USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 249 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 70:sc= 0.17 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -69:sc= 0.503 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc=-0.00739 X(o=-0.0074,f=-0.0074) USER MOD Single : A 30 SER OG : rot 84:sc= 0.257 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.068 11.849 15.951 1.00 0.00 N ATOM 2 CA MET A 1 2.707 12.452 15.985 1.00 0.00 C ATOM 3 C MET A 1 2.791 13.978 16.142 1.00 0.00 C ATOM 4 O MET A 1 3.438 14.484 17.066 1.00 0.00 O ATOM 5 CB MET A 1 1.740 11.796 16.986 1.00 0.00 C ATOM 6 CG MET A 1 1.377 10.315 16.950 1.00 0.00 C ATOM 7 SD MET A 1 1.490 9.654 18.625 1.00 0.00 S ATOM 8 CE MET A 1 0.893 7.978 18.433 1.00 0.00 C ATOM 0 H1 MET A 1 3.988 10.818 15.844 1.00 0.00 H new ATOM 0 H2 MET A 1 4.601 12.240 15.148 1.00 0.00 H new ATOM 0 H3 MET A 1 4.567 12.068 16.837 1.00 0.00 H new ATOM 0 HA MET A 1 2.256 12.237 15.016 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.146 11.990 17.979 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.801 12.345 16.913 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.369 10.182 16.558 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.051 9.776 16.284 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.916 7.471 19.398 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.130 7.997 18.057 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.529 7.444 17.727 1.00 0.00 H new ATOM 18 N ILE A 2 2.250 14.634 15.103 1.00 0.00 N ATOM 19 CA ILE A 2 2.234 16.065 14.763 1.00 0.00 C ATOM 20 C ILE A 2 0.802 16.621 14.613 1.00 0.00 C ATOM 21 O ILE A 2 -0.054 15.970 14.004 1.00 0.00 O ATOM 22 CB ILE A 2 3.259 16.368 13.626 1.00 0.00 C ATOM 23 CG1 ILE A 2 3.908 17.761 13.574 1.00 0.00 C ATOM 24 CG2 ILE A 2 3.011 15.961 12.175 1.00 0.00 C ATOM 25 CD1 ILE A 2 5.191 18.053 14.327 1.00 0.00 C ATOM 0 H ILE A 2 1.749 14.103 14.390 1.00 0.00 H new ATOM 0 HA ILE A 2 2.601 16.656 15.602 1.00 0.00 H new ATOM 0 HB ILE A 2 3.926 15.620 14.055 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.095 17.987 12.524 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.162 18.474 13.925 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.855 16.273 11.560 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.899 14.878 12.115 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.102 16.441 11.813 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.483 19.090 14.161 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.033 17.887 15.393 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.981 17.392 13.970 1.00 0.00 H new ATOM 36 N SER A 3 0.533 17.725 15.330 1.00 0.00 N ATOM 37 CA SER A 3 -0.563 18.697 15.187 1.00 0.00 C ATOM 38 C SER A 3 -0.225 19.933 14.333 1.00 0.00 C ATOM 39 O SER A 3 0.724 20.652 14.662 1.00 0.00 O ATOM 40 CB SER A 3 -1.227 19.049 16.532 1.00 0.00 C ATOM 41 OG SER A 3 -2.012 18.018 17.110 1.00 0.00 O ATOM 0 H SER A 3 1.142 17.985 16.105 1.00 0.00 H new ATOM 0 HA SER A 3 -1.317 18.173 14.600 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.448 19.330 17.240 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.858 19.926 16.388 1.00 0.00 H new ATOM 0 HG SER A 3 -2.390 18.331 17.958 1.00 0.00 H new ATOM 46 N ASP A 4 -0.595 19.722 13.057 1.00 0.00 N ATOM 47 CA ASP A 4 -0.772 20.589 11.874 1.00 0.00 C ATOM 48 C ASP A 4 -1.814 20.044 10.867 1.00 0.00 C ATOM 49 O ASP A 4 -2.124 18.851 10.944 1.00 0.00 O ATOM 50 CB ASP A 4 0.516 20.887 11.082 1.00 0.00 C ATOM 51 CG ASP A 4 1.624 21.738 11.684 1.00 0.00 C ATOM 52 OD1 ASP A 4 1.600 22.973 11.484 1.00 0.00 O ATOM 53 OD2 ASP A 4 2.683 21.159 12.007 1.00 0.00 O ATOM 0 H ASP A 4 -0.816 18.764 12.787 1.00 0.00 H new ATOM 0 HA ASP A 4 -1.123 21.516 12.326 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.958 19.926 10.818 1.00 0.00 H new ATOM 0 HB3 ASP A 4 0.215 21.366 10.151 1.00 0.00 H new ATOM 57 N GLU A 5 -2.497 20.914 10.092 1.00 0.00 N ATOM 58 CA GLU A 5 -3.218 20.813 8.796 1.00 0.00 C ATOM 59 C GLU A 5 -2.396 20.812 7.475 1.00 0.00 C ATOM 60 O GLU A 5 -1.321 21.419 7.497 1.00 0.00 O ATOM 61 CB GLU A 5 -4.286 21.934 8.789 1.00 0.00 C ATOM 62 CG GLU A 5 -5.636 21.911 9.512 1.00 0.00 C ATOM 63 