USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 192 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 192 CACA :(metal ligand) USER MOD Set 1.1: A 36 MET CE :methyl 178:sc= -1.73 (180deg=-0.0207) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.88 K(o=-3.6,f=-12!) USER MOD Set 2.1: A 21 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.971) USER MOD Set 2.2: A 34 THR OG1 : rot 75:sc= 1 USER MOD Single : A 1 ALA N :NH3+ -164:sc= -0.0185 (180deg=-0.345) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.836 K(o=-0.84,f=-3.3!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= -1.19! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 30 LYS NZ :NH3+ -168:sc=-0.00646 (180deg=-0.171) USER MOD Single : A 38 SER OG : rot -33:sc= 0.17 USER MOD Single : A 42 ASN : amide:sc= -0.335 X(o=-0.34,f=-0.62) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0266 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0278 X(o=-0.028,f=-0.47) USER MOD Single : A 62 THR OG1 : rot -170:sc= -0.583 USER MOD Single : A 70 ASN : amide:sc= -1.1 X(o=-1.1,f=-0.73) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.171) USER MOD Single : A 76 MET CE :methyl -174:sc= 0 (180deg=-0.0129) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.571 -0.941 -15.856 1.00 0.00 N ATOM 2 CA ALA A 1 -16.424 -2.113 -16.199 1.00 0.00 C ATOM 3 C ALA A 1 -16.119 -3.251 -15.239 1.00 0.00 C ATOM 4 O ALA A 1 -17.001 -4.032 -14.882 1.00 0.00 O ATOM 5 CB ALA A 1 -16.135 -2.554 -17.636 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.952 -0.089 -16.314 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.564 -0.806 -14.825 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.600 -1.109 -16.189 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.476 -1.840 -16.115 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.760 -3.412 -17.886 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.354 -1.734 -18.319 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.085 -2.831 -17.727 1.00 0.00 H new ATOM 13 N ASP A 2 -14.863 -3.341 -14.818 1.00 0.00 N ATOM 14 CA ASP A 2 -14.449 -4.387 -13.892 1.00 0.00 C ATOM 15 C ASP A 2 -14.768 -3.972 -12.452 1.00 0.00 C ATOM 16 O ASP A 2 -14.037 -3.184 -11.856 1.00 0.00 O ATOM 17 CB ASP A 2 -12.943 -4.642 -14.042 1.00 0.00 C ATOM 18 CG ASP A 2 -12.661 -5.289 -15.397 1.00 0.00 C ATOM 19 OD1 ASP A 2 -13.598 -5.790 -15.997 1.00 0.00 O ATOM 20 OD2 ASP A 2 -11.516 -5.268 -15.817 1.00 0.00 O ATOM 0 H ASP A 2 -14.117 -2.706 -15.102 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.993 -5.303 -14.122 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.395 -3.703 -13.956 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.593 -5.290 -13.239 1.00 0.00 H new ATOM 25 N GLN A 3 -15.872 -4.491 -11.913 1.00 0.00 N ATOM 26 CA GLN A 3 -16.285 -4.157 -10.549 1.00 0.00 C ATOM 27 C GLN A 3 -15.468 -4.944 -9.524 1.00 0.00 C ATOM 28 O GLN A 3 -15.218 -6.133 -9.703 1.00 0.00 O ATOM 29 CB GLN A 3 -17.774 -4.468 -10.366 1.00 0.00 C ATOM 30 CG GLN A 3 -18.036 -5.936 -10.725 1.00 0.00 C ATOM 31 CD GLN A 3 -19.517 -6.260 -10.565 1.00 0.00 C ATOM 32 OE1 GLN A 3 -20.347 -5.356 -10.497 1.00 0.00 O ATOM 33 NE2 GLN A 3 -19.899 -7.507 -10.503 1.00 0.00 N ATOM 0 H GLN A 3 -16.493 -5.140 -12.396 1.00 0.00 H new ATOM 0 HA GLN A 3 -16.110 -3.093 -10.389 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -18.073 -4.275 -9.336 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -18.374 -3.815 -11.000 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -17.723 -6.129 -11.751 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -17.442 -6.587 -10.083 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -19.208 -8.255 -10.560 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -20.888 -7.733 -10.398 1.00 0.00 H new ATOM 42 N LEU A 4 -15.058 -4.276 -8.446 1.00 0.00 N ATOM 43 CA LEU A 4 -14.274 -4.927 -7.392 1.00 0.00 C ATOM 44 C LEU A 4 -15.188 -5.662 -6.404 1.00 0.00 C ATOM 45 O LEU A 4 -16.373 -5.348 -6.294 1.00 0.00 O ATOM 46 CB LEU A 4 -13.447 -3.875 -6.649 1.00 0.00 C ATOM 47 CG LEU A 4 -12.366 -3.313 -7.591 1.00 0.00 C ATOM 48 CD1 LEU A 4 -11.725 -2.078 -6.951 1.00 0.00 C ATOM 49 CD2 LEU A 4 -11.274 -4.373 -7.860 1.00 0.00 C ATOM 0 H LEU A 4 -15.254 -3.289 -8.278 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.611 -5.659 -7.853 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -14.093 -3.070 -6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.982 -4.318 -5.768 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.834 -3.043 -8.537 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.960 -1.679 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.489 -1.319 -6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.270 -2.356 -6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.520 -3.957 -8.528 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.806 -4.661 -6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.725 -5.250 -8.324 1.00 0.00 H new ATOM 61 N THR A 5 -14.631 -6.651 -5.693 1.00 0.00 N ATOM 62 CA THR A 5 -15.412 -7.427 -4.725 1.00 0.00 C ATOM 63 C THR A 5 -15.230 -6.892 -3.309 1.00 0.00 C ATOM 64 O THR A 5 -14.305 -6.132 -3.032 1.00 0.00 O ATOM 65 CB THR A 5 -14.982 -8.898 -4.752 1.00 0.00 C ATOM 66 OG1 THR A 5 -14.866 -9.330 -6.098 1.00 0.00 O ATOM 67 CG2 THR A 5 -16.021 -9.760 -4.026 1.00 0.00 C ATOM 0 H THR A 5 -13.653 -6.930 -5.769 1.00 0.00 H new ATOM 0 HA THR A 5 -16.461 -7.338 -5.007 1.00 0.00 H new ATOM 0 HB THR A 5 -14.020 -9.000 -4.250 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.589 -10.270 -6.117 1.00 0.00 H new ATOM 0 HG21 THR A 5 -15.708 -10.804 -4.050 1.00 0.00 H new ATOM 0 HG22 THR A 5 -16.108 -9.430 -2.991 1.00 0.00 H new ATOM 0 HG23 THR A 5 -16.987 -9.659 -4.521 1.00 0.00 H new ATOM 75 N ASP A 6 -16.108 -7.328 -2.415 1.00 0.00 N ATOM 76 CA ASP A 6 -16.033 -6.932 -1.017 1.00 0.00 C ATOM 77 C ASP A 6 -14.803 -7.551 -0.376 1.00 0.00 C ATOM 78 O ASP A 6 -14.109 -6.921 0.421 1.00 0.00 O ATOM 79 CB ASP A 6 -17.280 -7.408 -0.274 1.00 0.00 C ATOM 80 CG ASP A 6 -18.492 -6.592 -0.711 1.00 0.00 C ATOM 81 OD1 ASP A 6 -18.295 -5.544 -1.303 1.00 0.00 O ATOM 82 OD2 ASP A 6 -19.601 -7.030 -0.449 1.00 0.00 O ATOM 0 H ASP A 6 -16.881 -7.957 -2.635 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.969 -5.845 -0.959 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.452 -8.465 -0.475 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.133 -7.308 0.801 1.00 0.00 H new ATOM 87 N GLU A 7 -14.560 -8.806 -0.729 1.00 0.00 N ATOM 88 CA GLU A 7 -13.431 -9.542 -0.188 1.00 0.00 C ATOM 89 C GLU A 7 -12.119 -8.879 -0.567 1.00 0.00 C ATOM 90 O GLU A 7 -11.243 -8.690 0.275 1.00 0.00 O ATOM 91 CB GLU A 7 -13.441 -10.972 -0.730 1.00 0.00 C ATOM 92 CG GLU A 7 -14.641 -11.732 -0.166 1.00 0.00 C ATOM 93 CD GLU A 7 -14.731 -13.108 -0.815 1.00 0.00 C ATOM 94 OE1 GLU A 7 -13.923 -13.383 -1.688 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.602 -13.869 -0.427 1.00 0.00 O ATOM 0 H GLU A 7 -15.132 -9.334 -1.388 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.520 -9.551 0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.487 -10.957 -1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.516 -11.480 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.543 -11.835 0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.558 -11.172 -0.351 1.00 0.00 H new ATOM 102 N GLN A 8 -11.985 -8.521 -1.834 1.00 0.00 N ATOM 103 CA GLN A 8 -10.764 -7.878 -2.299 1.00 0.00 C ATOM 104 C GLN A 8 -10.604 -6.529 -1.615 1.00 0.00 C ATOM 105 O GLN A 8 -9.490 -6.089 -1.336 1.00 0.00 O ATOM 106 CB GLN A 8 -10.817 -7.706 -3.831 1.00 0.00 C ATOM 107 CG GLN A 8 -10.195 -8.931 -4.515 1.00 0.00 C ATOM 108 CD GLN A 8 -10.903 -10.208 -4.064 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.113 -10.342 -4.229 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.212 -11.161 -3.496 1.00 0.00 N ATOM 0 H GLN A 8 -12.696 -8.662 -2.552 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.905 -8.501 -2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.850 -7.582 -4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.280 -6.804 -4.123 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.270 -8.829 -5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.134 -8.991 -4.273 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.207 -11.050 -3.359 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.677 -12.015 -3.190 1.00 0.00 H new ATOM 119 N ILE A 9 -11.726 -5.896 -1.320 1.00 0.00 N ATOM 120 CA ILE A 9 -11.707 -4.613 -0.638 1.00 0.00 C ATOM 121 C ILE A 9 -11.410 -4.808 0.845 1.00 0.00 C ATOM 122 O ILE A 9 -10.484 -4.214 1.390 1.00 0.00 O ATOM 123 CB ILE A 9 -13.050 -3.910 -0.825 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.183 -3.475 -2.288 1.00 0.00 C ATOM 125 CG2 ILE A 9 -13.114 -2.678 0.080 1.00 0.00 C ATOM 126 CD1 ILE A 9 -14.635 -3.100 -2.579 1.00 0.00 C ATOM 0 H ILE A 9 -12.658 -6.247 -1.541 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.920 -3.992 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.861 -4.590 -0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.530 -2.625 -2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.865 -4.282 -2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.073 -2.177 -0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.008 -2.985 1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.307 -1.993 -0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.729 -2.791 -3.620 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.277 -3.962 -2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.936 -2.279 -1.928 1.00 0.00 H new ATOM 138 N SER A 10 -12.209 -5.629 1.503 1.00 0.00 N ATOM 139 CA SER A 10 -12.004 -5.859 2.917 1.00 0.00 C ATOM 140 C SER A 10 -10.586 -6.365 3.164 1.00 0.00 C ATOM 141 O SER A 10 -9.880 -5.848 4.028 1.00 0.00 O ATOM 142 CB SER A 10 -13.010 -6.888 3.413 1.00 0.00 C ATOM 143 OG SER A 10 -12.781 -7.152 4.791 1.00 0.00 O ATOM 0 H SER A 10 -12.990 -6.137 1.089 1.00 0.00 H new ATOM 0 HA SER A 10 -12.144 -4.923 3.457 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.025 -6.519 3.267 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.919 -7.808 2.836 1.00 0.00 H new ATOM 0 HG SER A 10 -13.430 -7.813 5.110 1.00 0.00 H new ATOM 149 N GLU A 11 -10.159 -7.358 2.379 1.00 0.00 N ATOM 150 CA GLU A 11 -8.811 -7.892 2.531 1.00 0.00 C ATOM 151 C GLU A 11 -7.789 -6.789 2.297 1.00 0.00 C ATOM 152 O GLU A 11 -6.794 -6.686 3.018 1.00 0.00 O ATOM 153 CB GLU A 11 -8.576 -9.034 1.532 1.00 0.00 C ATOM 154 CG GLU A 11 -9.379 -10.277 1.942 1.00 0.00 C ATOM 155 CD GLU A 11 -9.172 -11.387 0.914 1.00 0.00 C ATOM 156 OE1 GLU A 11 -8.407 -11.177 -0.015 1.00 0.00 O ATOM 157 OE2 GLU A 11 -9.778 -12.434 1.070 1.00 0.00 O ATOM 0 H GLU A 11 -10.717 -7.798 1.647 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.700 -8.279 3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.870 -8.717 0.531 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.514 -9.277 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.062 -10.618 2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.438 -10.029 2.016 1.00 0.00 H new ATOM 164 N PHE A 12 -8.050 -5.956 1.303 1.00 0.00 N ATOM 165 CA PHE A 12 -7.162 -4.841 0.992 1.00 0.00 C ATOM 166 C PHE A 12 -7.078 -3.895 2.190 1.00 0.00 C ATOM 167 O PHE A 12 -5.993 -3.518 2.633 1.00 0.00 O ATOM 168 CB PHE A 12 -7.747 -4.102 -0.225 1.00 0.00 C ATOM 169 CG PHE A 12 -7.291 -4.709 -1.537 1.00 0.00 C ATOM 170 CD1 PHE A 12 -6.886 -6.055 -1.641 1.00 0.00 C ATOM 171 CD2 PHE A 12 -7.304 -3.904 -2.674 1.00 0.00 C ATOM 172 CE1 PHE A 12 -6.491 -6.564 -2.884 1.00 0.00 C ATOM 173 CE2 PHE A 12 -6.914 -4.416 -3.908 1.00 0.00 C ATOM 174 CZ PHE A 12 -6.506 -5.739 -4.015 1.00 0.00 C ATOM 0 H PHE A 12 -8.867 -6.028 0.697 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.157 -5.201 0.770 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.836 -4.127 -0.174 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.450 -3.054 -0.189 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.880 -6.690 -0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.619 -2.874 -2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.175 -7.593 -2.970 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.929 -3.784 -4.783 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.200 -6.132 -4.973 1.00 0.00 H new ATOM 184 N LYS A 13 -8.246 -3.531 2.695 1.00 0.00 N ATOM 185 CA LYS A 13 -8.367 -2.633 3.836 1.00 0.00 C ATOM 186 C LYS A 13 -7.802 -3.249 5.110 1.00 0.00 C ATOM 187 O LYS A 13 -7.154 -2.565 5.902 1.00 0.00 O ATOM 188 CB LYS A 13 -9.848 -2.298 4.016 1.00 0.00 C ATOM 189 CG LYS A 13 -10.014 -0.982 4.781 1.00 0.00 C ATOM 190 CD LYS A 13 -11.493 -0.579 