATOM 516 O ALA B 14 5.288 -4.217 -6.968 1.00 0.00 O ATOM 517 CB ALA B 14 5.428 -1.277 -8.078 1.00 0.00 C ATOM 0 H ALA B 14 3.903 -1.434 -10.041 1.00 0.00 H new ATOM 0 HA ALA B 14 6.015 -3.034 -9.175 1.00 0.00 H new ATOM 0 HB1 ALA B 14 6.167 -1.429 -7.291 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.827 -0.589 -8.823 1.00 0.00 H new ATOM 0 HB3 ALA B 14 4.519 -0.857 -7.646 1.00 0.00 H new ATOM 523 N LEU B 15 3.259 -3.706 -7.628 1.00 0.00 N ATOM 524 CA LEU B 15 2.651 -4.635 -6.633 1.00 0.00 C ATOM 525 C LEU B 15 2.444 -6.006 -7.278 1.00 0.00 C ATOM 526 O LEU B 15 2.206 -6.990 -6.605 1.00 0.00 O ATOM 527 CB LEU B 15 1.301 -4.080 -6.170 1.00 0.00 C ATOM 528 CG LEU B 15 0.937 -4.692 -4.817 1.00 0.00 C ATOM 529 CD1 LEU B 15 0.660 -3.576 -3.808 1.00 0.00 C ATOM 530 CD2 LEU B 15 -0.314 -5.561 -4.969 1.00 0.00 C ATOM 0 H LEU B 15 2.594 -3.202 -8.215 1.00 0.00 H new ATOM 0 HA LEU B 15 3.316 -4.732 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.350 -2.994 -6.089 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.530 -4.310 -6.905 1.00 0.00 H new ATOM 0 HG LEU B 15 1.766 -5.305 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.401 -4.013 -2.844 1.00 0.00 H new ATOM 0 HD12 LEU B 15 1.550 -2.956 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.168 -2.962 -4.163 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.573 -5.997 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.142 -4.948 -5.324 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.119 -6.358 -5.687 1.00 0.00 H new ATOM 542 N TYR B 16 2.533 -6.081 -8.577 1.00 0.00 N ATOM 543 CA TYR B 16 2.340 -7.390 -9.263 1.00 0.00 C ATOM 544 C TYR B 16 3.590 -8.253 -9.081 1.00 0.00 C ATOM 545 O TYR B 16 3.615 -9.410 -9.453 1.00 0.00 O ATOM 546 CB TYR B 16 2.097 -7.152 -10.753 1.00 0.00 C ATOM 547 CG TYR B 16 0.704 -7.611 -11.114 1.00 0.00 C ATOM 548 CD1 TYR B 16 0.214 -8.823 -10.611 1.00 0.00 C ATOM 549 CD2 TYR B 16 -0.098 -6.823 -11.951 1.00 0.00 C ATOM 550 CE1 TYR B 16 -1.079 -9.249 -10.945 1.00 0.00 C ATOM 551 CE2 TYR B 16 -1.391 -7.249 -12.285 1.00 0.00 C ATOM 552 CZ TYR B 16 -1.881 -8.463 -11.782 1.00 0.00 C ATOM 553 OH TYR B 16 -3.153 -8.882 -12.112 1.00 0.00 O ATOM 0 H TYR B 16 2.731 -5.293 -9.193 1.00 0.00 H new ATOM 0 HA TYR B 16 1.481 -7.903 -8.831 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.215 -6.094 -10.988 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.835 -7.694 -11.344 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.832 -9.429 -9.966 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.280 -5.888 -12.338 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -1.457 -10.183 -10.557 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.010 -6.642 -12.930 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.574 -8.220 -12.699 1.00 0.00 H new ATOM 563 N LEU B 17 4.628 -7.704 -8.512 1.00 0.00 N ATOM 564 CA LEU B 17 5.872 -8.497 -8.309 1.00 0.00 C ATOM 565 C LEU B 17 6.108 -8.696 -6.810 1.00 0.00 C ATOM 566 O LEU B 17 6.876 -9.543 -6.401 1.00 0.00 O ATOM 567 CB LEU B 17 7.059 -7.750 -8.918 1.00 0.00 C ATOM 568 CG LEU B 17 7.615 -8.549 -10.096 1.00 0.00 C ATOM 569 CD1 LEU B 17 6.544 -8.671 -11.182 1.00 0.00 C ATOM 570 CD2 LEU B 17 8.839 -7.830 -10.667 1.00 0.00 C ATOM 0 H LEU B 17 4.668 -6.741 -8.179 1.00 0.00 H new ATOM 0 HA LEU