CD GLU A 5 -6.942 22.012 8.737 1.00 0.00 C ATOM 64 OE1 GLU A 5 -7.379 23.141 8.426 1.00 0.00 O ATOM 65 OE2 GLU A 5 -7.736 21.052 8.841 1.00 0.00 O ATOM 0 H GLU A 5 -2.567 21.877 10.422 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.630 19.804 8.773 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.775 22.826 9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.520 22.107 7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.676 20.985 10.085 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.627 22.730 10.231 1.00 0.00 H new ATOM 70 N GLN A 6 -2.868 20.196 6.357 1.00 0.00 N ATOM 71 CA GLN A 6 -2.343 19.808 5.014 1.00 0.00 C ATOM 72 C GLN A 6 -1.411 18.580 4.895 1.00 0.00 C ATOM 73 O GLN A 6 -0.926 18.292 3.796 1.00 0.00 O ATOM 74 CB GLN A 6 -2.089 21.057 4.141 1.00 0.00 C ATOM 75 CG GLN A 6 -3.149 21.625 3.198 1.00 0.00 C ATOM 76 CD GLN A 6 -3.626 23.069 3.304 1.00 0.00 C ATOM 77 OE1 GLN A 6 -3.687 23.719 4.349 1.00 0.00 O ATOM 78 NE2 GLN A 6 -4.093 23.584 2.171 1.00 0.00 N ATOM 0 H GLN A 6 -3.842 19.897 6.392 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.151 19.275 4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.812 21.862 4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.212 20.839 3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -2.774 21.490 2.184 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -4.031 20.993 3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -4.042 23.045 1.307 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -4.502 24.518 2.166 1.00 0.00 H new ATOM 85 N LEU A 7 -1.688 17.596 5.767 1.00 0.00 N ATOM 86 CA LEU A 7 -1.183 16.224 5.959 1.00 0.00 C ATOM 87 C LEU A 7 -1.806 15.086 5.114 1.00 0.00 C ATOM 88 O LEU A 7 -1.715 13.891 5.417 1.00 0.00 O ATOM 89 CB LEU A 7 -1.184 16.011 7.483 1.00 0.00 C ATOM 90 CG LEU A 7 -0.097 16.461 8.482 1.00 0.00 C ATOM 91 CD1 LEU A 7 1.163 15.610 8.527 1.00 0.00 C ATOM 92 CD2 LEU A 7 0.358 17.915 8.570 1.00 0.00 C ATOM 0 H LEU A 7 -2.397 17.781 6.477 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.181 16.147 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.110 16.464 7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.281 14.935 7.625 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.746 16.304 9.343 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.854 16.021 9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.902 14.589 8.805 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.637 15.610 7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.128 18.010 9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.763 18.228 7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.491 18.547 8.829 1.00 0.00 H new ATOM 103 N ASN A 8 -2.530 15.484 4.065 1.00 0.00 N ATOM 104 CA ASN A 8 -2.717 14.939 2.705 1.00 0.00 C ATOM 105 C ASN A 8 -1.493 14.857 1.766 1.00 0.00 C ATOM 106 O ASN A 8 -1.503 14.033 0.842 1.00 0.00 O ATOM 107 CB ASN A 8 -3.922 15.733 2.163 1.00 0.00 C ATOM 108 CG ASN A 8 -4.961 14.975 1.326 1.00 0.00 C ATOM 109 OD1 ASN A 8 -5.939 14.432 1.849 1.00 0.00 O ATOM 110 ND2 ASN A 8 -4.806 14.850 0.009 1.00 0.00 N ATOM 0 H ASN A 8 -3.089 16.331 4.162 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.894 13.865 2.755 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.438 16.180 3.013 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.537 16.553 1.557 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.484 14.318 -0.536 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.009 15.286 -0.454 1.00 0.00 H new ATOM 116 N SER A 9 -0.400 15.574 2.074 1.00 0.00 N ATOM 117 CA SER A 9 0.984 15.421 1.599 1.00 0.00 C ATOM 118 C SER A 9 1.718 14.146 2.049 1.00 0.00 C ATOM 119 O SER A 9 2.579 13.729 1.266 1.00 0.00 O ATOM 120 CB SER A 9 1.849 16.669 1.849 1.00 0.00 C ATOM 121 OG SER A 9 1.233 17.918 1.542 1.00 0.00 O ATOM 0 H SER A 9 -0.472 16.354 2.728 1.00 0.00 H new ATOM 0 HA SER A 9 0.848 15.302 0.524 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.146 16.679 2.898 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.762 16.580 1.260 1.00 0.00 H new ATOM 0 HG SER A 9 0.527 18.104 2.195 1.00 0.00 H new ATOM 126 N LEU A 10 1.159 13.401 3.025 1.00 0.00 N ATOM 127 CA LEU A 10 1.224 11.958 