4.777 1.00 0.00 C ATOM 191 CE LYS A 13 -12.288 -1.485 5.722 1.00 0.00 C ATOM 192 NZ LYS A 13 -13.621 -0.878 5.983 1.00 0.00 N ATOM 0 H LYS A 13 -9.141 -3.850 2.325 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.787 -1.730 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.330 -2.222 3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.346 -3.104 4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.659 -1.096 5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.411 -0.201 4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.595 0.461 5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.895 -0.652 3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.407 -2.475 5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.746 -1.617 6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.162 -1.492 6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.497 0.057 6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.137 -0.774 5.086 1.00 0.00 H new ATOM 206 N GLU A 14 -8.041 -4.539 5.305 1.00 0.00 N ATOM 207 CA GLU A 14 -7.530 -5.214 6.493 1.00 0.00 C ATOM 208 C GLU A 14 -6.008 -5.154 6.484 1.00 0.00 C ATOM 209 O GLU A 14 -5.382 -4.872 7.499 1.00 0.00 O ATOM 210 CB GLU A 14 -7.992 -6.679 6.506 1.00 0.00 C ATOM 211 CG GLU A 14 -7.526 -7.375 7.791 1.00 0.00 C ATOM 212 CD GLU A 14 -8.019 -8.820 7.800 1.00 0.00 C ATOM 213 OE1 GLU A 14 -8.897 -9.129 7.013 1.00 0.00 O ATOM 214 OE2 GLU A 14 -7.507 -9.598 8.590 1.00 0.00 O ATOM 0 H GLU A 14 -8.575 -5.131 4.669 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.913 -4.718 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.079 -6.725 6.433 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.592 -7.201 5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.438 -7.351 7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.909 -6.844 8.663 1.00 0.00 H new ATOM 221 N ALA A 15 -5.434 -5.397 5.310 1.00 0.00 N ATOM 222 CA ALA A 15 -3.985 -5.357 5.139 1.00 0.00 C ATOM 223 C ALA A 15 -3.446 -3.969 5.461 1.00 0.00 C ATOM 224 O ALA A 15 -2.439 -3.819 6.145 1.00 0.00 O ATOM 225 CB ALA A 15 -3.636 -5.704 3.685 1.00 0.00 C ATOM 0 H ALA A 15 -5.951 -5.624 4.461 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.533 -6.079 5.819 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.554 -5.675 3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.003 -6.703 3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.102 -4.980 3.016 1.00 0.00 H new ATOM 231 N PHE A 16 -4.110 -2.957 4.937 1.00 0.00 N ATOM 232 CA PHE A 16 -3.694 -1.582 5.144 1.00 0.00 C ATOM 233 C PHE A 16 -3.826 -1.115 6.604 1.00 0.00 C ATOM 234 O PHE A 16 -2.878 -0.561 7.162 1.00 0.00 O ATOM 235 CB PHE A 16 -4.519 -0.695 4.213 1.00 0.00 C ATOM 236 CG PHE A 16 -4.214 0.753 4.486 1.00 0.00 C ATOM 237 CD1 PHE A 16 -4.865 1.413 5.532 1.00 0.00 C ATOM 238 CD2 PHE A 16 -3.278 1.429 3.704 1.00 0.00 C ATOM 239 CE1 PHE A 16 -4.577 2.755 5.798 1.00 0.00 C ATOM 240 CE2 PHE A 16 -2.990 2.770 3.966 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.639 3.434 5.014 1.00 0.00 C ATOM 0 H PHE A 16 -4.945 -3.062 4.361 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.631 -1.508 4.915 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.293 -0.934 3.174 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.582 -0.886 4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.590 0.886 6.135 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.776 0.916 2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.078 3.266 6.607 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.266 3.295 3.360 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.415 4.471 5.217 1.00 0.00 H new ATOM 251 N SER A 17 -4.977 -1.347 7.241 1.00 0.00 N ATOM 252 CA SER A 17 -5.139 -0.934 8.641 1.00 0.00 C ATOM 253 C SER A 17 -4.143 -1.693 9.492 1.00 0.00 C ATOM 254 O SER A 17 -3.579 -1.174 10.450 1.00 0.00 O ATOM 255 CB SER A 17 -6.564 -1.202 9.151 1.00 0.00 C ATOM 256 OG SER A 17 -7.477 -0.340 8.481 1.00 0.00 O ATOM 0 H SER A 17 -5.789 -1.804 6.827 1.00 0.00 H new ATOM 0 HA SER A 17 -4.961 0.139 8.708 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.835 -2.243 8.976 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.614 -1.037 10.227 1.00 0.00 H new ATOM 0 HG SER A 17 -8.386 -0.511 8.804 1.00 0.00 H new ATOM 262 N LEU A 18 -3.922 -2.930 9.099 1.00 0.00 N ATOM 263 CA LEU A 18 -2.983 -3.807 9.770 1.00 0.00 C ATOM 264 C LEU A 18 -1.587 -3.199 9.700 1.00 0.00 C ATOM 265 O LEU A 18 -0.859 -3.173 10.690 1.00 0.00 O ATOM 266 CB LEU A 18 -3.055 -5.157 9.040 1.00 0.00 C ATOM 267 CG LEU A 18 -1.993 -6.156 9.502 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.160 -6.453 10.992 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.192 -7.446 8.693 1.00 0.00 C ATOM 0 H LEU A 18 -4.391 -3.358 8.301 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.220 -3.941 10.825 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.043 -5.592 9.193 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.943 -4.989 7.969 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.994 -5.748 9.346 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.398 -7.165 11.309 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.052 -5.530 11.561 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.149 -6.876 11.170 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.450 -8.184 8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.192 -7.840 8.877 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.076 -7.231 7.631 1.00 0.00 H new ATOM 281 N PHE A 19 -1.232 -2.687 8.527 1.00 0.00 N ATOM 282 CA PHE A 19 0.081 -2.065 8.341 1.00 0.00 C ATOM 283 C PHE A 19 0.232 -0.840 9.226 1.00 0.00 C ATOM 284 O PHE A 19 1.350 -0.389 9.466 1.00 0.00 O ATOM 285 CB PHE A 19 0.292 -1.663 6.871 1.00 0.00 C ATOM 286 CG PHE A 19 0.274 -2.877 5.937 1.00 0.00 C ATOM 287 CD1 PHE A 19 0.134 -4.194 6.428 1.00 0.00 C ATOM 288 CD2 PHE A 19 0.406 -2.676 4.550 1.00 0.00 C ATOM 289 CE1 PHE A 19 0.122 -5.272 5.553 1.00 0.00 C ATOM 290 CE2 PHE A 19 0.394 -3.774 3.676 1.00 0.00 C ATOM 291 CZ PHE A 19 0.249 -5.069 4.179 1.00 0.00 C ATOM 0 H PHE A 19 -1.825 -2.688 7.697 1.00 0.00 H new ATOM 0 HA PHE A 19 0.835 -2.800 8.622 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.488 -0.963 6.571 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.244 -1.142 6.770 