B 17 5.768 -9.468 -8.794 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.747 -6.760 -9.251 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.834 -7.603 -8.166 1.00 0.00 H new ATOM 0 HG LEU B 17 7.902 -9.544 -9.756 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.941 -9.241 -12.022 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.671 -9.183 -10.776 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.256 -7.676 -11.522 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.236 -8.399 -11.507 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.551 -6.835 -11.007 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.603 -7.743 -9.894 1.00 0.00 H new ATOM 582 N VAL B 18 5.454 -7.921 -5.991 1.00 0.00 N ATOM 583 CA VAL B 18 5.643 -8.062 -4.520 1.00 0.00 C ATOM 584 C VAL B 18 4.667 -9.101 -3.969 1.00 0.00 C ATOM 585 O VAL B 18 5.039 -9.974 -3.210 1.00 0.00 O ATOM 586 CB VAL B 18 5.374 -6.724 -3.832 1.00 0.00 C ATOM 587 CG1 VAL B 18 3.943 -6.267 -4.120 1.00 0.00 C ATOM 588 CG2 VAL B 18 5.545 -6.903 -2.324 1.00 0.00 C ATOM 0 H VAL B 18 4.796 -7.196 -6.277 1.00 0.00 H new ATOM 0 HA VAL B 18 6.668 -8.378 -4.328 1.00 0.00 H new ATOM 0 HB VAL B 18 6.072 -5.976 -4.208 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.759 -5.313 -3.626 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.808 -6.151 -5.195 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.241 -7.011 -3.744 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.356 -5.955 -1.821 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.839 -7.652 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.562 -7.231 -2.110 1.00 0.00 H new ATOM 598 N CYS B 19 3.418 -9.003 -4.328 1.00 0.00 N ATOM 599 CA CYS B 19 2.420 -9.973 -3.806 1.00 0.00 C ATOM 600 C CYS B 19 2.393 -11.214 -4.699 1.00 0.00 C ATOM 601 O CYS B 19 2.576 -12.324 -4.240 1.00 0.00 O ATOM 602 CB CYS B 19 1.041 -9.309 -3.787 1.00 0.00 C ATOM 603 SG CYS B 19 -0.231 -10.530 -3.371 1.00 0.00 S ATOM 0 H CYS B 19 3.047 -8.294 -4.960 1.00 0.00 H new ATOM 0 HA CYS B 19 2.691 -10.274 -2.794 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.029 -8.498 -3.059 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.828 -8.867 -4.760 1.00 0.00 H new ATOM 608 N GLY B 20 2.172 -11.040 -5.973 1.00 0.00 N ATOM 609 CA GLY B 20 2.140 -12.214 -6.890 1.00 0.00 C ATOM 610 C GLY B 20 0.690 -12.585 -7.200 1.00 0.00 C ATOM 611 O GLY B 20 0.184 -13.589 -6.739 1.00 0.00 O ATOM 0 H GLY B 20 2.012 -10.136 -6.418 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.671 -11.982 -7.813 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.652 -13.060 -6.432 1.00 0.00 H new ATOM 615 N GLU B 21 0.018 -11.785 -7.982 1.00 0.00 N ATOM 616 CA GLU B 21 -1.400 -12.093 -8.324 1.00 0.00 C ATOM 617 C GLU B 21 -2.251 -12.069 -7.052 1.00 0.00 C ATOM 618 O GLU B 21 -1.843 -12.542 -6.011 1.00 0.00 O ATOM 619 CB GLU B 21 -1.480 -13.480 -8.963 1.00 0.00 C ATOM 620 CG GLU B 21 -1.992 -13.352 -10.398 1.00 0.00 C ATOM 621 CD GLU B 21 -2.683 -14.653 -10.812 1.00 0.00 C ATOM 622 OE1 GLU B 21 -3.151 -15.358 -9.935 1.00 0.00 O ATOM 623 OE2 GLU B 21 -2.732 -14.922 -12.002 1.00 0.00 O ATOM 0 H GLU B 21 0.389 -10.931 -8.399 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.774 -11.346 -9.025 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -0.498 -13.952 -8.957 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -2.145 -14.121 -8.384 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -2.689 -12.518 -10.473 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -1.164 -13.137 -11.073 1.00 0.00 H new ATOM 630 N ARG B 22 -3.432 -11.521 -7.131 1.00 0.00 N ATOM 631 CA ARG B 22 -4.312 -11.467 -5.929 1.00 0.00 C ATOM 632 C ARG B 22 -5.521 -10.576 -6.224 1.00 0.00 C ATOM 633 O ARG B 22 -6.626 -10.854 -5.800 1.00 0.00 O ATOM 634 CB ARG B 22 -3.528 -10.895 -4.747 1.00 0.00 C ATOM 635 CG ARG B 22 -3.681 -11.823 -3.539 1.00 0.00 C ATOM 636 CD ARG B 22 -5.077 -11.656 -2.941 1.00 0.00 C ATOM 637 NE ARG B 22 -5.798 -12.959 -2.984 1.00 0.00 N ATOM 638 CZ ARG B 22 -6.719 -13.166 -3.884 1.00 0.00 C ATOM 639 NH1 ARG B 22 -7.642 -12.269 -4.093 1.00 0.00 N ATOM 640 NH2 ARG B 22 -6.717 -14.273 -4.577 1.00 0.00 N ATOM 0 H ARG B 22 -3.826 -11.108 -7.976 1.00 0.00 H new ATOM 0 HA ARG B 22 -4.654 -12.472 -5.682 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -2.475 -10.793 -5.010 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -3.894 -9.898 -4.502 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -3.525 -12.859 -3.841 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -2.923 -11.591 -2.791 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -5.003 -11.303 -1.912 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -5.634 -10.902 -3.497 1.00 0.00 H new ATOM 0 HE ARG B 22 -5.571 -13.690 -2.309 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -7.644 -11.404 -3.552 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -8.362 -12.432 -4.797 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -5.995 -14.975 -4.414 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -7.437 -14.435 -5.281 1.00 0.00 H new ATOM 654 N GLY B 23 -5.325 -9.510 -6.952 1.00 0.00 N ATOM 655 CA GLY B 23 -6.469 -8.609 -7.276 1.00 0.00 C ATOM 656 C GLY B 23 -6.233 -7.222 -6.673 1.00 0.00 C ATOM 657 O GLY B 23 -5.682 -6.345 -7.309 1.00 0.00 O ATOM 0 H GLY B 23 -4.424 -9.224 -7.336 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -6.584 -8.529 -8.357 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -7.396 -9.031 -6.887 1.00 0.00 H new ATOM 661 N PHE B 24 -6.654 -7.014 -5.452 1.00 0.00 N ATOM 662 CA PHE B 24 -6.468 -5.681 -4.804 1.00 0.00 C ATOM 663 C PHE B 24 -6.765 -4.573 -5.816 1.00 0.00 C ATOM 664 O PHE B 24 -5.876 -4.050 -6.458 1.00 0.00 O ATOM 665 CB PHE B 24 -5.028 -5.537 -4.299 1.00 0.00 C ATOM 666 CG PHE B 24 -4.066 -6.079 -5.328 1.00 0.00 C ATOM 667 CD1 PHE B 24 -3.720 -7.434 -5.310 1.00 0.00 C ATOM 668 CD2 PHE B 24 -3.521 -5.228 -6.298 1.00 0.00 C ATOM 669 CE1 PHE B 24 -2.827 -7.942 -6.264 1.00 0.00 C ATOM 670 CE2 PHE B 24 -2.629 -5.735 -7.252 1.00 0.00 C ATOM 671 CZ PHE B 24 -2.281 -7.093 -7.235 1.00 0.00 C ATOM 0 H PHE B 24 -7.120 -7.713 -4.874 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.152 -5.599 -3.960 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -4.807 -4.489 -4.098 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -4.908 -6.074 -3.358 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.141 -8.089 -4.561 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.788 -4.182 -6.310 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -2.560 -8.988 -6.250 