3.287 1.00 0.00 C ATOM 128 C LEU A 10 0.502 11.050 2.282 1.00 0.00 C ATOM 129 O LEU A 10 1.262 10.262 1.723 1.00 0.00 O ATOM 130 CB LEU A 10 1.013 11.721 4.792 1.00 0.00 C ATOM 131 CG LEU A 10 0.641 10.410 5.517 1.00 0.00 C ATOM 132 CD1 LEU A 10 1.336 10.189 6.859 1.00 0.00 C ATOM 133 CD2 LEU A 10 -0.863 10.349 5.724 1.00 0.00 C ATOM 0 H LEU A 10 0.582 13.858 3.731 1.00 0.00 H new ATOM 0 HA LEU A 10 2.227 11.593 3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.941 12.048 5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.240 12.433 5.083 1.00 0.00 H new ATOM 0 HG LEU A 10 0.994 9.613 4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.008 9.242 7.287 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.416 10.165 6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.081 11.002 7.539 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.123 9.422 6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.182 11.199 6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.365 10.382 4.757 1.00 0.00 H new ATOM 144 N ALA A 11 -0.769 11.213 1.890 1.00 0.00 N ATOM 145 CA ALA A 11 -1.542 10.381 0.955 1.00 0.00 C ATOM 146 C ALA A 11 -1.159 10.278 -0.533 1.00 0.00 C ATOM 147 O ALA A 11 -1.533 9.301 -1.190 1.00 0.00 O ATOM 148 CB ALA A 11 -2.962 10.893 1.063 1.00 0.00 C ATOM 0 H ALA A 11 -1.327 11.989 2.245 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.341 9.358 1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.606 10.323 0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.313 10.779 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.991 11.946 0.784 1.00 0.00 H new ATOM 154 N ILE A 12 -0.094 11.030 -0.827 1.00 0.00 N ATOM 155 CA ILE A 12 0.858 10.998 -1.947 1.00 0.00 C ATOM 156 C ILE A 12 2.173 10.326 -1.487 1.00 0.00 C ATOM 157 O ILE A 12 2.187 9.143 -1.834 1.00 0.00 O ATOM 158 CB ILE A 12 0.790 12.351 -2.734 1.00 0.00 C ATOM 159 CG1 ILE A 12 -0.172 12.555 -3.931 1.00 0.00 C ATOM 160 CG2 ILE A 12 2.069 13.009 -3.252 1.00 0.00 C ATOM 161 CD1 ILE A 12 -1.639 12.905 -3.784 1.00 0.00 C ATOM 0 H ILE A 12 0.157 11.787 -0.191 1.00 0.00 H new ATOM 0 HA ILE A 12 0.621 10.328 -2.774 1.00 0.00 H new ATOM 0 HB ILE A 12 0.402 12.803 -1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.269 13.339 -4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.135 11.634 -4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.818 13.935 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.730 13.230 -2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.572 12.332 -3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.093 12.993 -4.771 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.145 12.121 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.736 13.853 -3.255 1.00 0.00 H new ATOM 172 N THR A 13 2.944 10.747 -0.462 1.00 0.00 N ATOM 173 CA THR A 13 4.222 10.235 0.086 1.00 0.00 C ATOM 174 C THR A 13 4.350 8.737 0.413 1.00 0.00 C ATOM 175 O THR A 13 4.867 8.038 -0.459 1.00 0.00 O ATOM 176 CB THR A 13 4.857 11.315 1.013 1.00 0.00 C ATOM 177 OG1 THR A 13 6.196 11.600 0.582 1.00 0.00 O ATOM 178 CG2 THR A 13 4.834 11.558 2.529 1.00 0.00 C ATOM 0 H THR A 13 2.646 11.563 0.073 1.00 0.00 H new ATOM 0 HA THR A 13 4.923 10.113 -0.739 1.00 0.00 H new ATOM 0 HB THR A 13 3.957 11.908 0.850 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.590 12.281 1.167 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.422 12.445 2.764 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.806 11.707 2.858 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.258 10.695 3.042 1.00 0.00 H new ATOM 186 N PHE A 14 3.477 8.318 1.329 1.00 0.00 N ATOM 187 CA PHE A 14 2.826 7.076 1.778 1.00 0.00 C ATOM 188 C PHE A 14 2.088 6.137 0.823 1.00 0.00 C ATOM 189 O PHE A 14 2.303 4.927 0.956 1.00 0.00 O ATOM 190 CB PHE A 14 2.182 7.447 3.129 1.00 0.00 C ATOM 191 CG PHE A 14 0.825 7.000 3.619 1.00 0.00 C ATOM 192 CD1 PHE A 14 -0.286 7.530 2.984 1.00 0.00 C ATOM 193 CD2 PHE A 14 0.634 5.953 4.517 1.00 0.00 C ATOM 194 CE1 PHE A 14 -1.517 6.908 3.090 1.00 0.00 C ATOM 195 CE2 PHE A 14 -0.605 5.347 4.657 1.00 0.00 C ATOM 196 CZ PHE A 14 -1.676 5.793 3.899 1.00 0.00 C ATOM 0 H PHE A 14 3.116 9.054 1.937 1.00 0.00 H new ATOM 0 HA PHE A 14 3.584 6.298 