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.036 -4.363 7.490 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.517 -1.676 4.158 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.014 -6.275 5.939 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.497 -3.617 2.612 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.235 -5.912 3.505 1.00 0.00 H new ATOM 301 N ASP A 20 -0.885 -0.302 9.694 1.00 0.00 N ATOM 302 CA ASP A 20 -0.853 0.890 10.545 1.00 0.00 C ATOM 303 C ASP A 20 -0.654 0.523 12.016 1.00 0.00 C ATOM 304 O ASP A 20 -1.614 0.203 12.721 1.00 0.00 O ATOM 305 CB ASP A 20 -2.157 1.673 10.382 1.00 0.00 C ATOM 306 CG ASP A 20 -2.308 2.134 8.938 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.544 2.989 8.527 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.194 1.630 8.265 1.00 0.00 O ATOM 0 H ASP A 20 -1.819 -0.664 9.504 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.009 1.505 10.233 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.004 1.048 10.664 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.160 2.534 11.050 1.00 0.00 H new ATOM 313 N LYS A 21 0.600 0.556 12.475 1.00 0.00 N ATOM 314 CA LYS A 21 0.904 0.207 13.866 1.00 0.00 C ATOM 315 C LYS A 21 0.519 1.336 14.820 1.00 0.00 C ATOM 316 O LYS A 21 0.359 1.112 16.021 1.00 0.00 O ATOM 317 CB LYS A 21 2.398 -0.094 14.036 1.00 0.00 C ATOM 318 CG LYS A 21 2.796 -1.297 13.173 1.00 0.00 C ATOM 319 CD LYS A 21 4.231 -1.721 13.516 1.00 0.00 C ATOM 320 CE LYS A 21 5.215 -0.642 13.050 1.00 0.00 C ATOM 321 NZ LYS A 21 6.597 -1.196 13.022 1.00 0.00 N ATOM 0 H LYS A 21 1.411 0.817 11.914 1.00 0.00 H new ATOM 0 HA LYS A 21 0.319 -0.680 14.108 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.987 0.778 13.751 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.618 -0.300 15.084 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.109 -2.126 13.347 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.724 -1.040 12.116 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.328 -1.875 14.591 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.464 -2.671 13.036 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.936 -0.287 12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.171 0.217 13.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.245 -0.537 13.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.613 -2.113 13.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.899 -1.325 12.035 1.00 0.00 H new ATOM 335 N ASP A 22 0.392 2.549 14.291 1.00 0.00 N ATOM 336 CA ASP A 22 0.048 3.708 15.119 1.00 0.00 C ATOM 337 C ASP A 22 -1.359 4.210 14.813 1.00 0.00 C ATOM 338 O ASP A 22 -1.816 5.192 15.398 1.00 0.00 O ATOM 339 CB ASP A 22 1.055 4.828 14.864 1.00 0.00 C ATOM 340 CG ASP A 22 1.099 5.163 13.379 1.00 0.00 C ATOM 341 OD1 ASP A 22 0.212 4.723 12.670 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.020 5.853 12.975 1.00 0.00 O ATOM 0 H ASP A 22 0.520 2.758 13.301 1.00 0.00 H new ATOM 0 HA ASP A 22 0.080 3.404 16.165 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.779 5.713 15.437 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.044 4.523 15.206 1.00 0.00 H new ATOM 347 N GLY A 23 -2.041 3.534 13.896 1.00 0.00 N ATOM 348 CA GLY A 23 -3.397 3.927 13.523 1.00 0.00 C ATOM 349 C GLY A 23 -3.477 5.431 13.273 1.00 0.00 C ATOM 350 O GLY A 23 -4.439 6.084 13.678 1.00 0.00 O ATOM 0 H GLY A 23 -1.683 2.718 13.400 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.703 3.388 12.626 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.092 3.648 14.315 1.00 0.00 H new ATOM 354 N ASP A 24 -2.454 5.976 12.614 1.00 0.00 N ATOM 355 CA ASP A 24 -2.411 7.410 12.325 1.00 0.00 C ATOM 356 C ASP A 24 -3.238 7.747 11.094 1.00 0.00 C ATOM 357 O ASP A 24 -3.369 8.915 10.724 1.00 0.00 O ATOM 358 CB ASP A 24 -0.965 7.857 12.100 1.00 0.00 C ATOM 359 CG ASP A 24 -0.306 7.000 11.024 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.015 6.249 10.376 1.00 0.00 O ATOM 361 OD2 ASP A 24 0.901 7.105 10.863 1.00 0.00 O ATOM 0 H ASP A 24 -1.649 5.451 12.272 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.831 7.936 13.182 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.944 8.905 11.803 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.404 7.778 13.031 1.00 0.00 H new ATOM 366 N GLY A 25 -3.802 6.725 10.464 1.00 0.00 N ATOM 367 CA GLY A 25 -4.620 6.933 9.275 1.00 0.00 C ATOM 368 C GLY A 25 -3.764 6.930 8.013 1.00 0.00 C ATOM 369 O GLY A 25 -4.291 6.933 6.902 1.00 0.00 O ATOM 0 H GLY A 25 -3.710 5.751 10.753 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.375 6.150 9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.151 7.882 9.356 1.00 0.00 H new ATOM 373 N CYS A 26 -2.437 6.915 8.184 1.00 0.00 N ATOM 374 CA CYS A 26 -1.528 6.897 7.037 1.00 0.00 C ATOM 375 C CYS A 26 -0.306 6.028 7.319 1.00 0.00 C ATOM 376 O CYS A 26 0.251 6.062 8.415 1.00 0.00 O ATOM 377 CB CYS A 26 -1.080 8.326 6.689 1.00 0.00 C ATOM 378 SG CYS A 26 -2.417 9.488 7.056 1.00 0.00 S ATOM 0 H CYS A 26 -1.975 6.915 9.094 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.066 6.472 6.190 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.190 8.588 7.261 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.811 8.387 5.634 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.035 10.696 6.763 1.00 0.00 H new ATOM 384 N ILE A 27 0.123 5.267 6.313 1.00 0.00 N ATOM 385 CA ILE A 27 1.297 4.409 6.452 1.00 0.00 C ATOM 386 C ILE A 27 2.487 5.156 5.887 1.00 0.00 C ATOM 387 O ILE A 27 2.437 5.632 4.753 1.00 0.00 O ATOM 388 CB ILE A 27 1.112 3.104 5.652 1.00 0.00 C ATOM 389 CG1 ILE A 27 -0.156 2.378 6.107 1.00 0.00 C ATOM 390 CG2 ILE A 27 2.312 2.167 5.868 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.504 1.284 5.092 1.00 0.00 C ATOM 0 H ILE A 27 -0.323 5.228 5.397 1.00 0.00 H new ATOM 0 HA ILE A 27 1.444 4.160 7.503 1.00 0.00 H new ATOM 0 HB ILE A 27 1.033 3.366 4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.004 1.940 7.094 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.982 3.084 6.195 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.166 1.251 5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.224 2.661 5.534 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.398 1.924 6.927 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.407 0.764 5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.673 1.735 