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -2.209 -5.080 -8.001 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.593 -7.484 -7.970 1.00 0.00 H new ATOM 681 N PHE B 25 -8.009 -4.209 -5.961 1.00 0.00 N ATOM 682 CA PHE B 25 -8.361 -3.134 -6.930 1.00 0.00 C ATOM 683 C PHE B 25 -8.373 -1.784 -6.208 1.00 0.00 C ATOM 684 O PHE B 25 -8.989 -0.836 -6.653 1.00 0.00 O ATOM 685 CB PHE B 25 -9.746 -3.412 -7.519 1.00 0.00 C ATOM 686 CG PHE B 25 -9.777 -4.807 -8.095 1.00 0.00 C ATOM 687 CD1 PHE B 25 -8.760 -5.231 -8.961 1.00 0.00 C ATOM 688 CD2 PHE B 25 -10.822 -5.680 -7.762 1.00 0.00 C ATOM 689 CE1 PHE B 25 -8.788 -6.526 -9.494 1.00 0.00 C ATOM 690 CE2 PHE B 25 -10.850 -6.975 -8.296 1.00 0.00 C ATOM 691 CZ PHE B 25 -9.833 -7.398 -9.162 1.00 0.00 C ATOM 0 H PHE B 25 -8.796 -4.609 -5.451 1.00 0.00 H new ATOM 0 HA PHE B 25 -7.624 -3.110 -7.733 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -10.509 -3.309 -6.747 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.976 -2.682 -8.295 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.954 -4.559 -9.217 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -11.606 -5.354 -7.094 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -8.004 -6.852 -10.161 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.656 -7.647 -8.040 1.00 0.00 H new ATOM 0 HZ PHE B 25 -9.855 -8.396 -9.574 1.00 0.00 H new ATOM 701 N TYR B 26 -7.698 -1.692 -5.095 1.00 0.00 N ATOM 702 CA TYR B 26 -7.669 -0.406 -4.345 1.00 0.00 C ATOM 703 C TYR B 26 -9.080 0.184 -4.289 1.00 0.00 C ATOM 704 O TYR B 26 -9.317 1.294 -4.722 1.00 0.00 O ATOM 705 CB TYR B 26 -6.734 0.579 -5.051 1.00 0.00 C ATOM 706 CG TYR B 26 -5.492 -0.147 -5.509 1.00 0.00 C ATOM 707 CD1 TYR B 26 -4.833 -1.027 -4.640 1.00 0.00 C ATOM 708 CD2 TYR B 26 -4.997 0.061 -6.803 1.00 0.00 C ATOM 709 CE1 TYR B 26 -3.680 -1.699 -5.065 1.00 0.00 C ATOM 710 CE2 TYR B 26 -3.844 -0.610 -7.229 1.00 0.00 C ATOM 711 CZ TYR B 26 -3.184 -1.490 -6.359 1.00 0.00 C ATOM 712 OH TYR B 26 -2.048 -2.151 -6.778 1.00 0.00 O ATOM 0 H TYR B 26 -7.165 -2.453 -4.673 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.308 -0.586 -3.332 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -7.240 1.030 -5.905 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.465 1.391 -4.375 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.214 -1.187 -3.642 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.505 0.739 -7.472 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.173 -2.378 -4.396 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -3.463 -0.450 -8.227 1.00 0.00 H new ATOM 0 HH TYR B 26 -2.199 -3.118 -6.738 1.00 0.00 H new ATOM 722 N THR B 27 -10.020 -0.552 -3.761 1.00 0.00 N ATOM 723 CA THR B 27 -11.414 -0.035 -3.680 1.00 0.00 C ATOM 724 C THR B 27 -12.201 -0.844 -2.643 1.00 0.00 C ATOM 725 O THR B 27 -11.798 -1.928 -2.271 1.00 0.00 O ATOM 726 CB THR B 27 -12.086 -0.168 -5.048 1.00 0.00 C ATOM 727 OG1 THR B 27 -11.477 -1.228 -5.771 1.00 0.00 O ATOM 728 CG2 THR B 27 -11.927 1.139 -5.826 1.00 0.00 C ATOM 0 H THR B 27 -9.882 -1.489 -3.382 1.00 0.00 H new ATOM 0 HA THR B 27 -11.396 1.014 -3.383 1.00 0.00 H new ATOM 0 HB THR B 27 -13.146 -0.381 -4.913 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.676 -0.895 -6.227 1.00 0.00 H new ATOM 0 HG21 THR B 27 -12.406 1.043 -6.800 1.00 