1.866 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.891 7.124 3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.160 8.536 3.155 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.191 8.435 2.402 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.465 5.607 5.114 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.361 7.294 2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.735 4.532 5.353 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.624 5.278 3.938 1.00 0.00 H new ATOM 205 N GLY A 15 1.554 6.749 -0.234 1.00 0.00 N ATOM 206 CA GLY A 15 0.540 6.277 -1.165 1.00 0.00 C ATOM 207 C GLY A 15 1.004 5.812 -2.538 1.00 0.00 C ATOM 208 O GLY A 15 0.243 4.979 -3.034 1.00 0.00 O ATOM 0 H GLY A 15 1.858 7.691 -0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.009 5.451 -0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.183 7.080 -1.309 1.00 0.00 H new ATOM 212 N ILE A 16 2.132 6.296 -3.096 1.00 0.00 N ATOM 213 CA ILE A 16 3.056 5.543 -3.924 1.00 0.00 C ATOM 214 C ILE A 16 3.783 4.343 -3.272 1.00 0.00 C ATOM 215 O ILE A 16 3.855 3.333 -3.986 1.00 0.00 O ATOM 216 CB ILE A 16 3.869 6.377 -4.948 1.00 0.00 C ATOM 217 CG1 ILE A 16 4.655 7.680 -4.703 1.00 0.00 C ATOM 218 CG2 ILE A 16 3.407 6.216 -6.394 1.00 0.00 C ATOM 219 CD1 ILE A 16 3.905 8.955 -4.459 1.00 0.00 C ATOM 0 H ILE A 16 2.423 7.265 -2.968 1.00 0.00 H new ATOM 0 HA ILE A 16 2.364 4.999 -4.566 1.00 0.00 H new ATOM 0 HB ILE A 16 4.739 5.822 -4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.306 7.513 -3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.301 7.840 -5.566 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.027 6.832 -7.045 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.497 5.171 -6.690 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.367 6.530 -6.481 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.613 9.770 -4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.276 9.178 -5.321 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.281 8.846 -3.572 1.00 0.00 H new ATOM 230 N VAL A 17 4.059 4.344 -1.941 1.00 0.00 N ATOM 231 CA VAL A 17 4.460 3.245 -1.049 1.00 0.00 C ATOM 232 C VAL A 17 3.339 2.257 -0.669 1.00 0.00 C ATOM 233 O VAL A 17 3.679 1.069 -0.609 1.00 0.00 O ATOM 234 CB VAL A 17 5.304 3.638 0.201 1.00 0.00 C ATOM 235 CG1 VAL A 17 6.676 2.988 0.262 1.00 0.00 C ATOM 236 CG2 VAL A 17 5.827 5.058 0.281 1.00 0.00 C ATOM 0 H VAL A 17 3.996 5.217 -1.418 1.00 0.00 H new ATOM 0 HA VAL A 17 5.143 2.710 -1.709 1.00 0.00 H new ATOM 0 HB VAL A 17 4.559 3.367 0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.194 3.316 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.564 1.904 0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.255 3.277 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.395 5.185 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.474 5.256 -0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.989 5.755 0.272 1.00 0.00 H new ATOM 246 N MET A 18 2.069 2.694 -0.500 1.00 0.00 N ATOM 247 CA MET A 18 0.842 1.898 -0.379 1.00 0.00 C ATOM 248 C MET A 18 0.274 1.279 -1.663 1.00 0.00 C ATOM 249 O MET A 18 0.091 0.064 -1.572 1.00 0.00 O ATOM 250 CB MET A 18 -0.234 2.650 0.405 1.00 0.00 C ATOM 251 CG MET A 18 -0.384 2.368 1.900 1.00 0.00 C ATOM 252 SD MET A 18 -2.100 2.379 2.457 1.00 0.00 S ATOM 253 CE MET A 18 -2.039 1.449 3.987 1.00 0.00 C ATOM 0 H MET A 18 1.869 3.692 -0.441 1.00 0.00 H new ATOM 0 HA MET A 18 1.171 1.025 0.184 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.044 3.717 0.287 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.194 2.443 -0.069 1.00 0.00 H new ATOM 0 HG2 MET A 18 0.058 1.398 2.126 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.178 3.114 2.462 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.039 1.392 4.418 1.00 0.00 H new ATOM 0 HE2 MET A 18 -1.672 0.442 3.787 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.369 1.946 4.689 1.00 0.00 H new ATOM 261 N MET A 19 0.378 1.933 -2.834 1.00 0.00 N ATOM 262 CA MET A 19 0.156 1.417 -4.183 1.00 0.00 C ATOM 263 C MET A 19 1.089 0.299 -4.656 1.00 0.00 C ATOM 264 O MET A 19 0.491 -0.703 -5.056 1.00 0.00 O ATOM 265 CB MET A 19 0.047 2.515 -5.266 1.00 0.00 C ATOM 266 CG MET A 19 -1.275 