USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 764 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 Single : A 1 HIS : no HD1:sc= -0.0844 X(o=-0.084,f=-0.084) USER MOD Single : A 1 HIS N :NH3+ -129:sc= 0.0828 (180deg=-0.163) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.68) USER MOD Single : A 6 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.052) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot -58:sc= -7.58! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.53! C(o=-1.5!,f=-4.1!) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.424 F(o=-1.9!,f=-0.42) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 96:sc= -1.98 USER MOD Single : B 1 HIS : no HD1:sc= -0.0832 X(o=-0.083,f=-0.083) USER MOD Single : B 1 HIS N :NH3+ -128:sc= 0.0847 (180deg=-0.17) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.66) USER MOD Single : B 6 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.053) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 18 TYR OH : rot -59:sc= -7.8! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= -1.46! C(o=-1.5!,f=-4!) USER MOD Single : B 26 GLN : amide:sc= -1.63! X(o=-1.6!,f=-1.4) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 96:sc= -1.85 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -3.545 8.655 19.649 1.00 10.00 N ATOM 2 CA HIS A 1 -3.204 9.209 18.307 1.00 10.00 C ATOM 3 C HIS A 1 -1.917 10.035 18.388 1.00 10.00 C ATOM 4 O HIS A 1 -1.409 10.307 19.459 1.00 10.00 O ATOM 5 CB HIS A 1 -4.390 10.099 17.932 1.00 10.00 C ATOM 6 CG HIS A 1 -5.600 9.241 17.674 1.00 10.00 C ATOM 7 ND1 HIS A 1 -6.748 9.329 18.446 1.00 10.00 N ATOM 8 CD2 HIS A 1 -5.855 8.273 16.733 1.00 10.00 C ATOM 9 CE1 HIS A 1 -7.632 8.439 17.962 1.00 10.00 C ATOM 10 NE2 HIS A 1 -7.139 7.769 16.917 1.00 10.00 N ATOM 0 H1 HIS A 1 -3.715 7.632 19.569 1.00 10.00 H new ATOM 0 H2 HIS A 1 -2.756 8.825 20.305 1.00 10.00 H new ATOM 0 H3 HIS A 1 -4.402 9.121 20.010 1.00 10.00 H new ATOM 0 HA HIS A 1 -3.033 8.426 17.568 1.00 10.00 H new ATOM 0 HB2 HIS A 1 -4.597 10.805 18.736 1.00 10.00 H new ATOM 0 HB3 HIS A 1 -4.152 10.686 17.045 1.00 10.00 H new ATOM 0 HD2 HIS A 1 -5.164 7.952 15.967 1.00 10.00 H new ATOM 0 HE1 HIS A 1 -8.620 8.285 18.369 1.00 10.00 H new ATOM 0 HE2 HIS A 1 -7.604 7.044 16.371 1.00 10.00 H new ATOM 20 N MET A 2 -1.385 10.433 17.266 1.00 10.00 N ATOM 21 CA MET A 2 -0.131 11.239 17.277 1.00 10.00 C ATOM 22 C MET A 2 -0.378 12.604 16.624 1.00 10.00 C ATOM 23 O MET A 2 -0.028 13.634 17.164 1.00 10.00 O ATOM 24 CB MET A 2 0.871 10.416 16.462 1.00 10.00 C ATOM 25 CG MET A 2 1.827 11.349 15.713 1.00 10.00 C ATOM 26 SD MET A 2 2.671 12.428 16.895 1.00 10.00 S ATOM 27 CE MET A 2 3.855 13.151 15.732 1.00 10.00 C ATOM 0 H MET A 2 -1.765 10.235 16.340 1.00 10.00 H new ATOM 0 HA MET A 2 0.233 11.435 18.286 1.00 10.00 H new ATOM 0 HB2 MET A 2 1.435 9.757 17.122 1.00 10.00 H new ATOM 0 HB3 MET A 2 0.341 9.780 15.753 1.00 10.00 H new ATOM 0 HG2 MET A 2 2.557 10.765 15.153 1.00 10.00 H new ATOM 0 HG3 MET A 2 1.274 11.948 14.989 1.00 10.00 H new ATOM 0 HE1 MET A 2 4.492 13.863 16.257 1.00 10.00 H new ATOM 0 HE2 MET A 2 4.471 12.361 15.302 1.00 10.00 H new ATOM 0 HE3 MET A 2 3.316 13.665 14.936 1.00 10.00 H new ATOM 37 N GLY A 3 -0.981 12.615 15.467 1.00 10.00 N ATOM 38 CA GLY A 3 -1.252 13.910 14.778 1.00 10.00 C ATOM 39 C GLY A 3 -1.515 13.653 13.294 1.00 10.00 C ATOM 40 O GLY A 3 -2.325 12.823 12.932 1.00 10.00 O ATOM 0 H GLY A 3 -1.298 11.784 14.968 1.00 10.00 H new ATOM 0 HA2 GLY A 3 -2.113 14.402 15.231 1.00 10.00 H new ATOM 0 HA3 GLY A 3 -0.402 14.582 14.897 1.00 10.00 H new ATOM 44 N HIS A 4 -0.834 14.355 12.430 1.00 10.00 N ATOM 45 CA HIS A 4 -1.045 14.147 10.969 1.00 10.00 C ATOM 46 C HIS A 4 0.199 13.507 10.344 1.00 10.00 C ATOM 47 O HIS A 4 1.188 13.273 11.009 1.00 10.00 O ATOM 48 CB HIS A 4 -1.289 15.550 10.398 1.00 10.00 C ATOM 49 CG HIS A 4 0.000 16.123 9.868 1.00 10.00 C ATOM 50 ND1 HIS A 4 0.211 16.341 8.515 1.00 10.00 N ATOM 51 CD2 HIS A 4 1.151 16.529 10.496 1.00 10.00 C ATOM 52 CE1 HIS A 4 1.446 16.855 8.374 1.00 10.00 C ATOM 53 NE2 HIS A 4 2.063 16.991 9.551 1.00 10.00 N ATOM 0 H HIS A 4 -0.141 15.063 12.672 1.00 10.00 H new ATOM 0 HA HIS A 4 -1.880 13.478 10.759 1.00 10.00 H new ATOM 0 HB2 HIS A 4 -2.031 15.503 9.600 1.00 10.00 H new ATOM 0 HB3 HIS A 4 -1.695 16.201 11.172 1.00 10.00 H new ATOM 0 HD2 HIS A 4 1.323 16.495 11.562 1.00 10.00 H new ATOM 0 HE1 HIS A 4 1.885 17.125 7.425 1.00 10.00 H new ATOM 0 HE2 HIS A 4 3.001 17.355 9.721 1.00 10.00 H new ATOM 61 N ILE A 5 0.157 13.223 9.070 1.00 10.00 N ATOM 62 CA ILE A 5 1.340 12.599 8.410 1.00 10.00 C ATOM 63 C ILE A 5 1.571 13.231 7.032 1.00 10.00 C ATOM 64 O ILE A 5 1.010 14.260 6.709 1.00 10.00 O ATOM 65 CB ILE A 5 0.978 11.116 8.281 1.00 10.00 C ATOM 66 CG1 ILE A 5 2.253 10.273 8.371 1.00 10.00 C ATOM 67 CG2 ILE A 5 0.290 10.861 6.938 1.00 10.00 C ATOM 68 CD1 ILE A 5 2.475 9.835 9.819 1.00 10.00 C ATOM 0 H ILE A 5 -0.642 13.395 8.460 1.00 10.00 H new ATOM 0 HA ILE A 5 2.260 12.743 8.976 1.00 10.00 H new ATOM 0 HB ILE A 5 0.298 10.841 9.087 1.00 10.00 H new ATOM 0 HG12 ILE A 5 2.170 9.399 7.724 1.00 10.00 H new ATOM 0 HG13 ILE A 5 3.108 10.850 8.019 1.00 10.00 H new ATOM 0 HG21 ILE A 5 0.036 9.804 6.854 1.00 10.00 H new ATOM 0 HG22 ILE A 5 -0.619 11.459 6.876 1.00 10.00 H new ATOM 0 HG23 ILE A 5 0.963 11.138 6.126 1.00 10.00 H new ATOM 0 HD11 ILE A 5 3.383 9.235 9.883 1.00 10.00 H new ATOM 0 HD12 ILE A 5 2.577 10.715 10.454 1.00 10.00 H new ATOM 0 HD13 ILE A 5 1.624 9.242 10.154 1.00 10.00 H new ATOM 80 N GLN A 6 2.393 12.625 6.219 1.00 10.00 N ATOM 81 CA GLN A 6 2.657 13.193 4.866 1.00 10.00 C ATOM 82 C GLN A 6 3.321 12.142 3.973 1.00 10.00 C ATOM 83 O GLN A 6 3.995 11.248 4.445 1.00 10.00 O ATOM 84 CB GLN A 6 3.605 14.368 5.110 1.00 10.00 C ATOM 85 CG GLN A 6 3.199 15.546 4.222 1.00 10.00 C ATOM 86 CD GLN A 6 3.209 16.834 5.048 1.00 10.00 C ATOM 87 OE1 GLN A 6 2.349 17.678 4.890 1.00 10.00 O ATOM 88 NE2 GLN A 6 4.153 17.022 5.929 1.00 10.00 N ATOM 0 H GLN A 6 2.893 11.762 6.433 1.00 10.00 H new ATOM 0 HA GLN A 6 1.743 13.505 4.362 1.00 10.00 H new ATOM 0 HB2 GLN A 6 3.574 14.662 6.159 1.00 10.00 H new ATOM 0 HB3 GLN A 6 4.631 14.072 4.893 1.00 10.00 H new ATOM 0 HG2 GLN A 6 3.887 15.635 3.381 1.00 10.00 H new ATOM 0 HG3 GLN A 6 2.206 15.376 3.805 1.00 10.00 H new ATOM 0 HE21 GLN A 6 4.875 16.314 6.062 1.00 10.00 H new ATOM 0 HE22 GLN A 6 4.169 17.877 6.485 1.00 10.00 H new ATOM 97 N ILE A 7 3.135 12.241 2.684 1.00 10.00 N ATOM 98 CA ILE A 7 3.755 11.246 1.763 1.00 10.00 C ATOM 99 C ILE A 7 4.100 11.908 0.424 1.00 10.00 C ATOM 100 O ILE A 7 3.224 12.335 -0.301 1.00 10.00 O ATOM 101 CB ILE A 7 2.688 10.166 1.573 1.00 10.00 C ATOM 102 CG1 ILE A 7 2.756 9.176 2.740 1.00 10.00 C ATOM 103 CG2 ILE A 7 2.933 9.421 0.260 1.00 10.00 C ATOM 104 CD1 ILE A 7 4.084 8.418 2.691 1.00 10.00 C ATOM 0 H ILE A 7 2.581 12.967 2.230 1.00 10.00 H new ATOM 0 HA ILE A 7 4.683 10.835 2.160 1.00 10.00 H new ATOM 0 HB ILE A 7 1.703 10.633 1.543 1.00 10.00 H new ATOM 0 HG12 ILE A 7 2.663 9.707 3.687 1.00 10.00 H new ATOM 0 HG13 ILE A 7 1.923 8.475 2.685 1.00 10.00 H new ATOM 0 HG21 ILE A 7 2.170 8.653 0.130 1.00 10.00 H new ATOM 0 HG22 ILE A 7 2.886 10.124 -0.572 1.00 10.00 H new ATOM 0 HG23 ILE A 7 3.918 8.954 0.285 1.00 10.00 H new ATOM 0 HD11 ILE A 7 4.132 7.714 3.522 1.00 10.00 H new ATOM 0 HD12 ILE A 7 4.158 7.874 1.749 1.00 10.00 H new ATOM 0 HD13 ILE A 7 4.910 9.125 2.767 1.00 10.00 H new ATOM 116 N PRO A 8 5.373 11.968 0.144 1.00 10.00 N ATOM 117 CA PRO A 8 5.850 12.581 -1.118 1.00 10.00 C ATOM 118 C PRO A 8 5.510 11.690 -2.314 1.00 10.00 C ATOM 119 O PRO A 8 5.516 10.479 -2.209 1.00 10.00 O ATOM 120 CB PRO A 8 7.357 12.679 -0.925 1.00 10.00 C ATOM 121 CG PRO A 8 7.678 11.620 0.070 1.00 10.00 C ATOM 122 CD PRO A 8 6.478 11.475 0.967 1.00 10.00 C ATOM 0 HA PRO A 8 5.388 13.547 -1.322 1.00 10.00 H new ATOM 0 HB2 PRO A 8 7.888 12.516 -1.863 1.00 10.00 H new ATOM 0 HB3 PRO A 8 7.647 13.665 -0.562 1.00 10.00 H new ATOM 0 HG2 PRO A 8 7.901 10.677 -0.430 1.00 10.00 H new ATOM 0 HG3 PRO A 8 8.561 11.891 0.649 1.00 10.00 H new ATOM 0 HD2 PRO A 8 6.324 10.438 1.266 1.00 10.00 H new ATOM 0 HD3 PRO A 8 6.588 12.058 1.882 1.00 10.00 H new ATOM 130 N PRO A 9 5.222 12.325 -3.416 1.00 10.00 N ATOM 131 CA PRO A 9 4.873 11.586 -4.653 1.00 10.00 C ATOM 132 C PRO A 9 6.124 10.953 -5.269 1.00 10.00 C ATOM 133 O PRO A 9 7.232 11.389 -5.030 1.00 10.00 O ATOM 134 CB PRO A 9 4.304 12.666 -5.568 1.00 10.00 C ATOM 135 CG PRO A 9 4.913 13.945 -5.085 1.00 10.00 C ATOM 136 CD PRO A 9 5.196 13.778 -3.613 1.00 10.00 C ATOM 0 HA PRO A 9 4.173 10.769 -4.480 1.00 10.00 H new ATOM 0 HB2 PRO A 9 4.561 12.476 -6.610 1.00 10.00 H new ATOM 0 HB3 PRO A 9 3.216 12.700 -5.509 1.00 10.00 H new ATOM 0 HG2 PRO A 9 5.831 14.164 -5.631 1.00 10.00 H new ATOM 0 HG3 PRO A 9 4.235 14.782 -5.254 1.00 10.00 H new ATOM 0 HD2 PRO A 9 6.146 14.235 -3.335 1.00 10.00 H new ATOM 0 HD3 PRO A 9 4.425 14.249 -3.003 1.00 10.00 H new ATOM 144 N GLY A 10 5.954 9.929 -6.061 1.00 10.00 N ATOM 145 CA GLY A 10 7.133 9.272 -6.693 1.00 10.00 C ATOM 146 C GLY A 10 7.645 8.155 -5.783 1.00 10.00 C ATOM 147 O GLY A 10 8.198 7.174 -6.239 1.00 10.00 O ATOM 0 H GLY A 10 5.050 9.520 -6.297 1.00 10.00 H new ATOM 0 HA2 GLY A 10 6.857 8.865 -7.666 1.00 10.00 H new ATOM 0 HA3 GLY A 10 7.921 10.005 -6.866 1.00 10.00 H new ATOM 151 N LEU A 11 7.469 8.296 -4.498 1.00 10.00 N ATOM 152 CA LEU A 11 7.949 7.241 -3.561 1.00 10.00 C ATOM 153 C LEU A 11 7.311 5.893 -3.910 1.00 10.00 C ATOM 154 O LEU A 11 7.993 4.906 -4.108 1.00 10.00 O ATOM 155 CB LEU A 11 7.498 7.705 -2.175 1.00 10.00 C ATOM 156 CG LEU A 11 7.834 6.629 -1.143 1.00 10.00 C ATOM 157 CD1 LEU A 11 9.349 6.424 -1.094 1.00 10.00 C ATOM 158 CD2 LEU A 11 7.334 7.070 0.234 1.00 10.00 C ATOM 0 H LEU A 11 7.014 9.095 -4.057 1.00 10.00 H new ATOM 0 HA LEU A 11 9.029 7.104 -3.613 1.00 10.00 H new ATOM 0 HB2 LEU A 11 7.992 8.641 -1.914 1.00 10.00 H new ATOM 0 HB3 LEU A 11 6.426 7.901 -2.176 1.00 10.00 H new ATOM 0 HG LEU A 11 7.350 5.693 -1.423 1.00 10.00 H new ATOM 0 HD11 LEU A 11 9.589 5.657 -0.358 1.00 10.00 H new ATOM 0 HD12 LEU A 11 9.706 6.110 -2.075 1.00 10.00 H new ATOM 0 HD13 LEU A 11 9.834 7.359 -0.814 1.00 10.00 H new ATOM 0 HD21 LEU A 11 7.573 6.303 0.971 1.00 10.00 H new ATOM 0 HD22 LEU A 11 7.818 8.006 0.514 1.00 10.00 H new ATOM 0 HD23 LEU A 11 6.254 7.216 0.200 1.00 10.00 H new ATOM 170 N THR A 12 6.009 5.842 -3.985 1.00 10.00 N ATOM 171 CA THR A 12 5.331 4.557 -4.320 1.00 10.00 C ATOM 172 C THR A 12 5.945 3.952 -5.585 1.00 10.00 C ATOM 173 O THR A 12 6.026 2.749 -5.735 1.00 10.00 O ATOM 174 CB THR A 12 3.860 4.932 -4.540 1.00 10.00 C ATOM 175 OG1 THR A 12 3.036 4.063 -3.775 1.00 10.00 O ATOM 176 CG2 THR A 12 3.497 4.804 -6.023 1.00 10.00 C ATOM 0 H THR A 12 5.386 6.634 -3.829 1.00 10.00 H new ATOM 0 HA THR A 12 5.440 3.808 -3.535 1.00 10.00 H new ATOM 0 HB THR A 12 3.704 5.964 -4.226 1.00 10.00 H new ATOM 0 HG1 THR A 12 2.095 