0.00 H new ATOM 0 HG22 THR B 27 -12.394 1.952 -5.270 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.867 1.355 -5.962 1.00 0.00 H new ATOM 736 N PRO B 28 -13.302 -0.287 -2.209 1.00 0.00 N ATOM 737 CA PRO B 28 -14.177 -0.928 -1.212 1.00 0.00 C ATOM 738 C PRO B 28 -15.033 -2.013 -1.873 1.00 0.00 C ATOM 739 O PRO B 28 -15.003 -2.195 -3.074 1.00 0.00 O ATOM 740 CB PRO B 28 -15.049 0.223 -0.707 1.00 0.00 C ATOM 741 CG PRO B 28 -15.027 1.307 -1.813 1.00 0.00 C ATOM 742 CD PRO B 28 -13.777 1.035 -2.670 1.00 0.00 C ATOM 0 HA PRO B 28 -13.626 -1.421 -0.411 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -16.067 -0.116 -0.516 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -14.663 0.619 0.232 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -15.931 1.260 -2.420 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -14.988 2.305 -1.377 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -14.018 1.023 -3.733 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -13.019 1.804 -2.523 1.00 0.00 H new ATOM 750 N LYS B 29 -15.796 -2.734 -1.097 1.00 0.00 N ATOM 751 CA LYS B 29 -16.652 -3.806 -1.681 1.00 0.00 C ATOM 752 C LYS B 29 -18.124 -3.409 -1.555 1.00 0.00 C ATOM 753 O LYS B 29 -18.995 -4.023 -2.139 1.00 0.00 O ATOM 754 CB LYS B 29 -16.411 -5.117 -0.930 1.00 0.00 C ATOM 755 CG LYS B 29 -16.845 -6.295 -1.805 1.00 0.00 C ATOM 756 CD LYS B 29 -17.432 -7.397 -0.921 1.00 0.00 C ATOM 757 CE LYS B 29 -16.435 -7.751 0.184 1.00 0.00 C ATOM 758 NZ LYS B 29 -16.360 -9.232 0.329 1.00 0.00 N ATOM 0 H LYS B 29 -15.864 -2.627 -0.085 1.00 0.00 H new ATOM 0 HA LYS B 29 -16.401 -3.939 -2.733 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -15.356 -5.212 -0.672 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -16.970 -5.120 0.006 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -17.585 -5.967 -2.535 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -15.993 -6.679 -2.366 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -18.373 -7.064 -0.483 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.654 -8.279 -1.521 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.451 -7.348 -0.056 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -16.744 -7.298 1.126 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -15.682 -9.473 1.080 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.299 -9.605 0.577 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -16.046 -9.653 -0.569 1.00 0.00 H new ATOM 772 N THR B 30 -18.410 -2.388 -0.796 1.00 0.00 N ATOM 773 CA THR B 30 -19.826 -1.953 -0.632 1.00 0.00 C ATOM 774 C THR B 30 -20.027 -0.599 -1.317 1.00 0.00 C ATOM 775 O THR B 30 -20.998 -0.470 -2.094 1.00 0.00 O ATOM 776 CB THR B 30 -20.151 -1.824 0.858 1.00 0.00 C ATOM 777 OG1 THR B 30 -19.325 -0.822 1.436 1.00 0.00 O ATOM 778 CG2 THR B 30 -19.898 -3.161 1.556 1.00 0.00 C ATOM 779 OXT THR B 30 -19.215 0.322 -1.074 1.00 0.00 O ATOM 0 H THR B 30 -17.724 -1.835 -0.282 1.00 0.00 H new ATOM 0 HA THR B 30 -20.487 -2.691 -1.086 1.00 0.00 H new ATOM 0 HB THR B 30 -21.198 -1.547 0.979 1.00 0.00 H new ATOM 0 HG1 THR B 30 -19.120 -0.139 0.764 1.00 0.00 H new ATOM 0 HG21 THR B 30 -20.130 -3.067 2.617 1.00 0.00 H new ATOM 0 HG22 THR B 30 -20.532 -3.929 1.112 1.00 0.00 H new ATOM 0 HG23 THR B 30 -18.851 -3.441 1.437 1.00 0.00 H new TER 787 THR B 30