3.229 -5.532 1.00 0.00 C ATOM 267 SD MET A 19 -1.398 3.908 -7.199 1.00 0.00 S ATOM 268 CE MET A 19 -3.137 4.340 -7.183 1.00 0.00 C ATOM 0 H MET A 19 0.642 2.918 -2.855 1.00 0.00 H new ATOM 0 HA MET A 19 -0.820 0.947 -4.061 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.780 3.283 -5.017 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.363 2.067 -6.208 1.00 0.00 H new ATOM 0 HG2 MET A 19 -2.096 2.530 -5.370 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.396 4.036 -4.809 1.00 0.00 H new ATOM 0 HE1 MET A 19 -3.411 4.782 -8.141 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.733 3.443 -7.013 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.326 5.058 -6.385 1.00 0.00 H new ATOM 276 N THR A 20 2.321 0.263 -4.128 1.00 0.00 N ATOM 277 CA THR A 20 3.307 -0.808 -4.253 1.00 0.00 C ATOM 278 C THR A 20 3.136 -2.020 -3.324 1.00 0.00 C ATOM 279 O THR A 20 3.210 -3.098 -3.911 1.00 0.00 O ATOM 280 CB THR A 20 4.776 -0.321 -4.235 1.00 0.00 C ATOM 281 OG1 THR A 20 5.115 0.711 -3.296 1.00 0.00 O ATOM 282 CG2 THR A 20 5.359 0.057 -5.596 1.00 0.00 C ATOM 0 H THR A 20 2.674 1.037 -3.565 1.00 0.00 H new ATOM 0 HA THR A 20 3.075 -1.177 -5.252 1.00 0.00 H new ATOM 0 HB THR A 20 5.244 -1.241 -3.884 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.683 1.550 -3.561 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.391 0.384 -5.471 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.330 -0.809 -6.257 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.772 0.866 -6.031 1.00 0.00 H new ATOM 290 N LEU A 21 2.674 -1.875 -2.071 1.00 0.00 N ATOM 291 CA LEU A 21 2.142 -2.864 -1.111 1.00 0.00 C ATOM 292 C LEU A 21 0.752 -3.457 -1.416 1.00 0.00 C ATOM 293 O LEU A 21 0.792 -4.689 -1.410 1.00 0.00 O ATOM 294 CB LEU A 21 2.327 -2.518 0.382 1.00 0.00 C ATOM 295 CG LEU A 21 3.454 -3.078 1.265 1.00 0.00 C ATOM 296 CD1 LEU A 21 3.449 -2.323 2.585 1.00 0.00 C ATOM 297 CD2 LEU A 21 3.371 -4.535 1.695 1.00 0.00 C ATOM 0 H LEU A 21 2.662 -0.945 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 21 2.826 -3.690 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.412 -1.433 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.393 -2.789 0.874 1.00 0.00 H new ATOM 0 HG LEU A 21 4.331 -2.971 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.243 -2.706 3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.614 -1.262 2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.487 -2.459 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.235 -4.782 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.458 -4.693 2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.360 -5.175 0.813 1.00 0.00 H new ATOM 308 N ILE A 22 -0.216 -2.764 -2.049 1.00 0.00 N ATOM 309 CA ILE A 22 -1.531 -3.178 -2.581 1.00 0.00 C ATOM 310 C ILE A 22 -1.550 -4.085 -3.822 1.00 0.00 C ATOM 311 O ILE A 22 -2.383 -4.996 -3.877 1.00 0.00 O ATOM 312 CB ILE A 22 -2.659 -2.130 -2.508 1.00 0.00 C ATOM 313 CG1 ILE A 22 -4.093 -2.597 -2.724 1.00 0.00 C ATOM 314 CG2 ILE A 22 -2.533 -0.794 -3.179 1.00 0.00 C ATOM 315 CD1 ILE A 22 -4.973 -2.973 -1.557 1.00 0.00 C ATOM 0 H ILE A 22 -0.074 -1.769 -2.222 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.813 -3.893 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.450 -1.970 -1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.607 -1.806 -3.270 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.050 -3.464 -3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.437 -0.212 -3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.674 -0.262 -2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.396 -0.937 -4.251 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.953 -3.277 -1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.518 -3.799 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.084 -2.115 -0.894 1.00 0.00 H new ATOM 326 N VAL A 23 -0.671 -3.776 -4.786 1.00 0.00 N ATOM 327 CA VAL A 23 -0.243 -4.408 -6.029 1.00 0.00 C ATOM 328 C VAL A 23 0.731 -5.572 -5.745 1.00 0.00 C ATOM 329 O VAL A 23 0.717 -6.525 -6.532 1.00 0.00 O ATOM 330 CB VAL A 23 0.227 -3.247 -6.936 1.00 0.00 C ATOM 331 CG1 VAL A 23 0.704 -3.750 -8.293 1.00 0.00 C ATOM 332 CG2 VAL A 23 -0.826 -2.315 -7.532 1.00 0.00 C ATOM 0 H VAL A 