4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.320 0.573 5.026 1.00 0.00 H new ATOM 403 N THR A 28 3.563 5.253 6.649 1.00 0.00 N ATOM 404 CA THR A 28 4.741 5.934 6.148 1.00 0.00 C ATOM 405 C THR A 28 5.567 4.915 5.366 1.00 0.00 C ATOM 406 O THR A 28 5.035 3.898 4.931 1.00 0.00 O ATOM 407 CB THR A 28 5.541 6.555 7.304 1.00 0.00 C ATOM 408 OG1 THR A 28 6.061 5.524 8.130 1.00 0.00 O ATOM 409 CG2 THR A 28 4.624 7.462 8.136 1.00 0.00 C ATOM 0 H THR A 28 3.645 4.878 7.594 1.00 0.00 H new ATOM 0 HA THR A 28 4.461 6.757 5.490 1.00 0.00 H new ATOM 0 HB THR A 28 6.363 7.145 6.898 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.572 5.921 8.866 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.193 7.901 8.955 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.226 8.256 7.504 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.800 6.874 8.541 1.00 0.00 H new ATOM 417 N THR A 29 6.849 5.173 5.170 1.00 0.00 N ATOM 418 CA THR A 29 7.702 4.231 4.433 1.00 0.00 C ATOM 419 C THR A 29 8.271 3.165 5.371 1.00 0.00 C ATOM 420 O THR A 29 8.513 2.027 4.968 1.00 0.00 O ATOM 421 CB THR A 29 8.834 4.993 3.745 1.00 0.00 C ATOM 422 OG1 THR A 29 9.448 5.859 4.685 1.00 0.00 O ATOM 423 CG2 THR A 29 8.255 5.813 2.589 1.00 0.00 C ATOM 0 H THR A 29 7.325 6.012 5.502 1.00 0.00 H new ATOM 0 HA THR A 29 7.098 3.728 3.678 1.00 0.00 H new ATOM 0 HB THR A 29 9.575 4.293 3.358 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.176 6.350 4.250 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.057 6.360 2.093 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.775 5.145 1.874 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.520 6.519 2.976 1.00 0.00 H new ATOM 431 N LYS A 30 8.493 3.552 6.624 1.00 0.00 N ATOM 432 CA LYS A 30 9.039 2.635 7.621 1.00 0.00 C ATOM 433 C LYS A 30 8.040 1.534 7.931 1.00 0.00 C ATOM 434 O LYS A 30 8.374 0.347 7.934 1.00 0.00 O ATOM 435 CB LYS A 30 9.367 3.400 8.909 1.00 0.00 C ATOM 436 CG LYS A 30 10.313 2.561 9.793 1.00 0.00 C ATOM 437 CD LYS A 30 11.767 2.860 9.407 1.00 0.00 C ATOM 438 CE LYS A 30 12.719 2.021 10.258 1.00 0.00 C ATOM 439 NZ LYS A 30 12.689 2.496 11.671 1.00 0.00 N ATOM 0 H LYS A 30 8.304 4.492 6.973 1.00 0.00 H new ATOM 0 HA LYS A 30 9.948 2.188 7.219 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.834 4.355 8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.449 3.623 9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.149 2.795 10.845 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.102 1.499 9.666 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.923 2.642 8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.978 3.920 9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.432 0.971 10.212 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.732 2.092 9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.476 2.067 12.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.783 3.532 11.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.787 2.222 12.110 1.00 0.00 H new ATOM 453 N GLU A 31 6.801 1.943 8.150 1.00 0.00 N ATOM 454 CA GLU A 31 5.723 1.012 8.428 1.00 0.00 C ATOM 455 C GLU A 31 5.523 0.116 7.220 1.00 0.00 C ATOM 456 O GLU A 31 5.456 -1.111 7.333 1.00 0.00 O ATOM 457 CB GLU A 31 4.451 1.811 8.701 1.00 0.00 C ATOM 458 CG GLU A 31 4.597 2.571 10.024 1.00 0.00 C ATOM 459 CD GLU A 31 3.404 3.496 10.233 1.00 0.00 C ATOM 460 OE1 GLU A 31 2.997 4.130 9.274 1.00 0.00 O ATOM 461 OE2 GLU A 31 2.913 3.554 11.348 1.00 0.00 O ATOM 0 H GLU A 31 6.517 2.923 8.140 1.00 0.00 H new ATOM 0 HA GLU A 31 5.961 0.396 9.295 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.267 2.511 7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.592 1.142 8.747 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.669 1.865 10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.520 3.151 10.019 1.00 0.00 H new ATOM 468 N LEU A 32 5.476 0.748 6.059 1.00 0.00 N ATOM 469 CA LEU A 32 5.339 0.021 4.818 1.00 0.00 C ATOM 470 C LEU A 32 6.581 -0.839 4.656 1.00 0.00 C ATOM 471 O LEU A 32 6.502 -2.014 4.299 1.00 0.00 O ATOM 472 CB LEU A 32 5.179 1.009 3.649 1.00 0.00 C ATOM 473 CG LEU A 32 5.136 0.261 2.300 1.00 0.00 C ATOM 474 CD1 LEU A 32 3.996 -0.769 2.318 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.907 1.251 1.138 1.00 0.00 C ATOM 0 H LEU A 32 5.531 1.761 5.955 1.00 0.00 H new ATOM 0 HA LEU A 32 4.453 -0.614 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.264 1.587 3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.007 1.718 3.650 1.00 0.00 H new ATOM 0 HG LEU A 32 6.091 -0.244 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.967 -1.296 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.164 -1.484 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.047 -0.258 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.880 0.705 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.960 1.771 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.719 1.977 1.113 1.00 0.00 H new ATOM 487 N GLY A 33 7.726 -0.247 4.967 1.00 0.00 N ATOM 488 CA GLY A 33 8.974 -0.972 4.888 1.00 0.00 C ATOM 489 C GLY A 33 8.947 -2.171 5.831 1.00 0.00 C ATOM 490 O GLY A 33 9.293 -3.281 5.430 1.00 0.00 O ATOM 0 H GLY A 33 7.811 0.723 5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.144 -1.308 3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.803 -0.314 5.149 1.00 0.00 H new ATOM 494 N THR A 34 8.507 -1.955 7.076 1.00 0.00 N ATOM 495 CA THR A 34 8.432 -3.057 8.043 1.00 0.00 C ATOM 496 C THR A 34 7.727 -4.225 7.380 1.00 0.00 C ATOM 497 O THR A 34 8.158 -5.378 7.448 1.00 0.00 O ATOM 498 CB THR A 34 7.613 -2.608 9.264 1.00 0.00 C ATOM 499 OG1 THR A 34 8.122 -1.376 9.756 1.00 0.00 O ATOM 500 CG2 THR A 34 7.672 -3.666 10.372 1.00 0.00 C ATOM 0 H THR A 34 8.204 -1.049 7.433 1.00 0.00 H new ATOM 0 HA THR A 34 9.434 -3.346 8.362 1.00 0.00 H new ATOM 0 HB THR A 34 6.575 -2.479 8.957 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.844 -0.647 9.163 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.086 -3.330 11.228 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.264 -4.606 10.000 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.708 -3.816 10.677 1.00 0.00 H new ATOM 508 N VAL A 35 6.620 -3.885 6.768 1.00 0.00 N ATOM 509 CA VAL A 35 5.787 -4.850 6.083 1.00 0.00 C ATOM 510 C VAL A 35 6.492 -5.428 4.854 1.00 0.00 C ATOM 511 O VAL A 35 6.567 -6.646 4.687 1.00 0.00 O ATOM 512 