4.300 -3.911 1.00 10.00 H new ATOM 0 HG21 THR A 12 2.450 5.073 -6.166 1.00 10.00 H new ATOM 0 HG22 THR A 12 4.127 5.472 -6.611 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.655 3.776 -6.349 1.00 10.00 H new ATOM 184 N GLU A 13 6.380 4.779 -6.493 1.00 10.00 N ATOM 185 CA GLU A 13 6.991 4.258 -7.750 1.00 10.00 C ATOM 186 C GLU A 13 8.252 3.452 -7.427 1.00 10.00 C ATOM 187 O GLU A 13 8.380 2.304 -7.805 1.00 10.00 O ATOM 188 CB GLU A 13 7.346 5.501 -8.565 1.00 10.00 C ATOM 189 CG GLU A 13 6.801 5.351 -9.987 1.00 10.00 C ATOM 190 CD GLU A 13 7.333 4.056 -10.604 1.00 10.00 C ATOM 191 OE1 GLU A 13 8.506 3.775 -10.423 1.00 10.00 O ATOM 192 OE2 GLU A 13 6.557 3.366 -11.245 1.00 10.00 O ATOM 0 H GLU A 13 6.339 5.796 -6.420 1.00 10.00 H new ATOM 0 HA GLU A 13 6.317 3.595 -8.292 1.00 10.00 H new ATOM 0 HB2 GLU A 13 6.925 6.390 -8.095 1.00 10.00 H new ATOM 0 HB3 GLU A 13 8.427 5.636 -8.591 1.00 10.00 H new ATOM 0 HG2 GLU A 13 5.711 5.337 -9.971 1.00 10.00 H new ATOM 0 HG3 GLU A 13 7.100 6.205 -10.594 1.00 10.00 H new ATOM 199 N LEU A 14 9.184 4.044 -6.732 1.00 10.00 N ATOM 200 CA LEU A 14 10.434 3.309 -6.386 1.00 10.00 C ATOM 201 C LEU A 14 10.094 1.996 -5.678 1.00 10.00 C ATOM 202 O LEU A 14 10.461 0.926 -6.123 1.00 10.00 O ATOM 203 CB LEU A 14 11.195 4.243 -5.446 1.00 10.00 C ATOM 204 CG LEU A 14 12.227 5.043 -6.243 1.00 10.00 C ATOM 205 CD1 LEU A 14 12.942 6.024 -5.312 1.00 10.00 C ATOM 206 CD2 LEU A 14 13.251 4.085 -6.855 1.00 10.00 C ATOM 0 H LEU A 14 9.135 5.003 -6.389 1.00 10.00 H new ATOM 0 HA LEU A 14 11.021 3.052 -7.268 1.00 10.00 H new ATOM 0 HB2 LEU A 14 10.500 4.920 -4.949 1.00 10.00 H new ATOM 0 HB3 LEU A 14 11.691 3.665 -4.666 1.00 10.00 H new ATOM 0 HG LEU A 14 11.724 5.596 -7.037 1.00 10.00 H new ATOM 0 HD11 LEU A 14 13.677 6.594 -5.880 1.00 10.00 H new ATOM 0 HD12 LEU A 14 12.214 6.706 -4.874 1.00 10.00 H new ATOM 0 HD13 LEU A 14 13.445 5.472 -4.518 1.00 10.00 H new ATOM 0 HD21 LEU A 14 13.987 4.654 -7.423 1.00 10.00 H new ATOM 0 HD22 LEU A 14 13.753 3.533 -6.060 1.00 10.00 H new ATOM 0 HD23 LEU A 14 12.743 3.385 -7.518 1.00 10.00 H new ATOM 218 N LEU A 15 9.397 2.068 -4.578 1.00 10.00 N ATOM 219 CA LEU A 15 9.035 0.824 -3.842 1.00 10.00 C ATOM 220 C LEU A 15 8.379 -0.182 -4.791 1.00 10.00 C ATOM 221 O LEU A 15 8.764 -1.333 -4.852 1.00 10.00 O ATOM 222 CB LEU A 15 8.047 1.270 -2.764 1.00 10.00 C ATOM 223 CG LEU A 15 8.713 2.309 -1.860 1.00 10.00 C ATOM 224 CD1 LEU A 15 7.856 2.526 -0.612 1.00 10.00 C ATOM 225 CD2 LEU A 15 10.098 1.809 -1.444 1.00 10.00 C ATOM 0 H LEU A 15 9.062 2.935 -4.157 1.00 10.00 H new ATOM 0 HA LEU A 15 9.908 0.332 -3.413 1.00 10.00 H new ATOM 0 HB2 LEU A 15 7.155 1.693 -3.226 1.00 10.00 H new ATOM 0 HB3 LEU A 15 7.725 0.412 -2.174 1.00 10.00 H new ATOM 0 HG LEU A 15 8.812 3.250 -2.401 1.00 10.00 H new ATOM 0 HD11 LEU A 15 8.331 3.266 0.032 1.00 10.00 H new ATOM 0 HD12 LEU A 15 6.868 2.881 -0.906 1.00 10.00 H new ATOM 0 HD13 LEU A 15 7.757 1.585 -0.071 1.00 10.00 H new ATOM 0 HD21 LEU A 15 10.573 2.549 -0.800 1.00 10.00 H new ATOM 0 HD22 LEU A 15 9.998 0.868 -0.903 1.00 10.00 H new ATOM 0 HD23 LEU A 15 10.711 1.654 -2.332 1.00 10.00 H new ATOM 237 N GLN A 16 7.393 0.241 -5.535 1.00 10.00 N ATOM 238 CA GLN A 16 6.722 -0.696 -6.481 1.00 10.00 C ATOM 239 C GLN A 16 7.767 -1.557 -7.190 1.00 10.00 C ATOM 240 O GLN A 16 7.740 -2.770 -7.116 1.00 10.00 O ATOM 241 CB GLN A 16 5.997 0.199 -7.484 1.00 10.00 C ATOM 242 CG GLN A 16 4.560 -0.294 -7.663 1.00 10.00 C ATOM 243 CD GLN A 16 3.890 0.486 -8.794 1.00 10.00 C ATOM 244 OE1 GLN A 16 3.518 1.629 -8.622 1.00 10.00 O ATOM 245 NE2 GLN A 16 3.720 -0.088 -9.954 1.00 10.00 N ATOM 0 H GLN A 16 7.024 1.192 -5.529 1.00 10.00 H new ATOM 0 HA GLN A 16 6.035 -1.374 -5.975 1.00 10.00 H new ATOM 0 HB2 GLN A 16 5.998 1.231 -7.133 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.519 0.187 -8.441 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.556 -1.360 -7.890 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.001 -0.163 -6.736 1.00 10.00 H new ATOM 0 HE21 GLN A 16 4.032 -1.048 -10.099 1.00 10.00 H new ATOM 0 HE22 GLN A 16 3.275 0.424 -10.716 1.00 10.00 H new ATOM 254 N GLY A 17 8.692 -0.940 -7.873 1.00 10.00 N ATOM 255 CA GLY A 17 9.740 -1.727 -8.577 1.00 10.00 C ATOM 256 C GLY A 17 10.249 -2.822 -7.643 1.00 10.00 C ATOM 257 O GLY A 17 10.322 -3.979 -8.007 1.00 10.00 O ATOM 0 H GLY A 17 8.766 0.072 -7.973 1.00 10.00 H new ATOM 0 HA2 GLY A 17 9.333 -2.167 -9.487 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.561 -1.076 -8.878 1.00 10.00 H new ATOM 261 N TYR A 18 10.595 -2.466 -6.434 1.00 10.00 N ATOM 262 CA TYR A 18 11.092 -3.484 -5.467 1.00 10.00 C ATOM 263 C TYR A 18 10.262 -4.765 -5.579 1.00 10.00 C ATOM 264 O TYR A 18 10.765 -5.813 -5.934 1.00 10.00 O ATOM 265 CB TYR A 18 10.907 -2.848 -4.091 1.00 10.00 C ATOM 266 CG TYR A 18 12.071 -3.225 -3.210 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.379 -3.094 -3.690 1.00 10.00 C ATOM 268 CD2 TYR A 18 11.844 -3.711 -1.916 1.00 10.00 C ATOM 269 CE1 TYR A 18 14.462 -3.448 -2.876 1.00 10.00 C ATOM 270 CE2 TYR A 18 12.926 -4.066 -1.103 1.00 10.00 C ATOM 271 CZ TYR A 18 14.235 -3.934 -1.583 1.00 10.00 C ATOM 272 OH TYR A 18 15.301 -4.287 -0.783 1.00 10.00 O ATOM 0 H TYR A 18 10.554 -1.512 -6.075 1.00 10.00 H new ATOM 0 HA TYR A 18 12.131 -3.758 -5.653 1.00 10.00 H new ATOM 0 HB2 TYR A 18 10.842 -1.764 -4.184 1.00 10.00 H new ATOM 0 HB3 TYR A 18 9.972 -3.186 -3.644 1.00 10.00 H new ATOM 0 HD1 TYR A 18 13.553 -2.720 -4.688 1.00 10.00 H new ATOM 0 HD2 TYR A 18 10.834 -3.812 -1.546 1.00 10.00 H new ATOM 0 HE1 TYR A 18 15.472 -3.346 -3.245 1.00 10.00 H new ATOM 0 HE2 TYR A 18 12.752 -4.442 -0.106 1.00 10.00 H new ATOM 0 HH TYR A 18 15.836 -4.973 -1.234 1.00 10.00 H new ATOM 282 N THR A 19 8.995 -4.687 -5.281 1.00 10.00 N ATOM 283 CA THR A 19 8.135 -5.901 -5.375 1.00 10.00 C ATOM 284 C THR A 19 8.358 -6.588 -6.724 1.00 10.00 C ATOM 285 O THR A 19 8.329 -7.797 -6.829 1.00 10.00 O ATOM 286 CB THR A 19 6.700 -5.376 -5.245 1.00 10.00 C ATOM 287 OG1 THR A 19 6.127 -5.866 -4.041 1.00 10.00 O ATOM 288 CG2 THR A 19 5.855 -5.839 -6.436 1.00 10.00 C ATOM 0 H THR A 19 8.518 -3.838 -4.977 1.00 10.00 H new ATOM 0 HA THR A 19 8.358 -6.642 -4.607 1.00 10.00 H new ATOM 0 HB THR A 19 6.721 -4.286 -5.229 1.00 10.00 H new ATOM 0 HG1 THR A 19 5.210 -5.530 -3.955 1.00 10.00 H new ATOM 0 HG21 THR A 19 4.839 -5.459 -6.331 1.00 10.00 H new ATOM 0 HG22 THR A 19 6.290 -5.459 -7.360 1.00 10.00 H new ATOM 0 HG23 THR A 19 5.834 -6.928 -6.466 1.00 10.00 H new ATOM 296 N VAL A 20 8.583 -5.822 -7.755 1.00 10.00 N ATOM 297 CA VAL A 20 8.812 -6.425 -9.098 1.00 10.00 C ATOM 298 C VAL A 20 10.199 -7.069 -9.154 1.00 10.00 C ATOM 299 O VAL A 20 10.439 -7.982 -9.919 1.00 10.00 O ATOM 300 CB VAL A 20 8.726 -5.257 -10.078 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.734 -5.793 -11.511 1.00 10.00 C ATOM 302 CG2 VAL A 20 7.432 -4.476 -9.833 1.00 10.00 C ATOM 0 H VAL A 20 8.618 -4.803 -7.726 1.00 10.00 H new ATOM 0 HA VAL A 20 8.087 -7.205 -9.330 1.00 10.00 H new ATOM 0 HB VAL A 20 9.581 -4.597 -9.931 1.00 10.00 H new ATOM 0 HG11 VAL A 20 8.673 -4.960 -12.211 1.00 10.00 H new ATOM 0 HG12 VAL A 20 9.656 -6.348 -11.687 1.00 10.00 H new ATOM 0 HG13 VAL A 20 7.879 -6.454 -11.657 1.00 10.00 H new ATOM 0 HG21 VAL A 20 7.372 -3.643 -10.533 1.00 10.00 H new ATOM 0 HG22 VAL A 20 6.576 -5.135 -9.979 1.00 10.00 H new ATOM 0 HG23 VAL A 20 7.426 -4.094 -8.812 1.00 10.00 H new ATOM 312 N GLU A 21 11.112 -6.603 -8.348 1.00 10.00 N ATOM 313 CA GLU A 21 12.482 -7.195 -8.358 1.00 10.00 C ATOM 314 C GLU A 21 12.561 -8.331 -7.342 1.00 10.00 C ATOM 315 O GLU A 21 12.892 -9.454 -7.667 1.00 10.00 O ATOM 316 CB GLU A 21 13.433 -6.071 -7.944 1.00 10.00 C ATOM 317 CG GLU A 21 12.769 -4.717 -8.164 1.00 10.00 C ATOM 318 CD GLU A 21 13.837 -3.663 -8.460 1.00 10.00 C ATOM 319 OE1 GLU A 21 14.816 -4.005 -9.102 1.00 10.00 O ATOM 320 OE2 GLU A 21 13.659 -2.532 -8.037 1.00 10.00 O ATOM 0 H GLU A 21 10.971 -5.841 -7.685 1.00 10.00 H new ATOM 0 HA GLU A 21 12.736 -7.598 -9.339 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.708 -6.184 -6.895 1.00 10.00 H new ATOM 0 HB3 GLU A 21 14.354 -6.132 -8.523 1.00 10.00 H new ATOM 0 HG2 GLU A 21 12.064 -4.777 -8.993 1.00 10.00 H new ATOM 0 HG3 GLU A 21 12.198 -4.433 -7.280 1.00 10.00 H new ATOM 327 N VAL A 22 12.258 -8.034 -6.111 1.00 10.00 N ATOM 328 CA VAL A 22 12.312 -9.081 -5.054 1.00 10.00 C ATOM 329 C VAL A 22 11.557 -10.330 -5.516 1.00 10.00 C ATOM 330 O VAL A 22 11.856 -11.434 -5.109 1.00 10.00 O ATOM 331 CB VAL A 22 11.625 -8.456 -3.839 1.00 10.00 C ATOM 332 CG1 VAL A 22 11.984 -9.255 -2.591 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.100 -7.011 -3.662 1.00 10.00 C ATOM 0 H VAL A 22 11.974 -7.108 -5.790 1.00 10.00 H new ATOM 0 HA VAL A 22 13.333 -9.390 -4.827 1.00 10.00 H new ATOM 0 HB VAL A 22 10.546 -8.468 -3.990 1.00 10.00 H new ATOM 0 HG11 VAL A 22 11.496 -8.812 -1.723 1.00 10.00 H new ATOM 0 HG12 VAL A 22 11.649 -10.285 -2.710 1.00 10.00 H new ATOM 0 HG13 VAL A 22 13.064 -9.239 -2.447 1.00 10.00 H new ATOM 0 HG21 VAL A 22 11.608 -6.570 -2.795 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.180 -6.999 -3.512 1.00 10.00 H new ATOM 0 HG23 VAL A 22 11.851 -6.434 -4.553 1.00 10.00 H new ATOM 343 N LEU A 23A 10.582 -10.161 -6.366 1.00 10.00 N ATOM 344 CA LEU A 23A 9.810 -11.338 -6.857 1.00 10.00 C ATOM 345 C LEU A 23A 10.488 -11.929 -8.097 1.00 10.00 C ATOM 346 O LEU A 23A 10.502 -13.127 -8.294 1.00 10.00 O ATOM 347 CB LEU A 23A 8.426 -10.788 -7.206 1.00 10.00 C ATOM 348 CG LEU A 23A 7.708 -10.373 -5.920 1.00 10.00 C ATOM 349 CD1 LEU A 23A 6.357 -9.745 -6.269 1.00 10.00 C ATOM 350 CD2 LEU A 23A 7.484 -11.606 -5.042 1.00 10.00 C ATOM 0 H LEU A 23A 10.286 -9.260 -6.742 1.00 10.00 H new ATOM 0 HA LEU A 23A 9.752 -12.136 -6.117 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 8.520 -9.933 -7.876 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 7.844 -11.544 -7.733 1.00 10.00 H new ATOM 0 HG LEU A 23A 8.318 -9.647 -5.382 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 5.846 -9.449 -5.353 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 6.515 -8.867 -6.896 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 5.747 -10.470 -6.807 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 6.973 -11.312 -4.125 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 6.874 -12.331 -5.581 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 8.446 -12.055 -4.793 1.00 10.00 H new ATOM 362 N ARG A 24 11.052 -11.098 -8.932 1.00 10.00 N ATOM 363 CA ARG A 24 11.733 -11.617 -10.154 1.00 10.00 C ATOM 364 C ARG A 24 13.103 -12.193 -9.789 1.00 10.00 C ATOM 365 O ARG A 24 13.457 -13.284 -10.189 1.00 10.00 O ATOM 366 CB ARG A 24 11.891 -10.401 -11.067 1.00 10.00 C ATOM 367 CG ARG A 24 10.964 -10.542 -12.277 1.00 10.00 C ATOM 368 CD ARG A 24 9.512 -10.646 -11.801 1.00 10.00 C ATOM 369 NE ARG A 24 9.234 -12.107 -11.734 1.00 10.00 N ATOM 370 CZ ARG A 24 9.323 -12.839 -12.811 