23 -0.150 -2.906 -4.678 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.025 -4.933 -6.577 1.00 0.00 H new ATOM 0 HB VAL A 23 0.914 -2.772 -6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.026 -2.905 -8.902 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.539 -4.436 -8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.112 -4.269 -8.796 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.336 -1.556 -8.142 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.513 -2.891 -8.152 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.381 -1.832 -6.728 1.00 0.00 H new ATOM 342 N ILE A 24 1.339 -5.591 -4.541 1.00 0.00 N ATOM 343 CA ILE A 24 2.112 -6.666 -3.910 1.00 0.00 C ATOM 344 C ILE A 24 1.402 -7.737 -3.055 1.00 0.00 C ATOM 345 O ILE A 24 1.492 -8.916 -3.414 1.00 0.00 O ATOM 346 CB ILE A 24 3.564 -6.155 -3.665 1.00 0.00 C ATOM 347 CG1 ILE A 24 4.761 -6.466 -4.573 1.00 0.00 C ATOM 348 CG2 ILE A 24 4.133 -6.327 -2.273 1.00 0.00 C ATOM 349 CD1 ILE A 24 4.849 -5.688 -5.857 1.00 0.00 C ATOM 0 H ILE A 24 1.293 -4.773 -3.933 1.00 0.00 H new ATOM 0 HA ILE A 24 2.242 -7.525 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 24 3.216 -5.157 -3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.675 -6.291 -4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.736 -7.528 -4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.147 -5.929 -2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.511 -5.790 -1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.151 -7.386 -2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.736 -5.997 -6.410 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.961 -5.879 -6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.914 -4.623 -5.633 1.00 0.00 H new ATOM 360 N TYR A 25 0.469 -7.259 -2.220 1.00 0.00 N ATOM 361 CA TYR A 25 -0.740 -7.813 -1.579 1.00 0.00 C ATOM 362 C TYR A 25 -1.768 -8.478 -2.513 1.00 0.00 C ATOM 363 O TYR A 25 -1.821 -9.697 -2.340 1.00 0.00 O ATOM 364 CB TYR A 25 -1.204 -6.878 -0.443 1.00 0.00 C ATOM 365 CG TYR A 25 -0.667 -6.934 0.992 1.00 0.00 C ATOM 366 CD1 TYR A 25 0.624 -7.276 1.407 1.00 0.00 C ATOM 367 CD2 TYR A 25 -1.543 -6.581 2.020 1.00 0.00 C ATOM 368 CE1 TYR A 25 0.957 -7.338 2.763 1.00 0.00 C ATOM 369 CE2 TYR A 25 -1.218 -6.614 3.368 1.00 0.00 C ATOM 370 CZ TYR A 25 0.044 -7.017 3.758 1.00 0.00 C ATOM 371 OH TYR A 25 0.290 -7.262 5.097 1.00 0.00 O ATOM 0 H TYR A 25 0.566 -6.288 -1.923 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.488 -8.741 -1.065 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.026 -5.862 -0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.284 -7.004 -0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.378 -7.496 0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.538 -6.262 1.748 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.954 -7.645 3.045 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.949 -6.326 4.109 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.475 -6.962 5.630 1.00 0.00 H new ATOM 380 N HIS A 26 -1.950 -7.963 -3.738 1.00 0.00 N ATOM 381 CA HIS A 26 -2.535 -8.618 -4.915 1.00 0.00 C ATOM 382 C HIS A 26 -1.854 -9.858 -5.493 1.00 0.00 C ATOM 383 O HIS A 26 -2.659 -10.787 -5.412 1.00 0.00 O ATOM 384 CB HIS A 26 -3.006 -7.580 -5.958 1.00 0.00 C ATOM 385 CG HIS A 26 -3.786 -7.737 -7.237 1.00 0.00 C ATOM 386 ND1 HIS A 26 -5.125 -8.020 -7.384 1.00 0.00 N ATOM 387 CD2 HIS A 26 -3.210 -8.086 -8.402 1.00 0.00 C ATOM 388 CE1 HIS A 26 -5.322 -8.654 -8.527 1.00 0.00 C ATOM 389 NE2 HIS A 26 -4.169 -8.711 -9.172 1.00 0.00 N ATOM 0 H HIS A 26 -1.670 -7.004 -3.946 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.413 -9.117 -4.505 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.587 -6.863 -5.378 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.090 -7.075 -6.264 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.182 -7.909 -8.683 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -6.262 -9.056 -8.874 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -4.015 -9.143 -10.083 1.00 0.00 H new ATOM 397 N ALA A 27 -0.540 -10.008 -5.271 1.00 0.00 N ATOM 398 CA ALA A 27 0.305 -11.139 -5.677 1.00 0.00 C ATOM 399 C ALA A 27 0.614 -12.201 -4.606 1.00 0.00 C ATOM 400 O ALA A 27 