CB VAL A 35 4.485 -4.147 5.698 1.00 0.00 C ATOM 513 CG1 VAL A 35 3.651 -5.012 4.764 1.00 0.00 C ATOM 514 CG2 VAL A 35 3.701 -3.847 6.977 1.00 0.00 C ATOM 0 H VAL A 35 6.267 -2.929 6.729 1.00 0.00 H new ATOM 0 HA VAL A 35 5.579 -5.695 6.739 1.00 0.00 H new ATOM 0 HB VAL A 35 4.717 -3.222 5.171 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.731 -4.487 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.218 -5.218 3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.406 -5.951 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.768 -3.345 6.722 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.481 -4.780 7.496 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.295 -3.202 7.625 1.00 0.00 H new ATOM 524 N MET A 36 7.026 -4.564 4.000 1.00 0.00 N ATOM 525 CA MET A 36 7.717 -5.036 2.802 1.00 0.00 C ATOM 526 C MET A 36 8.935 -5.858 3.204 1.00 0.00 C ATOM 527 O MET A 36 9.206 -6.930 2.655 1.00 0.00 O ATOM 528 CB MET A 36 8.140 -3.823 1.965 1.00 0.00 C ATOM 529 CG MET A 36 6.915 -3.242 1.242 1.00 0.00 C ATOM 530 SD MET A 36 6.338 -4.401 -0.025 1.00 0.00 S ATOM 531 CE MET A 36 7.469 -3.884 -1.341 1.00 0.00 C ATOM 0 H MET A 36 6.997 -3.550 4.109 1.00 0.00 H new ATOM 0 HA MET A 36 7.054 -5.668 2.211 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.589 -3.065 2.606 1.00 0.00 H new ATOM 0 HB3 MET A 36 8.898 -4.116 1.239 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.117 -3.047 1.959 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.172 -2.287 0.784 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.309 -4.504 -2.223 1.00 0.00 H new ATOM 0 HE2 MET A 36 7.282 -2.840 -1.592 1.00 0.00 H new ATOM 0 HE3 MET A 36 8.498 -3.996 -1.001 1.00 0.00 H new ATOM 541 N ARG A 37 9.652 -5.347 4.199 1.00 0.00 N ATOM 542 CA ARG A 37 10.846 -6.007 4.733 1.00 0.00 C ATOM 543 C ARG A 37 10.517 -7.417 5.178 1.00 0.00 C ATOM 544 O ARG A 37 11.180 -8.383 4.800 1.00 0.00 O ATOM 545 CB ARG A 37 11.316 -5.227 5.974 1.00 0.00 C ATOM 546 CG ARG A 37 12.617 -5.811 6.541 1.00 0.00 C ATOM 547 CD ARG A 37 13.084 -4.939 7.713 1.00 0.00 C ATOM 548 NE ARG A 37 12.108 -4.994 8.798 1.00 0.00 N ATOM 549 CZ ARG A 37 12.228 -4.227 9.881 1.00 0.00 C ATOM 550 NH1 ARG A 37 13.220 -3.387 9.982 1.00 0.00 N ATOM 551 NH2 ARG A 37 11.347 -4.312 10.840 1.00 0.00 N ATOM 0 H ARG A 37 9.426 -4.466 4.660 1.00 0.00 H new ATOM 0 HA ARG A 37 11.612 -6.035 3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.469 -4.180 5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.539 -5.254 6.738 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.456 -6.836 6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.384 -5.844 5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.055 -5.284 8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.213 -3.909 7.381 1.00 0.00 H new ATOM 0 HE ARG A 37 11.317 -5.634 8.725 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.906 -3.316 9.231 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.310 -2.801 10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.568 -4.965 10.760 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.438 -3.725 11.669 1.00 0.00 H new ATOM 565 N SER A 38 9.490 -7.499 5.999 1.00 0.00 N ATOM 566 CA SER A 38 9.038 -8.772 6.543 1.00 0.00 C ATOM 567 C SER A 38 8.475 -9.685 5.459 1.00 0.00 C ATOM 568 O SER A 38 8.389 -10.900 5.644 1.00 0.00 O ATOM 569 CB SER A 38 7.955 -8.527 7.594 1.00 0.00 C ATOM 570 OG SER A 38 7.613 -9.759 8.212 1.00 0.00 O ATOM 0 H SER A 38 8.946 -6.694 6.309 1.00 0.00 H new ATOM 0 HA SER A 38 9.902 -9.263 6.990 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.311 -7.819 8.342 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.075 -8.084 7.129 1.00 0.00 H new ATOM 0 HG SER A 38 7.695 -10.486 7.560 1.00 0.00 H new ATOM 576 N LEU A 39 8.072 -9.095 4.340 1.00 0.00 N ATOM 577 CA LEU A 39 7.487 -9.860 3.239 1.00 0.00 C ATOM 578 C LEU A 39 8.569 -10.453 2.326 1.00 0.00 C ATOM 579 O LEU A 39 8.341 -10.642 1.133 1.00 0.00 O ATOM 580 CB LEU A 39 6.534 -8.959 2.431 1.00 0.00 C ATOM 581 CG LEU A 39 5.179 -8.787 3.164 1.00 0.00 C ATOM 582 CD1 LEU A 39 4.388 -7.628 2.537 1.00 0.00 C ATOM 583 CD2 LEU A 39 4.329 -10.071 3.073 1.00 0.00 C ATOM 0 H LEU A 39 8.138 -8.092 4.169 1.00 0.00 H new ATOM 0 HA LEU A 39 6.926 -10.693 3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.994 -7.983 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.366 -9.393 1.445 1.00 0.00 H new ATOM 0 HG LEU A 39 5.393 -8.576 4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.437 -7.513 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.963 -6.706 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.202 -7.842 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.385 -9.920 3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.131 -10.303 2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.870 -10.899 3.532 1.00 0.00 H new ATOM 595 N GLY A 40 9.733 -10.774 2.894 1.00 0.00 N ATOM 596 CA GLY A 40 10.808 -11.372 2.109 1.00 0.00 C ATOM 597 C GLY A 40 11.244 -10.469 0.966 1.00 0.00 C ATOM 598 O GLY A 40 11.406 -10.922 -0.169 1.00 0.00 O ATOM 0 H GLY A 40 9.951 -10.632 3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.661 -11.576 2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.476 -12.330 1.709 1.00 0.00 H new ATOM 602 N GLN A 41 11.429 -9.192 1.267 1.00 0.00 N ATOM 603 CA GLN A 41 11.854 -8.218 0.264 1.00 0.00 C ATOM 604 C GLN A 41 12.846 -7.247 0.899 1.00 0.00 C ATOM 605 O GLN A 41 12.792 -7.002 2.104 1.00 0.00 O ATOM 606 CB GLN A 41 10.639 -7.450 -0.264 1.00 0.00 C ATOM 607 CG GLN A 41 9.708 -8.396 -1.025 1.00 0.00 C ATOM 608 CD GLN A 41 8.458 -7.641 -1.453 1.00 0.00 C ATOM 609 OE1 GLN A 41 8.349 -6.438 -1.217 1.00 0.00 O ATOM 610 NE2 GLN A 41 7.504 -8.278 -2.069 1.00 0.00 N ATOM 0 H GLN A 41 11.292 -8.802 2.200 1.00 0.00 H new ATOM 0 HA GLN A 41 12.331 -8.736 -0.568 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.103 -6.989 0.565 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.966 -6.644 -0.920 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.218 -8.801 -1.899 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.437 -9.242 -0.394 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.599 -9.275 -2.263 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.662 -7.780 -2.358 1.00 0.00 H new ATOM 619 N ASN A 42 13.761 -6.700 0.095 1.00 0.00 N ATOM 