1.00 10.00 C ATOM 371 NH1 ARG A 24 8.406 -12.757 -13.735 1.00 10.00 N ATOM 372 NH2 ARG A 24 10.332 -13.652 -12.964 1.00 10.00 N ATOM 0 H ARG A 24 11.071 -10.084 -8.821 1.00 10.00 H new ATOM 0 HA ARG A 24 11.168 -12.416 -10.634 1.00 10.00 H new ATOM 0 HB2 ARG A 24 11.654 -9.489 -10.519 1.00 10.00 H new ATOM 0 HB3 ARG A 24 12.926 -10.314 -11.398 1.00 10.00 H new ATOM 0 HG2 ARG A 24 11.080 -9.684 -12.939 1.00 10.00 H new ATOM 0 HG3 ARG A 24 11.233 -11.427 -12.853 1.00 10.00 H new ATOM 0 HD2 ARG A 24 9.381 -10.174 -10.827 1.00 10.00 H new ATOM 0 HD3 ARG A 24 8.833 -10.146 -12.492 1.00 10.00 H new ATOM 0 HE ARG A 24 8.974 -12.536 -10.846 1.00 10.00 H new ATOM 0 HH11 ARG A 24 7.618 -12.120 -13.616 1.00 10.00 H new ATOM 0 HH12 ARG A 24 8.477 -13.330 -14.576 1.00 10.00 H new ATOM 0 HH21 ARG A 24 11.050 -13.715 -12.242 1.00 10.00 H new ATOM 0 HH22 ARG A 24 10.403 -14.225 -13.805 1.00 10.00 H new ATOM 386 N GLN A 25 13.880 -11.463 -9.034 1.00 10.00 N ATOM 387 CA GLN A 25 15.227 -11.964 -8.646 1.00 10.00 C ATOM 388 C GLN A 25 15.141 -12.790 -7.360 1.00 10.00 C ATOM 389 O GLN A 25 15.992 -13.613 -7.086 1.00 10.00 O ATOM 390 CB GLN A 25 16.067 -10.706 -8.416 1.00 10.00 C ATOM 391 CG GLN A 25 16.226 -9.948 -9.735 1.00 10.00 C ATOM 392 CD GLN A 25 16.794 -10.888 -10.801 1.00 10.00 C ATOM 393 OE1 GLN A 25 16.094 -11.739 -11.313 1.00 10.00 O ATOM 394 NE2 GLN A 25 18.043 -10.771 -11.159 1.00 10.00 N ATOM 0 H GLN A 25 13.638 -10.541 -8.670 1.00 10.00 H new ATOM 0 HA GLN A 25 15.658 -12.612 -9.409 1.00 10.00 H new ATOM 0 HB2 GLN A 25 15.589 -10.068 -7.673 1.00 10.00 H new ATOM 0 HB3 GLN A 25 17.046 -10.977 -8.020 1.00 10.00 H new ATOM 0 HG2 GLN A 25 15.262 -9.555 -10.059 1.00 10.00 H new ATOM 0 HG3 GLN A 25 16.889 -9.094 -9.598 1.00 10.00 H new ATOM 0 HE21 GLN A 25 18.632 -10.057 -10.730 1.00 10.00 H new ATOM 0 HE22 GLN A 25 18.431 -11.393 -11.868 1.00 10.00 H new ATOM 403 N GLN A 26 14.118 -12.580 -6.572 1.00 10.00 N ATOM 404 CA GLN A 26 13.978 -13.354 -5.305 1.00 10.00 C ATOM 405 C GLN A 26 15.359 -13.586 -4.682 1.00 10.00 C ATOM 406 O GLN A 26 15.881 -14.683 -4.717 1.00 10.00 O ATOM 407 CB GLN A 26 13.343 -14.677 -5.732 1.00 10.00 C ATOM 408 CG GLN A 26 11.818 -14.526 -5.777 1.00 10.00 C ATOM 409 CD GLN A 26 11.232 -14.614 -4.363 1.00 10.00 C ATOM 410 OE1 GLN A 26 11.922 -15.176 -3.408 1.00 10.00 O flip ATOM 411 NE2 GLN A 26 10.127 -14.169 -4.126 1.00 10.00 N flip ATOM 0 H GLN A 26 13.374 -11.906 -6.752 1.00 10.00 H new ATOM 0 HA GLN A 26 13.377 -12.838 -4.556 1.00 10.00 H new ATOM 0 HB2 GLN A 26 13.718 -14.972 -6.712 1.00 10.00 H new ATOM 0 HB3 GLN A 26 13.620 -15.467 -5.034 1.00 10.00 H new ATOM 0 HG2 GLN A 26 11.554 -13.570 -6.229 1.00 10.00 H new ATOM 0 HG3 GLN A 26 11.387 -15.305 -6.406 1.00 10.00 H new ATOM 0 HE21 GLN A 26 9.584 -13.729 -4.869 1.00 10.00 H new ATOM 0 HE22 GLN A 26 9.742 -14.235 -3.184 1.00 10.00 H new ATOM 420 N PRO A 27 15.909 -12.530 -4.145 1.00 10.00 N ATOM 421 CA PRO A 27 17.252 -12.600 -3.518 1.00 10.00 C ATOM 422 C PRO A 27 17.214 -13.428 -2.232 1.00 10.00 C ATOM 423 O PRO A 27 16.164 -13.631 -1.653 1.00 10.00 O ATOM 424 CB PRO A 27 17.583 -11.140 -3.217 1.00 10.00 C ATOM 425 CG PRO A 27 16.256 -10.463 -3.116 1.00 10.00 C ATOM 426 CD PRO A 27 15.337 -11.183 -4.065 1.00 10.00 C ATOM 0 HA PRO A 27 17.993 -13.080 -4.157 1.00 10.00 H new ATOM 0 HB2 PRO A 27 18.147 -11.045 -2.289 1.00 10.00 H new ATOM 0 HB3 PRO A 27 18.192 -10.701 -4.007 1.00 10.00 H new ATOM 0 HG2 PRO A 27 15.874 -10.508 -2.096 1.00 10.00 H new ATOM 0 HG3 PRO A 27 16.337 -9.408 -3.379 1.00 10.00 H new ATOM 0 HD2 PRO A 27 14.313 -11.204 -3.693 1.00 10.00 H new ATOM 0 HD3 PRO A 27 15.311 -10.700 -5.042 1.00 10.00 H new ATOM 434 N PRO A 28 18.371 -13.874 -1.830 1.00 10.00 N ATOM 435 CA PRO A 28 18.492 -14.689 -0.599 1.00 10.00 C ATOM 436 C PRO A 28 18.221 -13.830 0.640 1.00 10.00 C ATOM 437 O PRO A 28 18.007 -14.335 1.725 1.00 10.00 O ATOM 438 CB PRO A 28 19.943 -15.166 -0.626 1.00 10.00 C ATOM 439 CG PRO A 28 20.659 -14.156 -1.459 1.00 10.00 C ATOM 440 CD PRO A 28 19.667 -13.664 -2.479 1.00 10.00 C ATOM 0 HA PRO A 28 17.779 -15.513 -0.558 1.00 10.00 H new ATOM 0 HB2 PRO A 28 20.361 -15.218 0.379 1.00 10.00 H new ATOM 0 HB3 PRO A 28 20.024 -16.164 -1.057 1.00 10.00 H new ATOM 0 HG2 PRO A 28 21.023 -13.333 -0.844 1.00 10.00 H new ATOM 0 HG3 PRO A 28 21.528 -14.600 -1.945 1.00 10.00 H new ATOM 0 HD2 PRO A 28 19.829 -12.613 -2.721 1.00 10.00 H new ATOM 0 HD3 PRO A 28 19.743 -14.221 -3.413 1.00 10.00 H new ATOM 448 N ASP A 29 18.226 -12.535 0.484 1.00 10.00 N ATOM 449 CA ASP A 29 17.968 -11.640 1.647 1.00 10.00 C ATOM 450 C ASP A 29 17.552 -10.249 1.161 1.00 10.00 C ATOM 451 O ASP A 29 18.287 -9.579 0.465 1.00 10.00 O ATOM 452 CB ASP A 29 19.298 -11.572 2.398 1.00 10.00 C ATOM 453 CG ASP A 29 19.450 -12.813 3.280 1.00 10.00 C ATOM 454 OD1 ASP A 29 18.532 -13.096 4.032 1.00 10.00 O ATOM 455 OD2 ASP A 29 20.481 -13.458 3.189 1.00 10.00 O ATOM 0 H ASP A 29 18.398 -12.057 -0.401 1.00 10.00 H new ATOM 0 HA ASP A 29 17.162 -12.008 2.281 1.00 10.00 H new ATOM 0 HB2 ASP A 29 20.125 -11.512 1.690 1.00 10.00 H new ATOM 0 HB3 ASP A 29 19.337 -10.671 3.010 1.00 10.00 H new ATOM 460 N LEU A 30 16.376 -9.813 1.519 1.00 10.00 N ATOM 461 CA LEU A 30 15.911 -8.466 1.075 1.00 10.00 C ATOM 462 C LEU A 30 16.885 -7.384 1.547 1.00 10.00 C ATOM 463 O LEU A 30 17.477 -6.681 0.752 1.00 10.00 O ATOM 464 CB LEU A 30 14.545 -8.284 1.738 1.00 10.00 C ATOM 465 CG LEU A 30 13.829 -7.091 1.107 1.00 10.00 C ATOM 466 CD1 LEU A 30 13.181 -7.524 -0.209 1.00 10.00 C ATOM 467 CD2 LEU A 30 12.750 -6.582 2.064 1.00 10.00 C ATOM 0 H LEU A 30 15.716 -10.330 2.100 1.00 10.00 H new ATOM 0 HA LEU A 30 15.854 -8.386 -0.011 1.00 10.00 H new ATOM 0 HB2 LEU A 30 13.947 -9.187 1.617 1.00 10.00 H new ATOM 0 HB3 LEU A 30 14.667 -8.124 2.809 1.00 10.00 H new ATOM 0 HG LEU A 30 14.548 -6.295 0.913 1.00 10.00 H new ATOM 0 HD11 LEU A 30 12.670 -6.673 -0.660 1.00 10.00 H new ATOM 0 HD12 LEU A 30 13.950 -7.888 -0.890 1.00 10.00 H new ATOM 0 HD13 LEU A 30 12.461 -8.319 -0.016 1.00 10.00 H new ATOM 0 HD21 LEU A 30 12.238 -5.731 1.615 1.00 10.00 H new ATOM 0 HD22 LEU A 30 12.030 -7.378 2.257 1.00 10.00 H new ATOM 0 HD23 LEU A 30 13.212 -6.274 3.002 1.00 10.00 H new ATOM 479 N VAL A 31 17.055 -7.246 2.836 1.00 10.00 N ATOM 480 CA VAL A 31 17.991 -6.210 3.367 1.00 10.00 C ATOM 481 C VAL A 31 19.174 -6.033 2.415 1.00 10.00 C ATOM 482 O VAL A 31 19.310 -5.024 1.752 1.00 10.00 O ATOM 483 CB VAL A 31 18.477 -6.767 4.704 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.306 -5.705 5.426 1.00 10.00 C ATOM 485 CG2 VAL A 31 17.272 -7.145 5.565 1.00 10.00 C ATOM 0 H VAL A 31 16.585 -7.807 3.546 1.00 10.00 H new ATOM 0 HA VAL A 31 17.511 -5.237 3.473 1.00 10.00 H new ATOM 0 HB VAL A 31 19.091 -7.651 4.529 1.00 10.00 H new ATOM 0 HG11 VAL A 31 19.653 -6.101 6.380 1.00 10.00 H new ATOM 0 HG12 VAL A 31 20.164 -5.434 4.812 1.00 10.00 H new ATOM 0 HG13 VAL A 31 18.692 -4.822 5.602 1.00 10.00 H new ATOM 0 HG21 VAL A 31 17.617 -7.543 6.519 1.00 10.00 H new ATOM 0 HG22 VAL A 31 16.659 -6.261 5.741 1.00 10.00 H new ATOM 0 HG23 VAL A 31 16.680 -7.901 5.050 1.00 10.00 H new ATOM 495 N ASP A 32 20.028 -7.013 2.345 1.00 10.00 N ATOM 496 CA ASP A 32 21.203 -6.921 1.440 1.00 10.00 C ATOM 497 C ASP A 32 20.746 -6.586 0.019 1.00 10.00 C ATOM 498 O ASP A 32 21.340 -5.770 -0.657 1.00 10.00 O ATOM 499 CB ASP A 32 21.836 -8.308 1.496 1.00 10.00 C ATOM 500 CG ASP A 32 23.357 -8.173 1.570 1.00 10.00 C ATOM 501 OD1 ASP A 32 23.886 -7.283 0.925 1.00 10.00 O ATOM 502 OD2 ASP A 32 23.968 -8.964 2.270 1.00 10.00 O ATOM 0 H ASP A 32 19.962 -7.879 2.880 1.00 10.00 H new ATOM 0 HA ASP A 32 21.904 -6.140 1.734 1.00 10.00 H new ATOM 0 HB2 ASP A 32 21.466 -8.853 2.364 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.554 -8.884 0.614 1.00 10.00 H new ATOM 507 N PHE A 33 19.689 -7.204 -0.438 1.00 10.00 N ATOM 508 CA PHE A 33 19.197 -6.909 -1.813 1.00 10.00 C ATOM 509 C PHE A 33 18.823 -5.428 -1.925 1.00 10.00 C ATOM 510 O PHE A 33 19.088 -4.783 -2.920 1.00 10.00 O ATOM 511 CB PHE A 33 17.961 -7.790 -1.997 1.00 10.00 C ATOM 512 CG PHE A 33 17.138 -7.257 -3.143 1.00 10.00 C ATOM 513 CD1 PHE A 33 17.582 -7.425 -4.462 1.00 10.00 C ATOM 514 CD2 PHE A 33 15.938 -6.583 -2.889 1.00 10.00 C ATOM 515 CE1 PHE A 33 16.824 -6.920 -5.525 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.179 -6.080 -3.953 1.00 10.00 C ATOM 517 CZ PHE A 33 15.624 -6.249 -5.269 1.00 10.00 C ATOM 0 H PHE A 33 19.148 -7.897 0.080 1.00 10.00 H new ATOM 0 HA PHE A 33 19.951 -7.110 -2.574 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.260 -8.819 -2.196 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.368 -7.801 -1.082 1.00 10.00 H new ATOM 0 HD1 PHE A 33 18.509 -7.944 -4.658 1.00 10.00 H new ATOM 0 HD2 PHE A 33 15.597 -6.451 -1.873 1.00 10.00 H new ATOM 0 HE1 PHE A 33 17.165 -7.048 -6.542 1.00 10.00 H new ATOM 0 HE2 PHE A 33 14.251 -5.562 -3.758 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.039 -5.860 -6.089 1.00 10.00 H new ATOM 527 N ALA A 34 18.210 -4.887 -0.909 1.00 10.00 N ATOM 528 CA ALA A 34 17.819 -3.449 -0.952 1.00 10.00 C ATOM 529 C ALA A 34 19.051 -2.573 -1.186 1.00 10.00 C ATOM 530 O ALA A 34 18.998 -1.583 -1.887 1.00 10.00 O ATOM 531 CB ALA A 34 17.212 -3.162 0.422 1.00 10.00 C ATOM 0 H ALA A 34 17.963 -5.378 -0.050 1.00 10.00 H new ATOM 0 HA ALA A 34 17.119 -3.236 -1.760 1.00 10.00 H new ATOM 0 HB1 ALA A 34 16.898 -2.119 0.470 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.349 -3.809 0.581 1.00 10.00 H new ATOM 0 HB3 ALA A 34 17.956 -3.353 1.195 1.00 10.00 H new ATOM 537 N VAL A 35 20.160 -2.930 -0.600 1.00 10.00 N ATOM 538 CA VAL A 35 21.392 -2.129 -0.777 1.00 10.00 C ATOM 539 C VAL A 35 21.927 -2.285 -2.203 1.00 10.00 C ATOM 540 O VAL A 35 22.243 -1.319 -2.868 1.00 10.00 O ATOM 541 CB VAL A 35 22.357 -2.735 0.233 1.00 10.00 C ATOM 542 CG1 VAL A 35 23.776 -2.319 -0.112 1.00 10.00 C ATOM 543 CG2 VAL A 35 22.008 -2.240 1.634 1.00 10.00 C ATOM 0 H VAL A 35 20.261 -3.750 -0.002 1.00 10.00 H new ATOM 0 HA VAL A 35 21.237 -1.061 -0.625 1.00 10.00 H new ATOM 0 HB VAL A 35 22.278 -3.822 0.203 1.00 10.00 H new ATOM 0 HG11 VAL A 35 24.468 -2.752 0.610 1.00 10.00 H new ATOM 0 HG12 VAL A 35 24.026 -2.674 -1.112 1.00 10.00 H new ATOM 0 HG13 VAL A 35 23.854 -1.232 -0.082 1.00 10.00 H new ATOM 0 HG21 VAL A 35 22.699 -2.674 2.356 1.00 10.00 H new ATOM 0 HG22 VAL A 35 22.086 -1.153 1.666 1.00 10.00 H new ATOM 0 HG23 VAL A 35 20.989 -2.538 1.882 1.00 10.00 H new ATOM 553 N GLU A 36 22.031 -3.497 -2.673 1.00 10.00 N ATOM 554 CA GLU A 36 22.549 -3.725 -4.053 1.00 10.00 C ATOM 555 C GLU A 36 21.750 -2.911 -5.074 1.00 10.00 C ATOM 556 O GLU A 36 22.299 -2.132 -5.827 1.00 10.00 O ATOM 557 CB GLU A 36 22.361 -5.222 -4.302 1.00 10.00 C ATOM 558 CG GLU A 36 23.486 -6.000 -3.617 1.00 10.00 C ATOM 559 CD GLU A 36 24.334 -6.706 -4.677 1.00 10.00 C ATOM 560 OE1 GLU A 36 23.899 -7.736 -5.167 1.00 10.00 O ATOM 561 OE2 GLU A 36 25.404 -6.204 -4.982 1.00 10.00 O ATOM 0 H GLU A 36 21.779 -4.342 -2.160 1.00 10.00 H new ATOM 0 HA GLU A 36 23.590 -3.416 -4.153 1.00 10.00 H new ATOM 0 HB2 GLU A 36 21.394 -5.546 -3.918 1.00 10.00 H new ATOM 0 HB3 GLU A 36 22.363 -5.426 -5.373 1.00 10.00 H new ATOM 0 HG2 GLU A 36 24.107 -5.323 -3.031 1.00 10.00 H new ATOM 0 HG3 GLU A 36 23.068 -6.730 -2.924 1.00 10.00 H new ATOM 568 N TYR A 37 20.458 -3.092 -5.115 1.00 10.00 N ATOM 569 CA TYR A 37 19.630 -2.334 -6.097 1.00 10.00 C ATOM 570 C TYR A 37 19.817 -0.825 -5.911 1.00 10.00 C ATOM 571 O TYR A 37 20.214 -0.122 -6.819 1.00 10.00 O ATOM 572 CB TYR A 37 18.187 -2.734 -5.792 1.00 10.00 C ATOM 573 CG TYR A 37 17.242 -1.816 -6.531 1.00 10.00 C ATOM 574 CD1 TYR A 37 17.590 -1.325 -7.795 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.019 -1.455 -5.953 1.00 10.00 C ATOM 576 CE1 TYR A 37 16.715 -0.473 -8.481 1.00 10.00 C ATOM 577 CE2 TYR A 37 15.145 -0.602 -6.638 1.00 10.00 C ATOM 578 CZ TYR A 37 15.494 -0.111 -7.903 1.00 10.00 C ATOM 579 OH TYR A 37 14.634 0.729 -8.580 1.00 10.00 O ATOM 0 H TYR A 37 19.940 -3.731 -4.512 1.00 10.00 H new ATOM 0 HA TYR A 37 19.910 -2.560 -7.126 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.014 -3.768 -6.091 1.00 10.00 H new ATOM 0 HB3 TYR A 37 18.002 -2.677 -4.719 1.00 10.00 H new ATOM 0 HD1 TYR A 37 18.533 -1.603 -8.241 1.00 10.00 H new ATOM 0 HD2 TYR A 37 15.750 -1.835 -4.978 1.00 10.00 H new ATOM 0 HE1 TYR A 37 16.983 -0.095 -9.457 1.00 10.00 H new ATOM 0 HE2 TYR A 37 14.202 -0.323 -6.191 1.00 10.00 H new ATOM 0 HH TYR A 37 13.830 0.879 -8.039 1.00 10.00 H new ATOM 589 N PHE A 38 19.525 -0.322 -4.745 1.00 10.00 N ATOM 590 CA PHE A 38 19.677 1.142 -4.504 1.00 10.00 C ATOM 591 C PHE A 38 21.131 1.577 -4.718 1.00 10.00 C ATOM 592 O PHE A 38 21.409 2.487 -5.474 1.00 10.00 O ATOM 593 CB PHE A 38 19.258 1.346 -3.049 1.00 10.00 C ATOM 594 CG PHE A 38 17.752 1.283 -2.947 1.00 10.00 C ATOM 595 CD1 PHE A 38 16.960 2.011 -3.843 1.00 10.00 C ATOM 596 CD2 PHE A 38 17.148 0.497 -1.959 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.564 1.953 -3.752 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.752 0.438 -1.866 1.00 10.00 C ATOM 599 CZ PHE A 38 14.960 1.165 -2.763 1.00 10.00 C ATOM 0 H PHE A 38 19.187 -0.860 -3.947 1.00 10.00 H new ATOM 0 HA PHE A 38 19.074 1.737 -5.190 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.709 0.580 -2.418 1.00 10.00 H new ATOM 0 HB3 PHE A 38 19.618 2.309 -2.687 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.426 2.618 -4.605 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.759 -0.064 -1.268 1.00 10.00 H new ATOM 0 HE1 PHE A 38 14.953 2.515 -4.443 1.00 10.00 H new ATOM 0 HE2 PHE A 38 15.286 -0.168 -1.103 1.00 10.00 H new ATOM 0 HZ PHE A 38 13.883 1.118 -2.693 1.00 10.00 H new ATOM 609 N THR A 39 22.062 0.939 -4.060 1.00 10.00 N ATOM 610 CA THR A 39 23.494 1.328 -4.233 1.00 10.00 C ATOM 611 C THR A 39 23.863 1.351 -5.718 1.00 10.00 C ATOM 612 O THR A 39 24.614 2.193 -6.166 1.00 10.00 O ATOM 613 CB THR A 39 24.294 0.252 -3.492 1.00 10.00 C ATOM 614 OG1 THR A 39 24.071 0.375 -2.094 1.00 10.00 O ATOM 615 CG2 THR A 39 25.784 0.427 -3.790 1.00 10.00 C ATOM 0 H THR A 39 21.895 0.169 -3.413 1.00 10.00 H new ATOM 0 HA THR A 39 23.699 2.325 -3.843 1.00 10.00 H new ATOM 0 HB THR A 39 23.972 -0.734 -3.825 1.00 10.00 H new ATOM 0 HG1 THR A 39 23.359 -0.241 -1.821 1.00 10.00 H new ATOM 0 HG21 THR A 39 26.353 -0.339 -3.263 1.00 10.00 H new ATOM 0 HG22 THR A 39 25.954 0.331 -4.862 1.00 10.00 H new ATOM 0 HG23 THR A 39 26.108 1.413 -3.458 1.00 10.00 H new ATOM 623 N ARG A 40 23.339 0.436 -6.487 1.00 10.00 N ATOM 624 CA ARG A 40 23.662 0.417 -7.940 1.00 10.00 C ATOM 625 C ARG A 40 22.828 1.467 -8.678 1.00 10.00 C ATOM 626 O ARG A 40 23.311 2.150 -9.559 1.00 10.00 O ATOM 627 CB ARG A 40 23.295 -0.990 -8.414 1.00 10.00 C ATOM 628 CG ARG A 40 24.554 -1.856 -8.462 1.00 10.00 C ATOM 629 CD ARG A 40 24.444 -2.853 -9.617 1.00 10.00 C ATOM 630 NE ARG A 40 25.092 -2.175 -10.773 1.00 10.00 N ATOM 631 CZ ARG A 40 24.809 -2.547 -11.991 1.00 10.00 C ATOM 632 NH1 ARG A 40 23.585 -2.871 -12.306 1.00 10.00 N ATOM 633 NH2 ARG A 40 25.751 -2.597 -12.893 1.00 10.00 N ATOM 0 H ARG A 40 22.703 -0.297 -6.172 1.00 10.00 H new ATOM 0 HA ARG A 40 24.710 0.648 -8.132 1.00 10.00 H new ATOM 0 HB2 ARG A 40 22.562 -1.433 -7.740 1.00 10.00 H new ATOM 0 HB3 ARG A 40 22.834 -0.944 -9.401 1.00 10.00 H new ATOM 0 HG2 ARG A 40 25.435 -1.228 -8.592 1.00 10.00 H new ATOM 0 HG3 ARG A 40 24.678 -2.388 -7.519 1.00 10.00 H new ATOM 0 HD2 ARG A 40 24.945 -3.791 -9.378 1.00 10.00 H new ATOM 0 HD3 ARG A 40 23.403 -3.094 -9.833 1.00 10.00 H new ATOM 0 HE ARG A 40 25.758 -1.419 -10.613 1.00 10.00 H new ATOM 0 HH11 ARG A 40 22.850 -2.833 -11.600 1.00 10.00 H new ATOM 0 HH12 ARG A 40 23.363 -3.162 -13.258 1.00 10.00 H new ATOM 0 HH21 ARG A 40 26.708 -2.345 -12.645 1.00 10.00 H new ATOM 0 HH22 ARG A 40 25.530 -2.888 -13.845 1.00 10.00 H new ATOM 647 N LEU A 41 21.578 1.603 -8.325 1.00 10.00 N ATOM 648 CA LEU A 41 20.716 2.612 -9.006 1.00 10.00 C ATOM 649 C LEU A 41 21.439 3.960 -9.078 1.00 10.00 C ATOM 650 O LEU A 41 21.226 4.743 -9.982 1.00 10.00 O ATOM 651 CB LEU A 41 19.464 2.718 -8.136 1.00 10.00 C ATOM 652 CG LEU A 41 18.229 2.857 -9.029 1.00 10.00 C ATOM 653 CD1 LEU A 41 17.032 3.294 -8.185 1.00 10.00 C ATOM 654 CD2 LEU A 41 18.498 3.905 -10.111 1.00 10.00 C ATOM 0 H LEU A 41 21.117 1.060 -7.595 1.00 10.00 H new ATOM 0 HA LEU A 41 20.475 2.326 -10.030 1.00 10.00 H new ATOM 0 HB2 LEU A 41 19.371 1.834 -7.505 1.00 10.00 H new ATOM 0 HB3 LEU A 41 19.543 3.578 -7.471 1.00 10.00 H new ATOM 0 HG LEU A 41 18.011 1.897 -9.497 1.00 10.00 H new ATOM 0 HD11 LEU A 41 16.154 3.392 -8.823 1.00 10.00 H new ATOM 0 HD12 LEU A 41 16.839 2.548 -7.414 1.00 10.00 H new ATOM 0 HD13 LEU A 41 17.249 4.254 -7.715 1.00 10.00 H new ATOM 0 HD21 LEU A 41 17.619 4.005 -10.748 1.00 10.00 H new ATOM 0 HD22 LEU A 41 18.717 4.864 -9.642 1.00 10.00 H new ATOM 0 HD23 LEU A 41 19.350 3.594 -10.715 1.00 10.00 H new ATOM 666 N ARG A 42 22.297 4.235 -8.133 1.00 10.00 N ATOM 667 CA ARG A 42 23.034 5.531 -8.152 1.00 10.00 C ATOM 668 C ARG A 42 23.981 5.576 -9.354 1.00 10.00 C ATOM 669 O ARG A 42 24.057 6.560 -10.062 1.00 10.00 O ATOM 670 CB ARG A 42 23.827 5.556 -6.845 1.00 10.00 C ATOM 671 CG ARG A 42 22.876 5.349 -5.666 1.00 10.00 C ATOM 672 CD ARG A 42 22.883 6.596 -4.779 1.00 10.00 C ATOM 673 NE ARG A 42 23.955 6.347 -3.774 1.00 10.00 N ATOM 674 CZ ARG A 42 25.200 6.594 -4.074 1.00 10.00 C ATOM 675 NH1 ARG A 42 25.608 7.826 -4.205 1.00 10.00 N ATOM 676 NH2 ARG A 42 26.038 5.607 -4.243 1.00 10.00 N ATOM 0 H ARG A 42 22.519 3.620 -7.350 1.00 10.00 H new ATOM 0 HA ARG A 42 22.365 6.387 -8.238 1.00 10.00 H new ATOM 0 HB2 ARG A 42 24.587 4.775 -6.854 1.00 10.00 H new ATOM 0 HB3 ARG A 42 24.349 6.508 -6.742 1.00 10.00 H new ATOM 0 HG2 ARG A 42 21.867 5.154 -6.029 1.00 10.00 H new ATOM 0 HG3 ARG A 42 23.181 4.477 -5.088 1.00 10.00 H new ATOM 0 HD2 ARG A 42 23.089 7.494 -5.362 1.00 10.00 H new ATOM 0 HD3 ARG A 42 21.916 6.743 -4.297 1.00 10.00 H new ATOM 0 HE ARG A 42 23.715 5.983 -2.852 1.00 10.00 H new ATOM 0 HH11 ARG A 42 24.953 8.597 -4.073 1.00 10.00 H new ATOM 0 HH12 ARG A 42 26.582 8.019 -4.440 1.00 10.00 H new ATOM 0 HH21 ARG A 42 25.719 4.644 -4.140 1.00 10.00 H new ATOM 0 HH22 ARG A 42 27.012 5.799 -4.478 1.00 10.00 H new ATOM 690 N GLU A 43 24.702 4.514 -9.589 1.00 10.00 N ATOM 691 CA GLU A 43 25.644 4.490 -10.744 1.00 10.00 C ATOM 692 C GLU A 43 24.878 4.675 -12.055 1.00 10.00 C ATOM 693 O GLU A 43 25.400 5.188 -13.025 1.00 10.00 O ATOM 694 CB GLU A 43 26.295 3.107 -10.692 1.00 10.00 C ATOM 695 CG GLU A 43 27.806 3.260 -10.504 1.00 10.00 C ATOM 696 CD GLU A 43 28.365 4.182 -11.589 1.00 10.00 C ATOM 697 OE1 GLU A 43 28.396 5.380 -11.360 1.00 10.00 O ATOM 698 OE2 GLU A 43 28.750 3.675 -12.629 1.00 10.00 O ATOM 0 H GLU A 43 24.679 3.661 -9.030 1.00 10.00 H new ATOM 0 HA GLU A 43 26.382 5.291 -10.694 1.00 10.00 H new ATOM 0 HB2 GLU A 43 25.873 2.525 -9.872 1.00 10.00 H new ATOM 0 HB3 GLU A 43 26.086 2.560 -11.611 1.00 10.00 H new ATOM 0 HG2 GLU A 43 28.021 3.670 -9.517 1.00 10.00 H new ATOM 0 HG3 GLU A 43 28.290 2.285 -10.556 1.00 10.00 H new ATOM 705 N ALA A 44 23.643 4.259 -12.092 1.00 10.00 N ATOM 706 CA ALA A 44 22.840 4.410 -13.341 1.00 10.00 C ATOM 707 C ALA A 44 22.805 5.865 -13.781 1.00 10.00 C ATOM 708 O ALA A 44 23.372 6.243 -14.787 1.00 10.00 O ATOM 709 CB ALA A 44 21.427 3.983 -12.968 1.00 10.00 C ATOM 0 H ALA A 44 23.153 3.821 -11.312 1.00 10.00 H new ATOM 0 HA ALA A 44 23.264 3.820 -14.154 1.00 10.00 H new ATOM 0 HB1 ALA A 44 20.779 4.068 -13.840 1.00 10.00 H new ATOM 0 HB2 ALA A 44 21.438 2.949 -12.624 1.00 10.00 H new ATOM 0 HB3 ALA A 44 21.051 4.626 -12.172 1.00 10.00 H new ATOM 715 N ARG A 45 22.104 6.673 -13.036 1.00 10.00 N ATOM 716 CA ARG A 45 21.971 8.109 -13.391 1.00 10.00 C ATOM 717 C ARG A 45 23.193 8.594 -14.178 1.00 10.00 C ATOM 718 O ARG A 45 23.242 8.495 -15.389 1.00 10.00 O ATOM 719 CB ARG A 45 21.867 8.842 -12.053 1.00 10.00 C ATOM 720 CG ARG A 45 20.425 8.785 -11.547 1.00 10.00 C ATOM 721 CD ARG A 45 19.781 10.167 -11.680 1.00 10.00 C ATOM 722 NE ARG A 45 18.330 9.897 -11.876 1.00 10.00 N ATOM 723 CZ ARG A 45 17.707 10.389 -12.913 1.00 10.00 C ATOM 724 NH1 ARG A 45 18.343 10.549 -14.042 1.00 10.00 N ATOM 725 NH2 ARG A 45 16.448 10.720 -12.821 1.00 10.00 N ATOM 0 H ARG A 45 21.613 6.394 -12.187 1.00 10.00 H new ATOM 0 HA ARG A 45 21.104 8.290 -14.026 1.00 10.00 H new ATOM 0 HB2 ARG A 45 22.537 8.386 -11.324 1.00 10.00 H new ATOM 0 HB3 ARG A 45 22.181 9.879 -12.170 1.00 10.00 H new ATOM 0 HG2 ARG A 45 19.857 8.051 -12.118 1.00 10.00 H new ATOM 0 HG3 ARG A 45 20.406 8.462 -10.506 1.00 10.00 H new ATOM 0 HD2 ARG A 45 19.954 10.771 -10.789 1.00 10.00 H new ATOM 0 HD3 ARG A 45 20.198 10.717 -12.523 1.00 10.00 H new ATOM 0 HE ARG A 45 17.822 9.327 -11.200 1.00 10.00 H new ATOM 0 HH11 ARG A 45 19.327 10.290 -14.114 1.00 10.00 H new ATOM 0 HH12 ARG A 45 17.856 10.933 -14.852 1.00 10.00 H new ATOM 0 HH21 ARG A 45 15.951 10.594 -11.939 1.00 10.00 H new ATOM 0 HH22 ARG A 45 15.961 11.104 -13.631 1.00 10.00 H new ATOM 739 N ARG A 46 24.180 9.117 -13.503 1.00 10.00 N ATOM 740 CA ARG A 46 25.394 9.605 -14.218 1.00 10.00 C ATOM 741 C ARG A 46 26.184 8.419 -14.779 1.00 10.00 C ATOM 742 O ARG A 46 27.047 8.649 -15.611 1.00 10.00 O ATOM 743 CB ARG A 46 26.211 10.345 -13.156 1.00 10.00 C ATOM 744 CG ARG A 46 27.669 10.445 -13.607 1.00 10.00 C ATOM 745 CD ARG A 46 28.308 11.701 -13.008 1.00 10.00 C ATOM 746 NE ARG A 46 29.210 12.222 -14.073 1.00 10.00 N ATOM 747 CZ ARG A 46 30.013 11.410 -14.705 1.00 10.00 C ATOM 748 NH1 ARG A 46 31.194 11.148 -14.218 1.00 10.00 N ATOM 749 NH2 ARG A 46 29.632 10.858 -15.826 1.00 10.00 N ATOM 750 OXT ARG A 46 25.911 7.303 -14.369 1.00 10.00 O ATOM 0 H ARG A 46 24.199 9.227 -12.489 1.00 10.00 H new ATOM 0 HA ARG A 46 25.148 10.251 -15.061 1.00 10.00 H new ATOM 0 HB2 ARG A 46 25.800 11.342 -12.996 1.00 10.00 H new ATOM 0 HB3 ARG A 46 26.150 9.818 -12.204 1.00 10.00 H new ATOM 0 HG2 ARG A 46 28.219 9.559 -13.291 1.00 10.00 H new ATOM 0 HG3 ARG A 46 27.722 10.482 -14.695 1.00 10.00 H new ATOM 0 HD2 ARG A 46 27.551 12.437 -12.737 1.00 10.00 H new ATOM 0 HD3 ARG A 46 28.864 11.466 -12.100 1.00 10.00 H new ATOM 0 HE ARG A 46 29.200 13.214 -14.309 1.00 10.00 H new ATOM 0 HH11 ARG A 46 31.491 11.578 -13.342 1.00 10.00 H new ATOM 0 HH12 ARG A 46 31.820 10.513 -14.713 1.00 10.00 H new ATOM 0 HH21 ARG A 46 28.708 11.062 -16.207 1.00 10.00 H new ATOM 0 HH22 ARG A 46 30.259 10.223 -16.321 1.00 10.