0.758 -13.360 -5.007 1.00 0.00 O ATOM 401 CB ALA A 27 1.540 -10.520 -6.325 1.00 0.00 C ATOM 0 H ALA A 27 -0.006 -9.297 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.252 -11.761 -6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.215 -11.311 -6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.239 -9.922 -7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.050 -9.884 -5.602 1.00 0.00 H new ATOM 407 N VAL A 28 0.389 -11.879 -3.323 1.00 0.00 N ATOM 408 CA VAL A 28 0.537 -12.677 -2.101 1.00 0.00 C ATOM 409 C VAL A 28 -0.787 -13.280 -1.596 1.00 0.00 C ATOM 410 O VAL A 28 -0.839 -14.509 -1.488 1.00 0.00 O ATOM 411 CB VAL A 28 1.522 -12.036 -1.079 1.00 0.00 C ATOM 412 CG1 VAL A 28 2.632 -11.146 -1.606 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.235 -11.492 0.314 1.00 0.00 C ATOM 0 H VAL A 28 0.060 -10.941 -3.093 1.00 0.00 H new ATOM 0 HA VAL A 28 1.071 -13.595 -2.347 1.00 0.00 H new ATOM 0 HB VAL A 28 1.700 -13.097 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.230 -10.778 -0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.266 -11.718 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.198 -10.302 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.158 -11.115 0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.508 -10.683 0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.833 -12.289 0.940 1.00 0.00 H new ATOM 423 N ASP A 29 -1.779 -12.439 -1.270 1.00 0.00 N ATOM 424 CA ASP A 29 -3.240 -12.581 -1.165 1.00 0.00 C ATOM 425 C ASP A 29 -4.078 -12.990 -2.397 1.00 0.00 C ATOM 426 O ASP A 29 -5.241 -13.373 -2.229 1.00 0.00 O ATOM 427 CB ASP A 29 -3.672 -11.257 -0.512 1.00 0.00 C ATOM 428 CG ASP A 29 -4.350 -11.383 0.857 1.00 0.00 C ATOM 429 OD1 ASP A 29 -5.580 -11.594 0.936 1.00 0.00 O ATOM 430 OD2 ASP A 29 -3.748 -10.969 1.875 1.00 0.00 O ATOM 0 H ASP A 29 -1.528 -11.479 -1.034 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.460 -13.480 -0.589 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.793 -10.622 -0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.355 -10.744 -1.190 1.00 0.00 H new ATOM 434 N SER A 30 -3.458 -13.070 -3.585 1.00 0.00 N ATOM 435 CA SER A 30 -3.711 -13.905 -4.775 1.00 0.00 C ATOM 436 C SER A 30 -3.961 -15.412 -4.621 1.00 0.00 C ATOM 437 O SER A 30 -3.516 -15.996 -3.631 1.00 0.00 O ATOM 438 CB SER A 30 -2.623 -13.706 -5.835 1.00 0.00 C ATOM 439 OG SER A 30 -3.092 -13.137 -7.045 1.00 0.00 O ATOM 0 H SER A 30 -2.655 -12.466 -3.758 1.00 0.00 H new ATOM 0 HA SER A 30 -4.687 -13.517 -5.067 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.842 -13.066 -5.424 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.163 -14.670 -6.053 1.00 0.00 H new ATOM 0 HG SER A 30 -3.125 -12.162 -6.957 1.00 0.00 H new ATOM 444 N THR A 31 -4.817 -15.939 -5.513 1.00 0.00 N ATOM 445 CA THR A 31 -5.345 -17.305 -5.655 1.00 0.00 C ATOM 446 C THR A 31 -4.292 -18.367 -6.023 1.00 0.00 C ATOM 447 O THR A 31 -3.894 -18.555 -7.179 1.00 0.00 O ATOM 448 CB THR A 31 -6.676 -17.351 -6.459 1.00 0.00 C ATOM 449 OG1 THR A 31 -6.622 -16.699 -7.735 1.00 0.00 O ATOM 450 CG2 THR A 31 -7.928 -16.791 -5.785 1.00 0.00 C ATOM 0 H THR A 31 -5.203 -15.340 -6.243 1.00 0.00 H new ATOM 0 HA THR A 31 -5.629 -17.623 -4.652 1.00 0.00 H new ATOM 0 HB THR A 31 -6.770 -18.433 -6.546 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.493 -16.773 -8.177 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.779 -16.888 -6.460 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.127 -17.346 -4.868 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.773 -15.739 -5.546 1.00 0.00 H new ATOM 458 N MET A 32 -3.711 -18.774 -4.883 1.00 0.00 N ATOM 459 CA MET A 32 -2.531 -19.584 -4.543 1.00 0.00 C ATOM 460 C MET A 32 -2.947 -20.854 -3.777 1.00 0.00 C ATOM 461 O MET A 32 -3.909 -20.772 -3.012 1.00 0.00 O ATOM 462 CB MET A 32 -1.444 -18.697 -3.887 1.00 0.00 C ATOM 463 CG MET A 32 -1.308 -18.255 -2.426 1.00 0.00 C ATOM 464 SD MET A 32 -0.082 -19.059 -1.371 1.00 0.00 S ATOM 465 CE MET A 32 -0.022 -17.987 0.067 1.00 0.00 C ATOM 0 H MET A 32 -4.151 -18.480 -4.011 1.00 0.00 H new ATOM 0 HA MET A 32 -2.049 -19.973 -5.440 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.502 -19.196 -4.116 