620 CA ASN A 42 14.770 -5.761 0.610 1.00 0.00 C ATOM 621 C ASN A 42 14.913 -4.546 -0.304 1.00 0.00 C ATOM 622 O ASN A 42 15.944 -4.374 -0.955 1.00 0.00 O ATOM 623 CB ASN A 42 16.131 -6.459 0.712 1.00 0.00 C ATOM 624 CG ASN A 42 17.161 -5.507 1.317 1.00 0.00 C ATOM 625 OD1 ASN A 42 16.885 -4.844 2.316 1.00 0.00 O ATOM 626 ND2 ASN A 42 18.342 -5.400 0.767 1.00 0.00 N ATOM 0 H ASN A 42 13.827 -6.886 -0.906 1.00 0.00 H new ATOM 0 HA ASN A 42 14.440 -5.429 1.594 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.045 -7.354 1.328 1.00 0.00 H new ATOM 0 HB3 ASN A 42 16.458 -6.782 -0.276 1.00 0.00 H new ATOM 0 HD21 ASN A 42 19.035 -4.767 1.166 1.00 0.00 H new ATOM 0 HD22 ASN A 42 18.571 -5.950 -0.061 1.00 0.00 H new ATOM 633 N PRO A 43 13.917 -3.700 -0.366 1.00 0.00 N ATOM 634 CA PRO A 43 13.968 -2.479 -1.222 1.00 0.00 C ATOM 635 C PRO A 43 14.869 -1.408 -0.627 1.00 0.00 C ATOM 636 O PRO A 43 14.970 -1.281 0.592 1.00 0.00 O ATOM 637 CB PRO A 43 12.509 -2.008 -1.242 1.00 0.00 C ATOM 638 CG PRO A 43 11.980 -2.434 0.081 1.00 0.00 C ATOM 639 CD PRO A 43 12.634 -3.788 0.363 1.00 0.00 C ATOM 0 HA PRO A 43 14.377 -2.680 -2.212 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.439 -0.928 -1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.953 -2.464 -2.061 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.229 -1.709 0.856 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.894 -2.519 0.061 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.787 -3.947 1.430 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.021 -4.614 0.002 1.00 0.00 H new ATOM 647 N THR A 44 15.470 -0.598 -1.486 1.00 0.00 N ATOM 648 CA THR A 44 16.299 0.495 -1.015 1.00 0.00 C ATOM 649 C THR A 44 15.404 1.699 -0.783 1.00 0.00 C ATOM 650 O THR A 44 14.249 1.699 -1.194 1.00 0.00 O ATOM 651 CB THR A 44 17.395 0.822 -2.033 1.00 0.00 C ATOM 652 OG1 THR A 44 16.842 0.842 -3.336 1.00 0.00 O ATOM 653 CG2 THR A 44 18.497 -0.238 -1.958 1.00 0.00 C ATOM 0 H THR A 44 15.399 -0.677 -2.500 1.00 0.00 H new ATOM 0 HA THR A 44 16.794 0.214 -0.085 1.00 0.00 H new ATOM 0 HB THR A 44 17.819 1.800 -1.806 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.544 1.053 -3.986 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.277 -0.004 -2.683 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.925 -0.248 -0.956 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.075 -1.218 -2.182 1.00 0.00 H new ATOM 661 N GLU A 45 15.923 2.705 -0.107 1.00 0.00 N ATOM 662 CA GLU A 45 15.130 3.885 0.190 1.00 0.00 C ATOM 663 C GLU A 45 14.634 4.571 -1.080 1.00 0.00 C ATOM 664 O GLU A 45 13.507 5.063 -1.120 1.00 0.00 O ATOM 665 CB GLU A 45 15.950 4.857 1.026 1.00 0.00 C ATOM 666 CG GLU A 45 16.200 4.245 2.403 1.00 0.00 C ATOM 667 CD GLU A 45 17.059 5.187 3.233 1.00 0.00 C ATOM 668 OE1 GLU A 45 17.333 6.279 2.757 1.00 0.00 O ATOM 669 OE2 GLU A 45 17.438 4.806 4.326 1.00 0.00 O ATOM 0 H GLU A 45 16.880 2.731 0.245 1.00 0.00 H new ATOM 0 HA GLU A 45 14.252 3.567 0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.898 5.071 0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.422 5.805 1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.252 4.062 2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.697 3.281 2.298 1.00 0.00 H new ATOM 676 N ALA A 46 15.455 4.594 -2.125 1.00 0.00 N ATOM 677 CA ALA A 46 15.042 5.221 -3.377 1.00 0.00 C ATOM 678 C ALA A 46 13.755 4.582 -3.858 1.00 0.00 C ATOM 679 O ALA A 46 12.811 5.262 -4.257 1.00 0.00 O ATOM 680 CB ALA A 46 16.116 5.018 -4.446 1.00 0.00 C ATOM 0 H ALA A 46 16.393 4.194 -2.133 1.00 0.00 H new ATOM 0 HA ALA A 46 14.895 6.287 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.798 5.490 -5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.051 5.468 -4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.266 3.951 -4.613 1.00 0.00 H new ATOM 686 N GLU A 47 13.751 3.260 -3.840 1.00 0.00 N ATOM 687 CA GLU A 47 12.614 2.486 -4.289 1.00 0.00 C ATOM 688 C GLU A 47 11.373 2.791 -3.449 1.00 0.00 C ATOM 689 O GLU A 47 10.292 3.005 -3.990 1.00 0.00 O ATOM 690 CB GLU A 47 12.997 1.006 -4.200 1.00 0.00 C ATOM 691 CG GLU A 47 14.132 0.740 -5.200 1.00 0.00 C ATOM 692 CD GLU A 47 13.627 0.856 -6.635 1.00 0.00 C ATOM 693 OE1 GLU A 47 12.428 0.749 -6.833 1.00 0.00 O ATOM 694 OE2 GLU A 47 14.448 1.048 -7.518 1.00 0.00 O ATOM 0 H GLU A 47 14.536 2.697 -3.514 1.00 0.00 H new ATOM 0 HA GLU A 47 12.363 2.746 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.316 0.757 -3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.136 0.377 -4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.942 1.451 -5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.544 -0.256 -5.034 1.00 0.00 H new ATOM 701 N LEU A 48 11.533 2.813 -2.127 1.00 0.00 N ATOM 702 CA LEU A 48 10.409 3.092 -1.227 1.00 0.00 C ATOM 703 C LEU A 48 9.850 4.490 -1.449 1.00 0.00 C ATOM 704 O LEU A 48 8.646 4.675 -1.612 1.00 0.00 O ATOM 705 CB LEU A 48 10.884 3.011 0.217 1.00 0.00 C ATOM 706 CG LEU A 48 11.397 1.612 0.512 1.00 0.00 C ATOM 707 CD1 LEU A 48 11.951 1.585 1.941 1.00 0.00 C ATOM 708 CD2 LEU A 48 10.266 0.580 0.347 1.00 0.00 C ATOM 0 H LEU A 48 12.421 2.643 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 48 9.633 2.355 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.673 3.742 0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.066 3.258 0.893 1.00 0.00 H new ATOM 0 HG LEU A 48 12.189 1.352 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.324 0.586 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.765 2.305 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.159 1.845 2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.649 -0.417 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.456 0.814 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.891 0.612 -0.676 1.00 0.00 H new ATOM 720 N GLN A 49 10.747 5.465 -1.473 1.00 0.00 N ATOM 721 CA GLN A 49 10.353 6.853 -1.688 1.00 0.00 C ATOM 722 C GLN A 49 9.704 6.982 -3.051 1.00 0.00 C ATOM 723 O GLN A 49 8.730 7.699 -3.234 1.00 0.00 O ATOM 724 CB GLN A 49 11.593 7.748 -1.628 1.00 0.00 C ATOM 725 CG GLN A 49 11.196 9.211 -1.826 1.00 0.00 C ATOM 726 CD GLN A 49 12.435 10.091 -1.705 1.00 0.00 C ATOM 727 OE1 GLN A 49 13.471 9.786 -2.294 1.00 0.00 O ATOM 728 NE2 GLN A 49 12.396 11.165 -0.966 1.00 0.00 N ATOM 0 H GLN A 49 11.749 5.323 -1.347 1.00 0.00 H new ATOM 0 HA GLN A 49 9.647 