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 -3.541 -8.619 -19.616 1.00 10.00 N ATOM 766 CA HIS B 1 -3.199 -9.173 -18.274 1.00 10.00 C ATOM 767 C HIS B 1 -1.912 -9.998 -18.354 1.00 10.00 C ATOM 768 O HIS B 1 -1.392 -10.253 -19.422 1.00 10.00 O ATOM 769 CB HIS B 1 -4.383 -10.064 -17.899 1.00 10.00 C ATOM 770 CG HIS B 1 -5.593 -9.209 -17.642 1.00 10.00 C ATOM 771 ND1 HIS B 1 -6.742 -9.303 -18.412 1.00 10.00 N ATOM 772 CD2 HIS B 1 -5.848 -8.239 -16.705 1.00 10.00 C ATOM 773 CE1 HIS B 1 -7.628 -8.414 -17.929 1.00 10.00 C ATOM 774 NE2 HIS B 1 -7.134 -7.737 -16.889 1.00 10.00 N ATOM 0 H1 HIS B 1 -3.695 -7.593 -19.539 1.00 10.00 H new ATOM 0 H2 HIS B 1 -2.760 -8.803 -20.277 1.00 10.00 H new ATOM 0 H3 HIS B 1 -4.407 -9.074 -19.969 1.00 10.00 H new ATOM 0 HA HIS B 1 -3.029 -8.389 -17.536 1.00 10.00 H new ATOM 0 HB2 HIS B 1 -4.588 -10.771 -18.703 1.00 10.00 H new ATOM 0 HB3 HIS B 1 -4.144 -10.650 -17.012 1.00 10.00 H new ATOM 0 HD2 HIS B 1 -5.157 -7.914 -15.941 1.00 10.00 H new ATOM 0 HE1 HIS B 1 -8.619 -8.266 -18.333 1.00 10.00 H new ATOM 0 HE2 HIS B 1 -7.599 -7.009 -16.346 1.00 10.00 H new ATOM 784 N MET B 2 -1.394 -10.416 -17.231 1.00 10.00 N ATOM 785 CA MET B 2 -0.140 -11.224 -17.240 1.00 10.00 C ATOM 786 C MET B 2 -0.389 -12.588 -16.586 1.00 10.00 C ATOM 787 O MET B 2 -0.040 -13.619 -17.127 1.00 10.00 O ATOM 788 CB MET B 2 0.862 -10.399 -16.424 1.00 10.00 C ATOM 789 CG MET B 2 1.819 -11.331 -15.674 1.00 10.00 C ATOM 790 SD MET B 2 2.661 -12.411 -16.858 1.00 10.00 S ATOM 791 CE MET B 2 3.852 -13.131 -15.701 1.00 10.00 C ATOM 0 H MET B 2 -1.785 -10.233 -16.307 1.00 10.00 H new ATOM 0 HA MET B 2 0.225 -11.422 -18.248 1.00 10.00 H new ATOM 0 HB2 MET B 2 1.426 -9.740 -17.084 1.00 10.00 H new ATOM 0 HB3 MET B 2 0.331 -9.763 -15.716 1.00 10.00 H new ATOM 0 HG2 MET B 2 2.550 -10.746 -15.115 1.00 10.00 H new ATOM 0 HG3 MET B 2 1.267 -11.929 -14.949 1.00 10.00 H new ATOM 0 HE1 MET B 2 4.488 -13.842 -16.229 1.00 10.00 H new ATOM 0 HE2 MET B 2 4.469 -12.340 -15.274 1.00 10.00 H new ATOM 0 HE3 MET B 2 3.318 -13.645 -14.902 1.00 10.00 H new ATOM 801 N GLY B 3 -0.989 -12.602 -15.428 1.00 10.00 N ATOM 802 CA GLY B 3 -1.258 -13.898 -14.744 1.00 10.00 C ATOM 803 C GLY B 3 -1.518 -13.643 -13.258 1.00 10.00 C ATOM 804 O GLY B 3 -2.332 -12.819 -12.894 1.00 10.00 O ATOM 0 H GLY B 3 -1.305 -11.772 -14.926 1.00 10.00 H new ATOM 0 HA2 GLY B 3 -2.120 -14.389 -15.196 1.00 10.00 H new ATOM 0 HA3 GLY B 3 -0.408 -14.570 -14.866 1.00 10.00 H new ATOM 808 N HIS B 4 -0.831 -14.343 -12.396 1.00 10.00 N ATOM 809 CA HIS B 4 -1.042 -14.133 -10.936 1.00 10.00 C ATOM 810 C HIS B 4 0.203 -13.495 -10.309 1.00 10.00 C ATOM 811 O HIS B 4 1.196 -13.269 -10.971 1.00 10.00 O ATOM 812 CB HIS B 4 -1.291 -15.536 -10.367 1.00 10.00 C ATOM 813 CG HIS B 4 -0.004 -16.113 -9.842 1.00 10.00 C ATOM 814 ND1 HIS B 4 0.215 -16.318 -8.488 1.00 10.00 N ATOM 815 CD2 HIS B 4 1.141 -16.531 -10.474 1.00 10.00 C ATOM 816 CE1 HIS B 4 1.448 -16.836 -8.350 1.00 10.00 C ATOM 817 NE2 HIS B 4 2.058 -16.987 -9.530 1.00 10.00 N ATOM 0 H HIS B 4 -0.135 -15.048 -12.639 1.00 10.00 H new ATOM 0 HA HIS B 4 -1.874 -13.461 -10.726 1.00 10.00 H new ATOM 0 HB2 HIS B 4 -2.030 -15.488 -9.568 1.00 10.00 H new ATOM 0 HB3 HIS B 4 -1.701 -16.184 -11.141 1.00 10.00 H new ATOM 0 HD2 HIS B 4 1.306 -16.509 -11.541 1.00 10.00 H new ATOM 0 HE1 HIS B 4 1.892 -17.098 -7.401 1.00 10.00 H new ATOM 0 HE2 HIS B 4 2.993 -17.356 -9.702 1.00 10.00 H new ATOM 825 N ILE B 5 0.157 -13.202 -9.038 1.00 10.00 N ATOM 826 CA ILE B 5 1.338 -12.580 -8.375 1.00 10.00 C ATOM 827 C ILE B 5 1.565 -13.210 -6.996 1.00 10.00 C ATOM 828 O ILE B 5 0.999 -14.235 -6.672 1.00 10.00 O ATOM 829 CB ILE B 5 0.982 -11.094 -8.250 1.00 10.00 C ATOM 830 CG1 ILE B 5 2.260 -10.257 -8.336 1.00 10.00 C ATOM 831 CG2 ILE B 5 0.291 -10.832 -6.910 1.00 10.00 C ATOM 832 CD1 ILE B 5 2.479 -9.806 -9.781 1.00 10.00 C ATOM 0 H ILE B 5 -0.646 -13.366 -8.431 1.00 10.00 H new ATOM 0 HA ILE B 5 2.259 -12.728 -8.939 1.00 10.00 H new ATOM 0 HB ILE B 5 0.306 -10.819 -9.060 1.00 10.00 H new ATOM 0 HG12 ILE B 5 2.184 -9.389 -7.681 1.00 10.00 H new ATOM 0 HG13 ILE B 5 3.114 -10.841 -7.993 1.00 10.00 H new ATOM 0 HG21 ILE B 5 0.042 -9.774 -6.830 1.00 10.00 H new ATOM 0 HG22 ILE B 5 -0.621 -11.425 -6.849 1.00 10.00 H new ATOM 0 HG23 ILE B 5 0.960 -11.110 -6.095 1.00 10.00 H new ATOM 0 HD11 ILE B 5 3.389 -9.210 -9.842 1.00 10.00 H new ATOM 0 HD12 ILE B 5 2.574 -10.681 -10.425 1.00 10.00 H new ATOM 0 HD13 ILE B 5 1.630 -9.206 -10.108 1.00 10.00 H new ATOM 844 N GLN B 6 2.389 -12.608 -6.185 1.00 10.00 N ATOM 845 CA GLN B 6 2.651 -13.174 -4.831 1.00 10.00 C ATOM 846 C GLN B 6 3.323 -12.125 -3.941 1.00 10.00 C ATOM 847 O GLN B 6 4.000 -11.235 -4.416 1.00 10.00 O ATOM 848 CB GLN B 6 3.591 -14.356 -5.073 1.00 10.00 C ATOM 849 CG GLN B 6 3.177 -15.529 -4.182 1.00 10.00 C ATOM 850 CD GLN B 6 3.202 -16.823 -4.996 1.00 10.00 C ATOM 851 OE1 GLN B 6 2.350 -17.674 -4.831 1.00 10.00 O ATOM 852 NE2 GLN B 6 4.148 -17.009 -5.876 1.00 10.00 N ATOM 0 H GLN B 6 2.893 -11.748 -6.401 1.00 10.00 H new ATOM 0 HA GLN B 6 1.735 -13.479 -4.325 1.00 10.00 H new ATOM 0 HB2 GLN B 6 3.557 -14.652 -6.121 1.00 10.00 H new ATOM 0 HB3 GLN B 6 4.619 -14.067 -4.857 1.00 10.00 H new ATOM 0 HG2 GLN B 6 3.853 -15.609 -3.331 1.00 10.00 H new ATOM 0 HG3 GLN B 6 2.178 -15.359 -3.780 1.00 10.00 H new ATOM 0 HE21 GLN B 6 4.863 -16.295 -6.015 1.00 10.00 H new ATOM 0 HE22 GLN B 6 4.172 -17.868 -6.425 1.00 10.00 H new ATOM 861 N ILE B 7 3.142 -12.224 -2.652 1.00 10.00 N ATOM 862 CA ILE B 7 3.770 -11.232 -1.733 1.00 10.00 C ATOM 863 C ILE B 7 4.110 -11.894 -0.394 1.00 10.00 C ATOM 864 O ILE B 7 3.231 -12.318 0.329 1.00 10.00 O ATOM 865 CB ILE B 7 2.713 -10.143 -1.547 1.00 10.00 C ATOM 866 CG1 ILE B 7 2.793 -9.153 -2.711 1.00 10.00 C ATOM 867 CG2 ILE B 7 2.962 -9.399 -0.232 1.00 10.00 C ATOM 868 CD1 ILE B 7 4.129 -8.410 -2.657 1.00 10.00 C ATOM 0 H ILE B 7 2.587 -12.948 -2.196 1.00 10.00 H new ATOM 0 HA ILE B 7 4.702 -10.829 -2.130 1.00 10.00 H new ATOM 0 HB ILE B 7 1.725 -10.602 -1.521 1.00 10.00 H new ATOM 0 HG12 ILE B 7 2.697 -9.682 -3.659 1.00 10.00 H new ATOM 0 HG13 ILE B 7 1.967 -8.443 -2.656 1.00 10.00 H new ATOM 0 HG21 ILE B 7 2.206 -8.624 -0.104 1.00 10.00 H new ATOM 0 HG22 ILE B 7 2.906 -10.101 0.600 1.00 10.00 H new ATOM 0 HG23 ILE B 7 3.951 -8.941 -0.255 1.00 10.00 H new ATOM 0 HD11 ILE B 7 4.187 -7.705 -3.486 1.00 10.00 H new ATOM 0 HD12 ILE B 7 4.207 -7.869 -1.714 1.00 10.00 H new ATOM 0 HD13 ILE B 7 4.947 -9.126 -2.733 1.00 10.00 H new ATOM 880 N PRO B 8 5.384 -11.959 -0.111 1.00 10.00 N ATOM 881 CA PRO B 8 5.855 -12.573 1.153 1.00 10.00 C ATOM 882 C PRO B 8 5.515 -11.680 2.350 1.00 10.00 C ATOM 883 O PRO B 8 5.520 -10.469 2.243 1.00 10.00 O ATOM 884 CB PRO B 8 7.361 -12.678 0.965 1.00 10.00 C ATOM 885 CG PRO B 8 7.691 -11.622 -0.031 1.00 10.00 C ATOM 886 CD PRO B 8 6.494 -11.473 -0.932 1.00 10.00 C ATOM 0 HA PRO B 8 5.388 -13.537 1.355 1.00 10.00 H new ATOM 0 HB2 PRO B 8 7.890 -12.516 1.904 1.00 10.00 H new ATOM 0 HB3 PRO B 8 7.647 -13.666 0.605 1.00 10.00 H new ATOM 0 HG2 PRO B 8 7.917 -10.680 0.468 1.00 10.00 H new ATOM 0 HG3 PRO B 8 8.574 -11.898 -0.607 1.00 10.00 H new ATOM 0 HD2 PRO B 8 6.346 -10.436 -1.234 1.00 10.00 H new ATOM 0 HD3 PRO B 8 6.604 -12.058 -1.845 1.00 10.00 H new ATOM 894 N PRO B 9 5.228 -12.313 3.454 1.00 10.00 N ATOM 895 CA PRO B 9 4.879 -11.573 4.690 1.00 10.00 C ATOM 896 C PRO B 9 6.131 -10.942 5.306 1.00 10.00 C ATOM 897 O PRO B 9 7.240 -11.382 5.073 1.00 10.00 O ATOM 898 CB PRO B 9 4.311 -12.652 5.605 1.00 10.00 C ATOM 899 CG PRO B 9 4.917 -13.932 5.124 1.00 10.00 C ATOM 900 CD PRO B 9 5.200 -13.767 3.652 1.00 10.00 C ATOM 0 HA PRO B 9 4.179 -10.755 4.517 1.00 10.00 H new ATOM 0 HB2 PRO B 9 4.569 -12.461 6.647 1.00 10.00 H new ATOM 0 HB3 PRO B 9 3.223 -12.685 5.547 1.00 10.00 H new ATOM 0 HG2 PRO B 9 5.835 -14.152 5.670 1.00 10.00 H new ATOM 0 HG3 PRO B 9 4.237 -14.767 5.294 1.00 10.00 H new ATOM 0 HD2 PRO B 9 6.149 -14.225 3.375 1.00 10.00 H new ATOM 0 HD3 PRO B 9 4.429 -14.238 3.042 1.00 10.00 H new ATOM 908 N GLY B 10 5.963 -9.914 6.092 1.00 10.00 N ATOM 909 CA GLY B 10 7.144 -9.258 6.723 1.00 10.00 C ATOM 910 C GLY B 10 7.662 -8.146 5.809 1.00 10.00 C ATOM 911 O GLY B 10 8.220 -7.166 6.263 1.00 10.00 O ATOM 0 H GLY B 10 5.060 -9.500 6.325 1.00 10.00 H new ATOM 0 HA2 GLY B 10 6.868 -8.846 7.694 1.00 10.00 H new ATOM 0 HA3 GLY B 10 7.929 -9.993 6.900 1.00 10.00 H new ATOM 915 N LEU B 11 7.481 -8.287 4.524 1.00 10.00 N ATOM 916 CA LEU B 11 7.964 -7.235 3.583 1.00 10.00 C ATOM 917 C LEU B 11 7.334 -5.884 3.931 1.00 10.00 C ATOM 918 O LEU B 11 8.021 -4.900 4.123 1.00 10.00 O ATOM 919 CB LEU B 11 7.507 -7.699 2.200 1.00 10.00 C ATOM 920 CG LEU B 11 7.853 -6.629 1.163 1.00 10.00 C ATOM 921 CD1 LEU B 11 9.369 -6.428 1.126 1.00 10.00 C ATOM 922 CD2 LEU B 11 7.366 -7.079 -0.215 1.00 10.00 C ATOM 0 H LEU B 11 7.020 -9.084 4.085 1.00 10.00 H new ATOM 0 HA LEU B 11 9.045 -7.103 3.632 1.00 10.00 H new ATOM 0 HB2 LEU B 11 7.992 -8.641 1.942 1.00 10.00 H new ATOM 0 HB3 LEU B 11 6.433 -7.884 2.203 1.00 10.00 H new ATOM 0 HG LEU B 11 7.367 -5.691 1.432 1.00 10.00 H new ATOM 0 HD11 LEU B 11 9.617 -5.666 0.387 1.00 10.00 H new ATOM 0 HD12 LEU B 11 9.718 -6.109 2.108 1.00 10.00 H new ATOM 0 HD13 LEU B 11 9.854 -7.366 0.856 1.00 10.00 H new ATOM 0 HD21 LEU B 11 7.612 -6.317 -0.955 1.00 10.00 H new ATOM 0 HD22 LEU B 11 7.852 -8.017 -0.484 1.00 10.00 H new ATOM 0 HD23 LEU B 11 6.286 -7.224 -0.190 1.00 10.00 H new ATOM 934 N THR B 12 6.033 -5.828 4.012 1.00 10.00 N ATOM 935 CA THR B 12 5.365 -4.538 4.346 1.00 10.00 C ATOM 936 C THR B 12 5.983 -3.936 5.612 1.00 10.00 C ATOM 937 O THR B 12 6.072 -2.734 5.761 1.00 10.00 O ATOM 938 CB THR B 12 3.890 -4.903 4.569 1.00 10.00 C ATOM 939 OG1 THR B 12 3.071 -4.030 3.805 1.00 10.00 O ATOM 940 CG2 THR B 12 3.529 -4.772 6.052 1.00 10.00 C ATOM 0 H THR B 12 5.405 -6.617 3.862 1.00 10.00 H new ATOM 0 HA THR B 12 5.479 -3.791 3.560 1.00 10.00 H new ATOM 0 HB THR B 12 3.727 -5.934 4.256 1.00 10.00 H new ATOM 0 HG1 THR B 12 2.129 -4.261 3.943 1.00 10.00 H new ATOM 0 HG21 THR B 12 2.481 -5.034 6.196 1.00 10.00 H new ATOM 0 HG22 THR B 12 4.155 -5.444 6.639 1.00 10.00 H new ATOM 0 HG23 THR B 12 3.695 -3.745 6.377 1.00 10.00 H new ATOM 948 N GLU B 13 6.412 -4.764 6.521 1.00 10.00 N ATOM 949 CA GLU B 13 7.026 -4.245 7.776 1.00 10.00 C ATOM 950 C GLU B 13 8.287 -3.440 