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.460 -17.769 -4.458 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.091 -17.187 -2.426 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.282 -18.383 -1.953 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.698 -18.381 0.784 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.281 -16.985 -0.238 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.008 -17.943 0.529 1.00 0.00 H new ATOM 473 N SER A 33 -2.180 -21.952 -3.862 1.00 0.00 N ATOM 474 CA SER A 33 -2.277 -23.304 -3.277 1.00 0.00 C ATOM 475 C SER A 33 -2.456 -23.416 -1.749 1.00 0.00 C ATOM 476 O SER A 33 -1.456 -23.154 -1.079 1.00 0.00 O ATOM 477 CB SER A 33 -1.072 -23.960 -4.002 1.00 0.00 C ATOM 478 OG SER A 33 -0.272 -24.978 -3.418 1.00 0.00 O ATOM 0 H SER A 33 -1.339 -21.903 -4.438 1.00 0.00 H new ATOM 0 HA SER A 33 -3.210 -23.844 -3.440 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.459 -24.370 -4.935 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.394 -23.149 -4.267 1.00 0.00 H new ATOM 0 HG SER A 33 0.428 -25.246 -4.049 1.00 0.00 H new ATOM 483 N PRO A 34 -3.665 -23.541 -1.122 1.00 0.00 N ATOM 484 CA PRO A 34 -3.843 -23.465 0.348 1.00 0.00 C ATOM 485 C PRO A 34 -3.628 -24.672 1.282 1.00 0.00 C ATOM 486 O PRO A 34 -4.336 -25.684 1.232 1.00 0.00 O ATOM 487 CB PRO A 34 -5.125 -22.648 0.576 1.00 0.00 C ATOM 488 CG PRO A 34 -5.817 -22.538 -0.740 1.00 0.00 C ATOM 489 CD PRO A 34 -5.004 -23.347 -1.722 1.00 0.00 C ATOM 0 HA PRO A 34 -2.937 -22.987 0.722 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.767 -23.136 1.309 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.887 -21.660 0.969 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.837 -22.918 -0.675 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.884 -21.497 -1.057 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.481 -24.307 -1.918 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.927 -22.828 -2.678 1.00 0.00 H new ATOM 494 N LYS A 35 -2.510 -24.531 2.016 1.00 0.00 N ATOM 495 CA LYS A 35 -1.733 -25.484 2.828 1.00 0.00 C ATOM 496 C LYS A 35 -2.083 -25.491 4.327 1.00 0.00 C ATOM 497 O LYS A 35 -2.364 -26.612 4.761 1.00 0.00 O ATOM 498 CB LYS A 35 -0.236 -25.278 2.502 1.00 0.00 C ATOM 499 CG LYS A 35 0.972 -26.203 2.721 1.00 0.00 C ATOM 500 CD LYS A 35 1.477 -26.743 4.066 1.00 0.00 C ATOM 501 CE LYS A 35 2.516 -25.985 4.893 1.00 0.00 C ATOM 502 NZ LYS A 35 2.606 -26.494 6.291 1.00 0.00 N ATOM 0 H LYS A 35 -2.068 -23.612 2.058 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.013 -26.500 2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.219 -25.058 1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.030 -24.357 3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.781 -27.083 2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.821 -25.683 2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.602 -26.876 4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.887 -27.735 3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.491 -26.071 4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.261 -24.925 4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.323 -25.950 6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.683 -26.389 6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.875 -27.498 6.278 1.00 0.00 H new ATOM 512 N ASN A 36 -2.304 -24.340 4.995 1.00 0.00 N ATOM 513 CA ASN A 36 -2.751 -24.196 6.386 1.00 0.00 C ATOM 514 C ASN A 36 -4.278 -23.990 6.453 1.00 0.00 C ATOM 515 O ASN A 36 -4.831 -23.078 5.793 1.00 0.00 O ATOM 516 CB ASN A 36 -2.134 -23.054 7.229 1.00 0.00 C ATOM 517 CG ASN A 36 -1.127 -23.347 8.333 1.00 0.00 C ATOM 518 OD1 ASN A 36 -1.219 -24.316 9.088 1.00 0.00 O ATOM 519 ND2 ASN A 36 -0.326 -22.338 8.657 1.00 0.00 N ATOM 520 OXT ASN A 36 -4.964 -24.698 7.220 1.00 0.00 O ATOM 0 H ASN A 36 -2.165 -23.435 4.546 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.403 -25.133 6.821 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.652 -22.368 6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.962 -22.513 7.688 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.208 -22.369 9.526 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.244 -21.532 8.037 1.00 0.00 H new TER 526 ASN A 36