7.452 1.00 10.00 C ATOM 951 O GLU B 13 8.419 -2.294 7.830 1.00 10.00 O ATOM 952 CB GLU B 13 7.378 -5.490 8.591 1.00 10.00 C ATOM 953 CG GLU B 13 6.828 -5.346 10.012 1.00 10.00 C ATOM 954 CD GLU B 13 7.363 -4.057 10.639 1.00 10.00 C ATOM 955 OE1 GLU B 13 8.539 -3.782 10.466 1.00 10.00 O ATOM 956 OE2 GLU B 13 6.587 -3.368 11.280 1.00 10.00 O ATOM 0 H GLU B 13 6.364 -5.780 6.450 1.00 10.00 H new ATOM 0 HA GLU B 13 6.355 -3.580 8.320 1.00 10.00 H new ATOM 0 HB2 GLU B 13 6.960 -6.378 8.117 1.00 10.00 H new ATOM 0 HB3 GLU B 13 8.459 -5.624 8.621 1.00 10.00 H new ATOM 0 HG2 GLU B 13 5.738 -5.328 9.991 1.00 10.00 H new ATOM 0 HG3 GLU B 13 7.121 -6.205 10.615 1.00 10.00 H new ATOM 963 N LEU B 14 9.215 -4.034 6.752 1.00 10.00 N ATOM 964 CA LEU B 14 10.467 -3.302 6.403 1.00 10.00 C ATOM 965 C LEU B 14 10.129 -1.987 5.697 1.00 10.00 C ATOM 966 O LEU B 14 10.494 -0.919 6.145 1.00 10.00 O ATOM 967 CB LEU B 14 11.224 -4.237 5.459 1.00 10.00 C ATOM 968 CG LEU B 14 12.261 -5.032 6.253 1.00 10.00 C ATOM 969 CD1 LEU B 14 12.971 -6.017 5.323 1.00 10.00 C ATOM 970 CD2 LEU B 14 13.288 -4.070 6.855 1.00 10.00 C ATOM 0 H LEU B 14 9.161 -4.992 6.407 1.00 10.00 H new ATOM 0 HA LEU B 14 11.057 -3.049 7.284 1.00 10.00 H new ATOM 0 HB2 LEU B 14 10.528 -4.916 4.967 1.00 10.00 H new ATOM 0 HB3 LEU B 14 11.714 -3.660 4.675 1.00 10.00 H new ATOM 0 HG LEU B 14 11.763 -5.581 7.052 1.00 10.00 H new ATOM 0 HD11 LEU B 14 13.710 -6.584 5.889 1.00 10.00 H new ATOM 0 HD12 LEU B 14 12.241 -6.702 4.893 1.00 10.00 H new ATOM 0 HD13 LEU B 14 13.469 -5.468 4.524 1.00 10.00 H new ATOM 0 HD21 LEU B 14 14.028 -4.635 7.421 1.00 10.00 H new ATOM 0 HD22 LEU B 14 13.785 -3.521 6.055 1.00 10.00 H new ATOM 0 HD23 LEU B 14 12.783 -3.367 7.518 1.00 10.00 H new ATOM 982 N LEU B 15 9.433 -2.057 4.594 1.00 10.00 N ATOM 983 CA LEU B 15 9.073 -0.811 3.859 1.00 10.00 C ATOM 984 C LEU B 15 8.423 0.196 4.812 1.00 10.00 C ATOM 985 O LEU B 15 8.814 1.345 4.874 1.00 10.00 O ATOM 986 CB LEU B 15 8.081 -1.256 2.786 1.00 10.00 C ATOM 987 CG LEU B 15 8.739 -2.300 1.882 1.00 10.00 C ATOM 988 CD1 LEU B 15 7.882 -2.508 0.633 1.00 10.00 C ATOM 989 CD2 LEU B 15 10.129 -1.809 1.468 1.00 10.00 C ATOM 0 H LEU B 15 9.099 -2.923 4.171 1.00 10.00 H new ATOM 0 HA LEU B 15 9.945 -0.319 3.427 1.00 10.00 H new ATOM 0 HB2 LEU B 15 7.189 -1.674 3.252 1.00 10.00 H new ATOM 0 HB3 LEU B 15 7.760 -0.398 2.195 1.00 10.00 H new ATOM 0 HG LEU B 15 8.829 -3.243 2.422 1.00 10.00 H new ATOM 0 HD11 LEU B 15 8.351 -3.252 -0.011 1.00 10.00 H new ATOM 0 HD12 LEU B 15 6.891 -2.855 0.925 1.00 10.00 H new ATOM 0 HD13 LEU B 15 7.792 -1.566 0.093 1.00 10.00 H new ATOM 0 HD21 LEU B 15 10.600 -2.551 0.824 1.00 10.00 H new ATOM 0 HD22 LEU B 15 10.036 -0.867 0.928 1.00 10.00 H new ATOM 0 HD23 LEU B 15 10.742 -1.659 2.357 1.00 10.00 H new ATOM 1001 N GLN B 16 7.436 -0.224 5.556 1.00 10.00 N ATOM 1002 CA GLN B 16 6.768 0.714 6.504 1.00 10.00 C ATOM 1003 C GLN B 16 7.818 1.571 7.212 1.00 10.00 C ATOM 1004 O GLN B 16 7.796 2.783 7.140 1.00 10.00 O ATOM 1005 CB GLN B 16 6.041 -0.180 7.508 1.00 10.00 C ATOM 1006 CG GLN B 16 4.603 0.312 7.682 1.00 10.00 C ATOM 1007 CD GLN B 16 3.932 -0.466 8.815 1.00 10.00 C ATOM 1008 OE1 GLN B 16 3.564 -1.611 8.646 1.00 10.00 O ATOM 1009 NE2 GLN B 16 3.756 0.112 9.971 1.00 10.00 N ATOM 0 H GLN B 16 7.064 -1.174 5.549 1.00 10.00 H new ATOM 0 HA GLN B 16 6.082 1.394 6.000 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.044 -1.213 7.160 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.560 -0.165 8.466 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.597 1.379 7.906 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.046 0.177 6.755 1.00 10.00 H new ATOM 0 HE21 GLN B 16 4.065 1.074 10.113 1.00 10.00 H new ATOM 0 HE22 GLN B 16 3.309 -0.398 10.733 1.00 10.00 H new ATOM 1018 N GLY B 17 8.742 0.949 7.892 1.00 10.00 N ATOM 1019 CA GLY B 17 9.795 1.731 8.596 1.00 10.00 C ATOM 1020 C GLY B 17 10.305 2.827 7.662 1.00 10.00 C ATOM 1021 O GLY B 17 10.382 3.983 8.028 1.00 10.00 O ATOM 0 H GLY B 17 8.813 -0.064 7.990 1.00 10.00 H new ATOM 0 HA2 GLY B 17 9.392 2.171 9.508 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.615 1.077 8.893 1.00 10.00 H new ATOM 1025 N TYR B 18 10.651 2.471 6.454 1.00 10.00 N ATOM 1026 CA TYR B 18 11.150 3.490 5.489 1.00 10.00 C ATOM 1027 C TYR B 18 10.323 4.771 5.601 1.00 10.00 C ATOM 1028 O TYR B 18 10.825 5.819 5.958 1.00 10.00 O ATOM 1029 CB TYR B 18 10.968 2.854 4.113 1.00 10.00 C ATOM 1030 CG TYR B 18 12.133 3.232 3.234 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.441 3.099 3.716 1.00 10.00 C ATOM 1032 CD2 TYR B 18 11.910 3.720 1.942 1.00 10.00 C ATOM 1033 CE1 TYR B 18 14.525 3.454 2.905 1.00 10.00 C ATOM 1034 CE2 TYR B 18 12.993 4.076 1.131 1.00 10.00 C ATOM 1035 CZ TYR B 18 14.301 3.943 1.613 1.00 10.00 C ATOM 1036 OH TYR B 18 15.368 4.295 0.815 1.00 10.00 O ATOM 0 H TYR B 18 10.609 1.517 6.094 1.00 10.00 H new ATOM 0 HA TYR B 18 12.188 3.764 5.677 1.00 10.00 H new ATOM 0 HB2 TYR B 18 10.904 1.770 4.206 1.00 10.00 H new ATOM 0 HB3 TYR B 18 10.034 3.191 3.664 1.00 10.00 H new ATOM 0 HD1 TYR B 18 13.613 2.723 4.713 1.00 10.00 H new ATOM 0 HD2 TYR B 18 10.901 3.822 1.570 1.00 10.00 H new ATOM 0 HE1 TYR B 18 15.534 3.351 3.276 1.00 10.00 H new ATOM 0 HE2 TYR B 18 12.820 4.453 0.134 1.00 10.00 H new ATOM 0 HH TYR B 18 15.894 4.992 1.260 1.00 10.00 H new ATOM 1046 N THR B 19 9.056 4.695 5.300 1.00 10.00 N ATOM 1047 CA THR B 19 8.196 5.909 5.393 1.00 10.00 C ATOM 1048 C THR B 19 8.421 6.598 6.743 1.00 10.00 C ATOM 1049 O THR B 19 8.397 7.809 6.845 1.00 10.00 O ATOM 1050 CB THR B 19 6.759 5.385 5.265 1.00 10.00 C ATOM 1051 OG1 THR B 19 6.191 5.868 4.057 1.00 10.00 O ATOM 1052 CG2 THR B 19 5.915 5.858 6.452 1.00 10.00 C ATOM 0 H THR B 19 8.579 3.847 4.994 1.00 10.00 H new ATOM 0 HA THR B 19 8.418 6.648 4.623 1.00 10.00 H new ATOM 0 HB THR B 19 6.776 4.295 5.257 1.00 10.00 H new ATOM 0 HG1 THR B 19 5.274 5.534 3.970 1.00 10.00 H new ATOM 0 HG21 THR B 19 4.898 5.480 6.349 1.00 10.00 H new ATOM 0 HG22 THR B 19 6.349 5.484 7.379 1.00 10.00 H new ATOM 0 HG23 THR B 19 5.896 6.948 6.474 1.00 10.00 H new ATOM 1060 N VAL B 20 8.644 5.833 7.775 1.00 10.00 N ATOM 1061 CA VAL B 20 8.875 6.440 9.116 1.00 10.00 C ATOM 1062 C VAL B 20 10.261 7.085 9.170 1.00 10.00 C ATOM 1063 O VAL B 20 10.500 8.002 9.928 1.00 10.00 O ATOM 1064 CB VAL B 20 8.788 5.273 10.100 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.798 5.811 11.531 1.00 10.00 C ATOM 1066 CG2 VAL B 20 7.492 4.495 9.857 1.00 10.00 C ATOM 0 H VAL B 20 8.676 4.814 7.748 1.00 10.00 H new ATOM 0 HA VAL B 20 8.151 7.221 9.347 1.00 10.00 H new ATOM 0 HB VAL B 20 9.642 4.611 9.954 1.00 10.00 H new ATOM 0 HG11 VAL B 20 8.736 4.979 12.233 1.00 10.00 H new ATOM 0 HG12 VAL B 20 9.721 6.365 11.705 1.00 10.00 H new ATOM 0 HG13 VAL B 20 7.945 6.473 11.677 1.00 10.00 H new ATOM 0 HG21 VAL B 20 7.430 3.663 10.559 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.638 5.156 10.002 1.00 10.00 H new ATOM 0 HG23 VAL B 20 7.484 4.111 8.837 1.00 10.00 H new ATOM 1076 N GLU B 21 11.176 6.613 8.368 1.00 10.00 N ATOM 1077 CA GLU B 21 12.547 7.205 8.374 1.00 10.00 C ATOM 1078 C GLU B 21 12.625 8.339 7.356 1.00 10.00 C ATOM 1079 O GLU B 21 12.953 9.463 7.678 1.00 10.00 O ATOM 1080 CB GLU B 21 13.496 6.077 7.959 1.00 10.00 C ATOM 1081 CG GLU B 21 12.829 4.726 8.183 1.00 10.00 C ATOM 1082 CD GLU B 21 13.895 3.668 8.476 1.00 10.00 C ATOM 1083 OE1 GLU B 21 14.878 4.008 9.112 1.00 10.00 O ATOM 1084 OE2 GLU B 21 13.709 2.536 8.060 1.00 10.00 O ATOM 0 H GLU B 21 11.036 5.846 7.711 1.00 10.00 H new ATOM 0 HA GLU B 21 12.804 7.610 9.353 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.769 6.188 6.909 1.00 10.00 H new ATOM 0 HB3 GLU B 21 14.419 6.136 8.536 1.00 10.00 H new ATOM 0 HG2 GLU B 21 12.127 4.789 9.015 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.254 4.443 7.301 1.00 10.00 H new ATOM 1091 N VAL B 22 12.324 8.042 6.123 1.00 10.00 N ATOM 1092 CA VAL B 22 12.377 9.087 5.065 1.00 10.00 C ATOM 1093 C VAL B 22 11.624 10.337 5.526 1.00 10.00 C ATOM 1094 O VAL B 22 11.925 11.441 5.119 1.00 10.00 O ATOM 1095 CB VAL B 22 11.689 8.461 3.851 1.00 10.00 C ATOM 1096 CG1 VAL B 22 12.052 9.255 2.601 1.00 10.00 C ATOM 1097 CG2 VAL B 22 12.160 7.014 3.677 1.00 10.00 C ATOM 0 H VAL B 22 12.042 7.116 5.802 1.00 10.00 H new ATOM 0 HA VAL B 22 13.397 9.395 4.837 1.00 10.00 H new ATOM 0 HB VAL B 22 10.610 8.477 4.002 1.00 10.00 H new ATOM 0 HG11 VAL B 22 11.563 8.811 1.734 1.00 10.00 H new ATOM 0 HG12 VAL B 22 11.720 10.287 2.716 1.00 10.00 H new ATOM 0 HG13 VAL B 22 13.132 9.235 2.458 1.00 10.00 H new ATOM 0 HG21 VAL B 22 11.667 6.573 2.811 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.240 6.998 3.527 1.00 10.00 H new ATOM 0 HG23 VAL B 22 11.909 6.440 4.569 1.00 10.00 H new ATOM 1107 N LEU B 23B 10.649 10.171 6.377 1.00 10.00 N ATOM 1108 CA LEU B 23B 9.880 11.350 6.868 1.00 10.00 C ATOM 1109 C LEU B 23B 10.560 11.940 8.107 1.00 10.00 C ATOM 1110 O LEU B 23B 10.579 13.139 8.303 1.00 10.00 O ATOM 1111 CB LEU B 23B 8.497 10.802 7.217 1.00 10.00 C ATOM 1112 CG LEU B 23B 7.774 10.392 5.932 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 6.423 9.766 6.281 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 7.552 11.628 5.058 1.00 10.00 C ATOM 0 H LEU B 23B 10.352 9.271 6.753 1.00 10.00 H new ATOM 0 HA LEU B 23B 9.823 12.148 6.128 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 8.591 9.945 7.884 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 7.918 11.557 7.748 1.00 10.00 H new ATOM 0 HG LEU B 23B 8.380 9.666 5.391 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 5.909 9.475 5.365 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 6.580 8.886 6.905 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 5.815 10.491 6.823 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 7.037 11.338 4.142 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 6.946 12.353 5.601 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 8.514 12.074 4.808 1.00 10.00 H new ATOM 1126 N ARG B 24 11.123 11.107 8.941 1.00 10.00 N ATOM 1127 CA ARG B 24 11.806 11.626 10.163 1.00 10.00 C ATOM 1128 C ARG B 24 13.178 12.195 9.796 1.00 10.00 C ATOM 1129 O ARG B 24 13.535 13.287 10.191 1.00 10.00 O ATOM 1130 CB ARG B 24 11.962 10.411 11.078 1.00 10.00 C ATOM 1131 CG ARG B 24 11.034 10.557 12.286 1.00 10.00 C ATOM 1132 CD ARG B 24 9.584 10.658 11.807 1.00 10.00 C ATOM 1133 NE ARG B 24 9.308 12.120 11.732 1.00 10.00 N ATOM 1134 CZ ARG B 24 9.411 12.858 12.803 1.00 10.00 C ATOM 1135 NH1 ARG B 24 8.504 12.782 13.738 1.00 10.00 N ATOM 1136 NH2 ARG B 24 10.421 13.673 12.939 1.00 10.00 N ATOM 0 H ARG B 24 11.140 10.093 8.830 1.00 10.00 H new ATOM 0 HA ARG B 24 11.243 12.427 10.641 1.00 10.00 H new ATOM 0 HB2 ARG B 24 11.724 9.498 10.532 1.00 10.00 H new ATOM 0 HB3 ARG B 24 12.997 10.323 11.410 1.00 10.00 H new ATOM 0 HG2 ARG B 24 11.149 9.702 12.952 1.00 10.00 H new ATOM 0 HG3 ARG B 24 11.302 11.445 12.858 1.00 10.00 H new ATOM 0 HD2 ARG B 24 9.454 10.181 10.836 1.00 10.00 H new ATOM 0 HD3 ARG B 24 8.903 10.162 12.499 1.00 10.00 H new ATOM 0 HE ARG B 24 9.039 12.544 10.844 1.00 10.00 H new ATOM 0 HH11 ARG B 24 7.714 12.145 13.632 1.00 10.00 H new ATOM 0 HH12 ARG B 24 8.585 13.359 14.575 1.00 10.00 H new ATOM 0 HH21 ARG B 24 11.130 13.733 12.208 1.00 10.00 H new ATOM 0 HH22 ARG B 24 10.502 14.250 13.776 1.00 10.00 H new ATOM 1150 N GLN B 25 13.952 11.461 9.043 1.00 10.00 N ATOM 1151 CA GLN B 25 15.302 11.956 8.654 1.00 10.00 C ATOM 1152 C GLN B 25 15.217 12.783 7.368 1.00 10.00 C ATOM 1153 O GLN B 25 16.073 13.600 7.091 1.00 10.00 O ATOM 1154 CB GLN B 25 16.138 10.697 8.423 1.00 10.00 C ATOM 1155 CG GLN B 25 16.305 9.943 9.744 1.00 10.00 C ATOM 1156 CD GLN B 25 16.876 10.888 10.804 1.00 10.00 C ATOM 1157 OE1 GLN B 25 16.175 11.734 11.322 1.00 10.00 O ATOM 1158 NE2 GLN B 25 18.130 10.780 11.150 1.00 10.00 N ATOM 0 H GLN B 25 13.707 10.540 8.681 1.00 10.00 H new ATOM 0 HA GLN B 25 15.736 12.601 9.418 1.00 10.00 H new ATOM 0 HB2 GLN B 25 15.654 10.057 7.686 1.00 10.00 H new ATOM 0 HB3 GLN B 25 17.114 10.965 8.020 1.00 10.00 H new ATOM 0 HG2 GLN B 25 15.344 9.548 10.074 1.00 10.00 H new ATOM 0 HG3 GLN B 25 16.970 9.090 9.606 1.00 10.00 H new ATOM 0 HE21 GLN B 25 18.720 10.070 10.716 1.00 10.00 H new ATOM 0 HE22 GLN B 25 18.520 11.406 11.855 1.00 10.00 H new ATOM 1167 N GLN B 26 14.194 12.577 6.581 1.00 10.00 N ATOM 1168 CA GLN B 26 14.059 13.351 5.314 1.00 10.00 C ATOM 1169 C GLN B 26 15.440 13.574 4.689 1.00 10.00 C ATOM 1170 O GLN B 26 15.970 14.667 4.724 1.00 10.00 O ATOM 1171 CB GLN B 26 13.433 14.677 5.738 1.00 10.00 C ATOM 1172 CG GLN B 26 11.909 14.538 5.780 1.00 10.00 C ATOM 1173 CD GLN B 26 11.338 14.580 4.359 1.00 10.00 C ATOM 1174 OE1 GLN B 26 10.307 13.996 4.091 1.00 10.00 O ATOM 1175 NE2 GLN B 26 11.962 15.253 3.429 1.00 10.00 N ATOM 0 H GLN B 26 13.447 11.906 6.761 1.00 10.00 H new ATOM 0 HA GLN B 26 13.455 12.837 4.567 1.00 10.00 H new ATOM 0 HB2 GLN B 26 13.808 14.970 6.718 1.00 10.00 H new ATOM 0 HB3 GLN B 26 13.717 15.464 5.039 1.00 10.00 H new ATOM 0 HG2 GLN B 26 11.635 13.600 6.263 1.00 10.00 H new ATOM 0 HG3 GLN B 26 11.479 15.342 6.377 1.00 10.00 H new ATOM 0 HE21 GLN B 26 12.828 15.745 3.649 1.00 10.00 H new ATOM 0 HE22 GLN B 26 11.583 15.287 2.483 1.00 10.00 H new ATOM 1184 N PRO B 27 15.982 12.516 4.147 1.00 10.00 N ATOM 1185 CA PRO B 27 17.324 12.578 3.518 1.00 10.00 C ATOM 1186 C PRO B 27 17.287 13.408 2.233 1.00 10.00 C ATOM 1187 O PRO B 27 16.238 13.615 1.654 1.00 10.00 O ATOM 1188 CB PRO B 27 17.646 11.116 3.214 1.00 10.00 C ATOM 1189 CG PRO B 27 16.315 10.448 3.116 1.00 10.00 C ATOM 1190 CD PRO B 27 15.403 11.173 4.068 1.00 10.00 C ATOM 0 HA PRO B 27 18.070 13.052 4.156 1.00 10.00 H new ATOM 0 HB2 PRO B 27 18.207 11.019 2.285 1.00 10.00 H new ATOM 0 HB3 PRO B 27 18.255 10.672 4.002 1.00 10.00 H new ATOM 0 HG2 PRO B 27 15.930 10.497 2.097 1.00 10.00 H new ATOM 0 HG3 PRO B 27 16.390 9.393 3.378 1.00 10.00 H new ATOM 0 HD2 PRO B 27 14.378 11.200 3.699 1.00 10.00 H new ATOM 0 HD3 PRO B 27 15.377 10.690 5.045 1.00 10.00 H new ATOM 1198 N PRO B 28 18.445 13.854 1.830 1.00 10.00 N ATOM 1199 CA PRO B 28 18.567 14.669 0.599 1.00 10.00 C ATOM 1200 C PRO B 28 18.292 13.811 -0.639 1.00 10.00 C ATOM 1201 O PRO B 28 18.082 14.317 -1.723 1.00 10.00 O ATOM 1202 CB PRO B 28 20.019 15.145 0.625 1.00 10.00 C ATOM 1203 CG PRO B 28 20.734 14.132 1.460 1.00 10.00 C ATOM 1204 CD PRO B 28 19.741 13.642 2.479 1.00 10.00 C ATOM 0 HA PRO B 28 17.856 15.494 0.558 1.00 10.00 H new ATOM 0 HB2 PRO B 28 20.437 15.196 -0.380 1.00 10.00 H new ATOM 0 HB3 PRO B 28 20.101 16.143 1.056 1.00 10.00 H new ATOM 0 HG2 PRO B 28 21.097 13.309 0.845 1.00 10.00 H new ATOM 0 HG3 PRO B 28 21.603 14.574 1.947 1.00 10.00 H new ATOM 0 HD2 PRO B 28 19.901 12.591 2.721 1.00 10.00 H new ATOM 0 HD3 PRO B 28 19.817 14.199 3.413 1.00 10.00 H new ATOM 1212 N ASP B 29 18.292 12.516 -0.481 1.00 10.00 N ATOM 1213 CA ASP B 29 18.032 11.622 -1.644 1.00 10.00 C ATOM 1214 C ASP B 29 17.615 10.231 -1.155 1.00 10.00 C ATOM 1215 O ASP B 29 18.354 9.560 -0.461 1.00 10.00 O ATOM 1216 CB ASP B 29 19.362 11.550 -2.395 1.00 10.00 C ATOM 1217 CG ASP B 29 19.514 12.787 -3.283 1.00 10.00 C ATOM 1218 OD1 ASP B 29 18.597 13.069 -4.036 1.00 10.00 O ATOM 1219 OD2 ASP B 29 20.547 13.433 -3.193 1.00 10.00 O ATOM 0 H ASP B 29 18.461 12.038 0.404 1.00 10.00 H new ATOM 0 HA ASP B 29 17.227 11.992 -2.279 1.00 10.00 H new ATOM 0 HB2 ASP B 29 20.189 11.493 -1.687 1.00 10.00 H new ATOM 0 HB3 ASP B 29 19.400 10.646 -3.003 1.00 10.00 H new ATOM 1224 N LEU B 30 16.438 9.796 -1.508 1.00 10.00 N ATOM 1225 CA LEU B 30 15.972 8.450 -1.061 1.00 10.00 C ATOM 1226 C LEU B 30 16.943 7.367 -1.537 1.00 10.00 C ATOM 1227 O LEU B 30 17.533 6.661 -0.745 1.00 10.00 O ATOM 1228 CB LEU B 30 14.606 8.270 -1.718 1.00 10.00 C ATOM 1229 CG LEU B 30 13.892 7.071 -1.094 1.00 10.00 C ATOM 1230 CD1 LEU B 30 13.250 7.491 0.229 1.00 10.00 C ATOM 1231 CD2 LEU B 30 12.809 6.570 -2.050 1.00 10.00 C ATOM 0 H LEU B 30 15.777 10.313 -2.087 1.00 10.00 H new ATOM 0 HA LEU B 30 15.918 8.371 0.025 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.007 9.171 -1.588 1.00 10.00 H new ATOM 0 HB3 LEU B 30 14.724 8.118 -2.791 1.00 10.00 H new ATOM 0 HG LEU B 30 14.612 6.274 -0.910 1.00 10.00 H new ATOM 0 HD11 LEU B 30 12.741 6.636 0.674 1.00 10.00 H new ATOM 0 HD12 LEU B 30 14.022 7.849 0.911 1.00 10.00 H new ATOM 0 HD13 LEU B 30 12.529 8.288 0.047 1.00 10.00 H new ATOM 0 HD21 LEU B 30 12.299 5.715 -1.606 1.00 10.00 H new ATOM 0 HD22 LEU B 30 12.088 7.367 -2.233 1.00 10.00 H new ATOM 0 HD23 LEU B 30 13.266 6.270 -2.993 1.00 10.00 H new ATOM 1243 N VAL B 31 17.109 7.232 -2.826 1.00 10.00 N ATOM 1244 CA VAL B 31 18.041 6.194 -3.361 1.00 10.00 C ATOM 1245 C VAL B 31 19.224 6.009 -2.412 1.00 10.00 C ATOM 1246 O VAL B 31 19.356 4.997 -1.753 1.00 10.00 O ATOM 1247 CB VAL B 31 18.525 6.753 -4.697 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.351 5.690 -5.424 1.00 10.00 C ATOM 1249 CG2 VAL B 31 17.320 7.136 -5.557 1.00 10.00 C ATOM 0 H VAL B 31 16.639 7.796 -3.534 1.00 10.00 H new ATOM 0 HA VAL B 31 17.558 5.223 -3.469 1.00 10.00 H new ATOM 0 HB VAL B 31 19.140 7.635 -4.520 1.00 10.00 H new ATOM 0 HG11 VAL B 31 19.697 6.088 -6.378 1.00 10.00 H new ATOM 0 HG12 VAL B 31 20.210 5.415 -4.812 1.00 10.00 H new ATOM 0 HG13 VAL B 31 18.735 4.808 -5.601 1.00 10.00 H new ATOM 0 HG21 VAL B 31 17.666 7.535 -6.511 1.00 10.00 H new ATOM 0 HG22 VAL B 31 16.705 6.254 -5.734 1.00 10.00 H new ATOM 0 HG23 VAL B 31 16.730 7.892 -5.040 1.00 10.00 H new ATOM 1259 N ASP B 32 20.081 6.986 -2.340 1.00 10.00 N ATOM 1260 CA ASP B 32 21.258 6.885 -1.436 1.00 10.00 C ATOM 1261 C ASP B 32 20.801 6.555 -0.014 1.00 10.00 C ATOM 1262 O ASP B 32 21.388 5.733 0.660 1.00 10.00 O ATOM 1263 CB ASP B 32 21.899 8.269 -1.495 1.00 10.00 C ATOM 1264 CG ASP B 32 23.421 8.127 -1.560 1.00 10.00 C ATOM 1265 OD1 ASP B 32 23.941 7.237 -0.907 1.00 10.00 O ATOM 1266 OD2 ASP B 32 24.039 8.911 -2.260 1.00 10.00 O ATOM 0 H ASP B 32 20.017 7.855 -2.871 1.00 10.00 H new ATOM 0 HA ASP B 32 21.953 6.098 -1.730 1.00 10.00 H new ATOM 0 HB2 ASP B 32 21.537 8.812 -2.368 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.615 8.850 -0.618 1.00 10.00 H new ATOM 1271 N PHE B 33 19.754 7.184 0.445 1.00 10.00 N ATOM 1272 CA PHE B 33 19.262 6.894 1.822 1.00 10.00 C ATOM 1273 C PHE B 33 18.880 5.416 1.935 1.00 10.00 C ATOM 1274 O PHE B 33 19.150 4.769 2.927 1.00 10.00 O ATOM 1275 CB PHE B 33 18.031 7.782 2.008 1.00 10.00 C ATOM 1276 CG PHE B 33 17.208 7.252 3.157 1.00 10.00 C ATOM 1277 CD1 PHE B 33 17.654 7.422 4.475 1.00 10.00 C ATOM 1278 CD2 PHE B 33 16.004 6.583 2.907 1.00 10.00 C ATOM 1279 CE1 PHE B 33 16.897 6.921 5.540 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.246 6.084 3.972 1.00 10.00 C ATOM 1281 CZ PHE B 33 15.693 6.252 5.288 1.00 10.00 C ATOM 0 H PHE B 33 19.220 7.883 -0.071 1.00 10.00 H new ATOM 0 HA PHE B 33 20.018 7.093 2.582 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.335 8.810 2.206 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.436 7.796 1.095 1.00 10.00 H new ATOM 0 HD1 PHE B 33 18.582 7.940 4.669 1.00 10.00 H new ATOM 0 HD2 PHE B 33 15.660 6.452 1.892 1.00 10.00 H new ATOM 0 HE1 PHE B 33 17.241 7.050 6.556 1.00 10.00 H new ATOM 0 HE2 PHE B 33 14.316 5.569 3.779 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.109 5.865 6.110 1.00 10.00 H new ATOM 1291 N ALA B 34 18.253 4.879 0.923 1.00 10.00 N ATOM 1292 CA ALA B 34 17.853 3.444 0.967 1.00 10.00 C ATOM 1293 C ALA B 34 19.081 2.562 1.205 1.00 10.00 C ATOM 1294 O ALA B 34 19.022 1.572 1.907 1.00 10.00 O ATOM 1295 CB ALA B 34 17.253 3.157 -0.410 1.00 10.00 C ATOM 0 H ALA B 34 18.001 5.373 0.067 1.00 10.00 H new ATOM 0 HA ALA B 34 17.148 3.237 1.772 1.00 10.00 H new ATOM 0 HB1 ALA B 34 16.933 2.116 -0.458 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.395 3.808 -0.576 1.00 10.00 H new ATOM 0 HB3 ALA B 34 18.003 3.342 -1.179 1.00 10.00 H new ATOM 1301 N VAL B 35 20.192 2.912 0.621 1.00 10.00 N ATOM 1302 CA VAL B 35 21.418 2.105 0.800 1.00 10.00 C ATOM 1303 C VAL B 35 21.953 2.258 2.226 1.00 10.00 C ATOM 1304 O VAL B 35 22.256 1.291 2.894 1.00 10.00 O ATOM 1305 CB VAL B 35 22.387 2.702 -0.210 1.00 10.00 C ATOM 1306 CG1 VAL B 35 23.801 2.264 0.126 1.00 10.00 C ATOM 1307 CG2 VAL B 35 22.023 2.219 -1.611 1.00 10.00 C ATOM 0 H VAL B 35 20.299 3.731 0.023 1.00 10.00 H new ATOM 0 HA VAL B 35 21.256 1.038 0.649 1.00 10.00 H new ATOM 0 HB VAL B 35 22.326 3.790 -0.174 1.00 10.00 H new ATOM 0 HG11 VAL B 35 24.496 2.691 -0.597 1.00 10.00 H new ATOM 0 HG12 VAL B 35 24.061 2.609 1.127 1.00 10.00 H new ATOM 0 HG13 VAL B 35 23.863 1.176 0.090 1.00 10.00 H new ATOM 0 HG21 VAL B 35 22.717 2.646 -2.335 1.00 10.00 H new ATOM 0 HG22 VAL B 35 22.084 1.131 -1.648 1.00 10.00 H new ATOM 0 HG23 VAL B 35 21.008 2.534 -1.852 1.00 10.00 H new ATOM 1317 N GLU B 36 22.073 3.469 2.692 1.00 10.00 N ATOM 1318 CA GLU B 36 22.593 3.693 4.072 1.00 10.00 C ATOM 1319 C GLU B 36 21.788 2.881 5.092 1.00 10.00 C ATOM 1320 O GLU B 36 22.332 2.093 5.837 1.00 10.00 O ATOM 1321 CB GLU B 36 22.412 5.190 4.321 1.00 10.00 C ATOM 1322 CG GLU B 36 23.546 5.961 3.643 1.00 10.00 C ATOM 1323 CD GLU B 36 24.398 6.656 4.706 1.00 10.00 C ATOM 1324 OE1 GLU B 36 23.950 7.661 5.233 1.00 10.00 O ATOM 1325 OE2 GLU B 36 25.484 6.169 4.978 1.00 10.00 O ATOM 0 H GLU B 36 21.833 4.316 2.177 1.00 10.00 H new ATOM 0 HA GLU B 36 23.632 3.380 4.173 1.00 10.00 H new ATOM 0 HB2 GLU B 36 21.449 5.521 3.931 1.00 10.00 H new ATOM 0 HB3 GLU B 36 22.409 5.394 5.392 1.00 10.00 H new ATOM 0 HG2 GLU B 36 24.162 5.280 3.056 1.00 10.00 H new ATOM 0 HG3 GLU B 36 23.137 6.697 2.951 1.00 10.00 H new ATOM 1332 N TYR B 37 20.498 3.073 5.136 1.00 10.00 N ATOM 1333 CA TYR B 37 19.665 2.318 6.118 1.00 10.00 C ATOM 1334 C TYR B 37 19.848 0.809 5.934 1.00 10.00 C ATOM 1335 O TYR B 37 20.244 0.107 6.842 1.00 10.00 O ATOM 1336 CB TYR B 37 18.224 2.723 5.807 1.00 10.00 C ATOM 1337 CG TYR B 37 17.275 1.809 6.548 1.00 10.00 C ATOM 1338 CD1 TYR B 37 17.620 1.322 7.814 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.053 1.448 5.966 1.00 10.00 C ATOM 1340 CE1 TYR B 37 16.742 0.473 8.501 1.00 10.00 C ATOM 1341 CE2 TYR B 37 15.176 0.599 6.652 1.00 10.00 C ATOM 1342 CZ TYR B 37 15.520 0.112 7.920 1.00 10.00 C ATOM 1343 OH TYR B 37 14.656 -0.724 8.596 1.00 10.00 O ATOM 0 H TYR B 37 19.984 3.719 4.536 1.00 10.00 H new ATOM 0 HA TYR B 37 19.943 2.543 7.148 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.054 3.758 6.102 1.00 10.00 H new ATOM 0 HB3 TYR B 37 18.041 2.663 4.734 1.00 10.00 H new ATOM 0 HD1 TYR B 37 18.563 1.600 8.261 1.00 10.00 H new ATOM 0 HD2 TYR B 37 15.788 1.824 4.989 1.00 10.00 H new ATOM 0 HE1 TYR B 37 17.008 0.097 9.478 1.00 10.00 H new ATOM 0 HE2 TYR B 37 14.234 0.319 6.204 1.00 10.00 H new ATOM 0 HH TYR B 37 13.854 -0.873 8.053 1.00 10.00 H new ATOM 1353 N PHE B 38 19.554 0.305 4.767 1.00 10.00 N ATOM 1354 CA PHE B 38 19.702 -1.160 4.529 1.00 10.00 C ATOM 1355 C PHE B 38 21.156 -1.598 4.735 1.00 10.00 C ATOM 1356 O PHE B 38 21.436 -2.513 5.486 1.00 10.00 O ATOM 1357 CB PHE B 38 19.273 -1.366 3.076 1.00 10.00 C ATOM 1358 CG PHE B 38 17.769 -1.297 2.982 1.00 10.00 C ATOM 1359 CD1 PHE B 38 16.977 -2.025 3.878 1.00 10.00 C ATOM 1360 CD2 PHE B 38 17.164 -0.505 1.997 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.581 -1.961 3.791 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.768 -0.442 1.910 1.00 10.00 C ATOM 1363 CZ PHE B 38 14.977 -1.169 2.808 1.00 10.00 C ATOM 0 H PHE B 38 19.218 0.843 3.968 1.00 10.00 H new ATOM 0 HA PHE B 38 19.102 -1.752 5.221 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.723 -0.603 2.441 1.00 10.00 H new ATOM 0 HB3 PHE B 38 19.627 -2.331 2.714 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.443 -2.636 4.637 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.774 0.057 1.305 1.00 10.00 H new ATOM 0 HE1 PHE B 38 14.970 -2.523 4.482 1.00 10.00 H new ATOM 0 HE2 PHE B 38 15.301 0.167 1.150 1.00 10.00 H new ATOM 0 HZ PHE B 38 13.900 -1.118 2.742 1.00 10.00 H new ATOM 1373 N THR B 39 22.086 -0.958 4.077 1.00 10.00 N ATOM 1374 CA THR B 39 23.518 -1.349 4.243 1.00 10.00 C ATOM 1375 C THR B 39 23.895 -1.368 5.727 1.00 10.00 C ATOM 1376 O THR B 39 24.655 -2.204 6.170 1.00 10.00 O ATOM 1377 CB THR B 39 24.316 -0.278 3.495 1.00 10.00 C ATOM 1378 OG1 THR B 39 24.081 -0.400 2.100 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.807 -0.459 3.781 1.00 10.00 C ATOM 0 H THR B 39 21.918 -0.184 3.434 1.00 10.00 H new ATOM 0 HA THR B 39 23.719 -2.347 3.854 1.00 10.00 H new ATOM 0 HB THR B 39 24.001 0.710 3.830 1.00 10.00 H new ATOM 0 HG1 THR B 39 23.377 0.226 1.831 1.00 10.00 H new ATOM 0 HG21 THR B 39 26.375 0.304 3.248 1.00 10.00 H new ATOM 0 HG22 THR B 39 25.986 -0.363 4.852 1.00 10.00 H new ATOM 0 HG23 THR B 39 26.124 -1.447 3.447 1.00 10.00 H new ATOM 1387 N ARG B 40 23.367 -0.458 6.499 1.00 10.00 N ATOM 1388 CA ARG B 40 23.698 -0.436 7.951 1.00 10.00 C ATOM 1389 C ARG B 40 22.865 -1.481 8.696 1.00 10.00 C ATOM 1390 O ARG B 40 23.350 -2.164 9.576 1.00 10.00 O ATOM 1391 CB ARG B 40 23.337 0.973 8.424 1.00 10.00 C ATOM 1392 CG ARG B 40 24.600 1.837 8.465 1.00 10.00 C ATOM 1393 CD ARG B 40 24.497 2.836 9.620 1.00 10.00 C ATOM 1394 NE ARG B 40 25.150 2.159 10.774 1.00 10.00 N ATOM 1395 CZ ARG B 40 24.867 2.530 11.993 1.00 10.00 C ATOM 1396 NH1 ARG B 40 23.641 2.840 12.313 1.00 10.00 N ATOM 1397 NH2 ARG B 40 25.811 2.592 12.891 1.00 10.00 N ATOM 0 H ARG B 40 22.723 0.269 6.188 1.00 10.00 H new ATOM 0 HA ARG B 40 24.746 -0.670 8.138 1.00 10.00 H new ATOM 0 HB2 ARG B 40 22.602 1.416 7.752 1.00 10.00 H new ATOM 0 HB3 ARG B 40 22.880 0.930 9.413 1.00 10.00 H new ATOM 0 HG2 ARG B 40 25.480 1.207 8.592 1.00 10.00 H new ATOM 0 HG3 ARG B 40 24.721 2.368 7.521 1.00 10.00 H new ATOM 0 HD2 ARG B 40 24.998 3.773 9.377 1.00 10.00 H new ATOM 0 HD3 ARG B 40 23.457 3.078 9.841 1.00 10.00 H new ATOM 0 HE ARG B 40 25.818 1.406 10.612 1.00 10.00 H new ATOM 0 HH11 ARG B 40 22.903 2.793 11.610 1.00 10.00 H new ATOM 0 HH12 ARG B 40 23.420 3.130 13.266 1.00 10.00 H new ATOM 0 HH21 ARG B 40 26.770 2.351 12.640 1.00 10.00 H new ATOM 0 HH22 ARG B 40 25.590 2.882 13.844 1.00 10.00 H new ATOM 1411 N LEU B 41 21.613 -1.613 8.350 1.00 10.00 N ATOM 1412 CA LEU B 41 20.752 -2.617 9.038 1.00 10.00 C ATOM 1413 C LEU B 41 21.477 -3.962 9.124 1.00 10.00 C ATOM 1414 O LEU B 41 21.294 -4.719 10.056 1.00 10.00 O ATOM 1415 CB LEU B 41 19.502 -2.734 8.165 1.00 10.00 C ATOM 1416 CG LEU B 41 18.265 -2.870 9.056 1.00 10.00 C ATOM 1417 CD1 LEU B 41 17.071 -3.315 8.210 1.00 10.00 C ATOM 1418 CD2 LEU B 41 18.534 -3.911 10.145 1.00 10.00 C ATOM 0 H LEU B 41 21.150 -1.070 7.622 1.00 10.00 H new ATOM 0 HA LEU B 41 20.508 -2.322 10.059 1.00 10.00 H new ATOM 0 HB2 LEU B 41 19.408 -1.855 7.527 1.00 10.00 H new ATOM 0 HB3 LEU B 41 19.585 -3.599 7.507 1.00 10.00 H new ATOM 0 HG LEU B 41 18.043 -1.908 9.518 1.00 10.00 H new ATOM 0 HD11 LEU B 41 16.191 -3.412 8.845 1.00 10.00 H new ATOM 0 HD12 LEU B 41 16.879 -2.574 7.434 1.00 10.00 H new ATOM 0 HD13 LEU B 41 17.291 -4.277 7.747 1.00 10.00 H new ATOM 0 HD21 LEU B 41 17.654 -4.009 10.780 1.00 10.00 H new ATOM 0 HD22 LEU B 41 18.756 -4.873 9.682 1.00 10.00 H new ATOM 0 HD23 LEU B 41 19.384 -3.594 10.749 1.00 10.00 H new ATOM 1430 N ARG B 42 22.300 -4.265 8.158 1.00 10.00 N ATOM 1431 CA ARG B 42 23.038 -5.562 8.186 1.00 10.00 C ATOM 1432 C ARG B 42 23.984 -5.602 9.388 1.00 10.00 C ATOM 1433 O ARG B 42 24.058 -6.582 10.102 1.00 10.00 O ATOM 1434 CB ARG B 42 23.831 -5.594 6.879 1.00 10.00 C ATOM 1435 CG ARG B 42 22.881 -5.394 5.697 1.00 10.00 C ATOM 1436 CD ARG B 42 22.912 -6.634 4.800 1.00 10.00 C ATOM 1437 NE ARG B 42 23.990 -6.364 3.809 1.00 10.00 N ATOM 1438 CZ ARG B 42 25.234 -6.615 4.112 1.00 10.00 C ATOM 1439 NH1 ARG B 42 25.634 -7.849 4.257 1.00 10.00 N ATOM 1440 NH2 ARG B 42 26.078 -5.632 4.270 1.00 10.00 N ATOM 0 H ARG B 42 22.494 -3.672 7.351 1.00 10.00 H new ATOM 0 HA ARG B 42 22.369 -6.418 8.278 1.00 10.00 H new ATOM 0 HB2 ARG B 42 24.591 -4.813 6.884 1.00 10.00 H new ATOM 0 HB3 ARG B 42 24.353 -6.546 6.782 1.00 10.00 H new ATOM 0 HG2 ARG B 42 21.867 -5.218 6.057 1.00 10.00 H new ATOM 0 HG3 ARG B 42 23.174 -4.512 5.127 1.00 10.00 H new ATOM 0 HD2 ARG B 42 23.123 -7.534 5.378 1.00 10.00 H new ATOM 0 HD3 ARG B 42 21.952 -6.789 4.307 1.00 10.00 H new ATOM 0 HE ARG B 42 23.756 -5.982 2.892 1.00 10.00 H new ATOM 0 HH11 ARG B 42 24.974 -8.617 4.133 1.00 10.00 H new ATOM 0 HH12 ARG B 42 26.606 -8.045 4.494 1.00 10.00 H new ATOM 0 HH21 ARG B 42 25.765 -4.668 4.157 1.00 10.00 H new ATOM 0 HH22 ARG B 42 27.051 -5.828 4.507 1.00 10.00 H new ATOM 1454 N GLU B 43 24.710 -4.541 9.617 1.00 10.00 N ATOM 1455 CA GLU B 43 25.654 -4.515 10.771 1.00 10.00 C ATOM 1456 C GLU B 43 24.888 -4.692 12.085 1.00 10.00 C ATOM 1457 O GLU B 43 25.413 -5.194 13.059 1.00 10.00 O ATOM 1458 CB GLU B 43 26.310 -3.135 10.714 1.00 10.00 C ATOM 1459 CG GLU B 43 27.820 -3.292 10.534 1.00 10.00 C ATOM 1460 CD GLU B 43 28.372 -4.208 11.627 1.00 10.00 C ATOM 1461 OE1 GLU B 43 28.406 -5.408 11.406 1.00 10.00 O ATOM 1462 OE2 GLU B 43 28.752 -3.695 12.667 1.00 10.00 O ATOM 0 H GLU B 43 24.690 -3.691 9.054 1.00 10.00 H new ATOM 0 HA GLU B 43 26.389 -5.318 10.722 1.00 10.00 H new ATOM 0 HB2 GLU B 43 25.893 -2.557 9.889 1.00 10.00 H new ATOM 0 HB3 GLU B 43 26.098 -2.582 11.629 1.00 10.00 H new ATOM 0 HG2 GLU B 43 28.038 -3.709 9.551 1.00 10.00 H new ATOM 0 HG3 GLU B 43 28.306 -2.317 10.582 1.00 10.00 H new ATOM 1469 N ALA B 44 23.652 -4.280 12.120 1.00 10.00 N ATOM 1470 CA ALA B 44 22.851 -4.422 13.371 1.00 10.00 C ATOM 1471 C ALA B 44 22.798 -5.878 13.808 1.00 10.00 C ATOM 1472 O ALA B 44 23.313 -6.253 14.842 1.00 10.00 O ATOM 1473 CB ALA B 44 21.441 -3.975 13.003 1.00 10.00 C ATOM 0 H ALA B 44 23.160 -3.850 11.337 1.00 10.00 H new ATOM 0 HA ALA B 44 23.285 -3.839 14.183 1.00 10.00 H new ATOM 0 HB1 ALA B 44 20.795 -4.053 13.877 1.00 10.00 H new ATOM 0 HB2 ALA B 44 21.465 -2.940 12.661 1.00 10.00 H new ATOM 0 HB3 ALA B 44 21.054 -4.612 12.208 1.00 10.00 H new ATOM 1479 N ARG B 45 22.143 -6.692 13.029 1.00 10.00 N ATOM 1480 CA ARG B 45 22.002 -8.127 13.382 1.00 10.00 C ATOM 1481 C ARG B 45 23.214 -8.615 14.181 1.00 10.00 C ATOM 1482 O ARG B 45 23.249 -8.522 15.392 1.00 10.00 O ATOM 1483 CB ARG B 45 21.906 -8.861 12.045 1.00 10.00 C ATOM 1484 CG ARG B 45 20.465 -8.808 11.536 1.00 10.00 C ATOM 1485 CD ARG B 45 19.820 -10.189 11.675 1.00 10.00 C ATOM 1486 NE ARG B 45 18.370 -9.913 11.877 1.00 10.00 N ATOM 1487 CZ ARG B 45 17.751 -10.395 12.920 1.00 10.00 C ATOM 1488 NH1 ARG B 45 18.390 -10.552 14.048 1.00 10.00 N ATOM 1489 NH2 ARG B 45 16.490 -10.718 12.836 1.00 10.00 N ATOM 0 H ARG B 45 21.695 -6.419 12.154 1.00 10.00 H new ATOM 0 HA ARG B 45 21.128 -8.305 14.009 1.00 10.00 H new ATOM 0 HB2 ARG B 45 22.577 -8.403 11.318 1.00 10.00 H new ATOM 0 HB3 ARG B 45 22.223 -9.897 12.163 1.00 10.00 H new ATOM 0 HG2 ARG B 45 19.896 -8.071 12.102 1.00 10.00 H new ATOM 0 HG3 ARG B 45 20.448 -8.491 10.493 1.00 10.00 H new ATOM 0 HD2 ARG B 45 19.987 -10.795 10.785 1.00 10.00 H new ATOM 0 HD3 ARG B 45 20.239 -10.738 12.518 1.00 10.00 H new ATOM 0 HE ARG B 45 17.860 -9.346 11.199 1.00 10.00 H new ATOM 0 HH11 ARG B 45 19.375 -10.298 14.116 1.00 10.00 H new ATOM 0 HH12 ARG B 45 17.904 -10.929 14.861 1.00 10.00 H new ATOM 0 HH21 ARG B 45 15.989 -10.594 11.956 1.00 10.00 H new ATOM 0 HH22 ARG B 45 16.005 -11.095 13.650 1.00 10.00 H new ATOM 1503 N ARG B 46 24.209 -9.134 13.515 1.00 10.00 N ATOM 1504 CA ARG B 46 25.416 -9.624 14.241 1.00 10.00 C ATOM 1505 C ARG B 46 26.212 -8.438 14.793 1.00 10.00 C ATOM 1506 O ARG B 46 27.086 -8.668 15.612 1.00 10.00 O ATOM 1507 CB ARG B 46 26.230 -10.382 13.191 1.00 10.00 C ATOM 1508 CG ARG B 46 27.689 -10.482 13.643 1.00 10.00 C ATOM 1509 CD ARG B 46 28.329 -11.737 13.045 1.00 10.00 C ATOM 1510 NE ARG B 46 29.231 -12.256 14.112 1.00 10.00 N ATOM 1511 CZ ARG B 46 30.032 -11.441 14.743 1.00 10.00 C ATOM 1512 NH1 ARG B 46 31.213 -11.176 14.254 1.00 10.00 N ATOM 1513 NH2 ARG B 46 29.652 -10.892 15.864 1.00 10.00 N ATOM 1514 OXT ARG B 46 25.934 -7.322 14.388 1.00 10.00 O ATOM 0 H ARG B 46 24.239 -9.240 12.501 1.00 10.00 H new ATOM 0 HA ARG B 46 25.163 -10.259 15.090 1.00 10.00 H new ATOM 0 HB2 ARG B 46 25.815 -11.379 13.046 1.00 10.00 H new ATOM 0 HB3 ARG B 46 26.171 -9.869 12.231 1.00 10.00 H new ATOM 0 HG2 ARG B 46 28.239 -9.596 13.327 1.00 10.00 H new ATOM 0 HG3 ARG B 46 27.741 -10.519 14.731 1.00 10.00 H new ATOM 0 HD2 ARG B 46 27.573 -12.474 12.774 1.00 10.00 H new ATOM 0 HD3 ARG B 46 28.885 -11.502 12.138 1.00 10.00 H new ATOM 0 HE ARG B 46 29.222 -13.248 14.349 1.00 10.00 H new ATOM 0 HH11 ARG B 46 31.511 -11.606 13.378 1.00 10.00 H new ATOM 0 HH12 ARG B 46 31.838 -10.539 14.748 1.00 10.00 H new ATOM 0 HH21 ARG B 46 28.730 -11.100 16.247 1.00 10.00 H new ATOM 0 HH22 ARG B 46 30.277 -10.255 16.358 1.00 10.00 H new TER 1528 ARG B 46