7.158 -0.916 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.093 7.626 -0.667 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.304 7.449 -2.398 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.735 9.345 -2.804 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.455 9.502 -1.082 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.537 11.417 -0.478 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.225 11.753 -0.876 1.00 0.00 H new ATOM 737 N ASP A 50 10.267 6.273 -4.011 1.00 0.00 N ATOM 738 CA ASP A 50 9.767 6.281 -5.363 1.00 0.00 C ATOM 739 C ASP A 50 8.451 5.520 -5.451 1.00 0.00 C ATOM 740 O ASP A 50 7.573 5.858 -6.247 1.00 0.00 O ATOM 741 CB ASP A 50 10.821 5.646 -6.263 1.00 0.00 C ATOM 742 CG ASP A 50 12.013 6.591 -6.402 1.00 0.00 C ATOM 743 OD1 ASP A 50 11.899 7.724 -5.963 1.00 0.00 O ATOM 744 OD2 ASP A 50 13.024 6.169 -6.943 1.00 0.00 O ATOM 0 H ASP A 50 11.083 5.677 -3.871 1.00 0.00 H new ATOM 0 HA ASP A 50 9.574 7.304 -5.685 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.146 4.694 -5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.396 5.434 -7.244 1.00 0.00 H new ATOM 749 N MET A 51 8.318 4.493 -4.621 1.00 0.00 N ATOM 750 CA MET A 51 7.101 3.696 -4.602 1.00 0.00 C ATOM 751 C MET A 51 5.933 4.525 -4.087 1.00 0.00 C ATOM 752 O MET A 51 4.844 4.516 -4.667 1.00 0.00 O ATOM 753 CB MET A 51 7.310 2.480 -3.680 1.00 0.00 C ATOM 754 CG MET A 51 7.981 1.337 -4.456 1.00 0.00 C ATOM 755 SD MET A 51 6.722 0.451 -5.413 1.00 0.00 S ATOM 756 CE MET A 51 7.119 -1.224 -4.853 1.00 0.00 C ATOM 0 H MET A 51 9.033 4.195 -3.957 1.00 0.00 H new ATOM 0 HA MET A 51 6.876 3.364 -5.615 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.928 2.762 -2.827 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.351 2.146 -3.283 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.749 1.734 -5.121 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.478 0.655 -3.766 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.447 -1.937 -5.332 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.149 -1.462 -5.118 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.000 -1.284 -3.771 1.00 0.00 H new ATOM 766 N ILE A 52 6.195 5.235 -3.002 1.00 0.00 N ATOM 767 CA ILE A 52 5.200 6.089 -2.377 1.00 0.00 C ATOM 768 C ILE A 52 5.000 7.376 -3.184 1.00 0.00 C ATOM 769 O ILE A 52 3.879 7.852 -3.343 1.00 0.00 O ATOM 770 CB ILE A 52 5.659 6.398 -0.926 1.00 0.00 C ATOM 771 CG1 ILE A 52 4.444 6.498 -0.005 1.00 0.00 C ATOM 772 CG2 ILE A 52 6.436 7.721 -0.848 1.00 0.00 C ATOM 773 CD1 ILE A 52 4.908 6.691 1.435 1.00 0.00 C ATOM 0 H ILE A 52 7.100 5.235 -2.532 1.00 0.00 H new ATOM 0 HA ILE A 52 4.237 5.578 -2.351 1.00 0.00 H new ATOM 0 HB ILE A 52 6.313 5.585 -0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.812 7.333 -0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.839 5.595 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.741 7.904 0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.320 7.662 -1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.799 8.538 -1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.040 6.762 2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.522 5.842 1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.494 7.607 1.509 1.00 0.00 H new ATOM 785 N ASN A 53 6.112 7.938 -3.655 1.00 0.00 N ATOM 786 CA ASN A 53 6.095 9.193 -4.406 1.00 0.00 C ATOM 787 C ASN A 53 5.373 9.077 -5.753 1.00 0.00 C ATOM 788 O ASN A 53 4.629 9.980 -6.133 1.00 0.00 O ATOM 789 CB ASN A 53 7.531 9.674 -4.619 1.00 0.00 C ATOM 790 CG ASN A 53 7.543 10.949 -5.450 1.00 0.00 C ATOM 791 OD1 ASN A 53 7.525 10.890 -6.677 1.00 0.00 O ATOM 792 ND2 ASN A 53 7.573 12.107 -4.849 1.00 0.00 N ATOM 0 H ASN A 53 7.043 7.541 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 53 5.534 9.917 -3.816 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.008 9.855 -3.656 1.00 0.00 H new ATOM 0 HB3 ASN A 53 8.111 8.899 -5.121 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.582 12.967 -5.398 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.588 12.153 -3.830 1.00 0.00 H new ATOM 799 N GLU A 54 5.593 7.986 -6.480 1.00 0.00 N ATOM 800 CA GLU A 54 4.954 7.804 -7.788 1.00 0.00 C ATOM 801 C GLU A 54 3.464 7.547 -7.606 1.00 0.00 C ATOM 802 O GLU A 54 2.678 7.562 -8.555 1.00 0.00 O ATOM 803 CB GLU A 54 5.630 6.627 -8.504 1.00 0.00 C ATOM 804 CG GLU A 54 5.152 5.293 -7.922 1.00 0.00 C ATOM 805 CD GLU A 54 6.017 4.155 -8.451 1.00 0.00 C ATOM 806 OE1 GLU A 54 7.226 4.315 -8.474 1.00 0.00 O ATOM 807 OE2 GLU A 54 5.458 3.136 -8.830 1.00 0.00 O ATOM 0 H GLU A 54 6.202 7.219 -6.194 1.00 0.00 H new ATOM 0 HA GLU A 54 5.067 8.704 -8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.405 6.666 -9.570 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.712 6.707 -8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.201 5.323 -6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.109 5.123 -8.189 1.00 0.00 H new ATOM 814 N VAL A 55 3.100 7.299 -6.357 1.00 0.00 N ATOM 815 CA VAL A 55 1.722 7.025 -5.975 1.00 0.00 C ATOM 816 C VAL A 55 1.175 8.186 -5.167 1.00 0.00 C ATOM 817 O VAL A 55 -0.025 8.271 -4.930 1.00 0.00 O ATOM 818 CB VAL A 55 1.710 5.768 -5.106 1.00 0.00 C ATOM 819 CG1 VAL A 55 0.350 5.602 -4.419 1.00 0.00 C ATOM 820 CG2 VAL A 55 2.008 4.545 -5.974 1.00 0.00 C ATOM 0 H VAL A 55 3.755 7.282 -5.575 1.00 0.00 H new ATOM 0 HA VAL A 55 1.109 6.886 -6.865 1.00 0.00 H new ATOM 0 HB VAL A 55 2.476 5.864 -4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.360 4.702 -3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.152 6.469 -3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.431 5.517 -5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.000 3.648 -5.354 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.249 4.456 -6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.989 4.657 -6.436 1.00 0.00 H new ATOM 830 N ASP A 56 2.074 9.041 -4.718 1.00 0.00 N ATOM 831 CA ASP A 56 1.698 10.173 -3.901 1.00 0.00 C ATOM 832 C ASP A 56 0.849 11.158 -4.701 1.00 0.00 C ATOM 833 O ASP A 56 1.024 12.367 -4.606 1.00 0.00 O ATOM 834 CB ASP A 56 2.986 10.807 -3.361 1.00 0.00 C ATOM 835 CG ASP A 56 2.715 12.020 -2.477 1.00 0.00 C ATOM 836 OD1 ASP A 56 1.598 12.162 -2.018 1.00 0.00 O ATOM 837 OD2 ASP A 56 3.650 12.780 -2.262 1.00 0.00 O ATOM 0 H ASP A 56 3.074 8.970 -4.908 1.00 0.00 H new ATOM 0 HA ASP A 56 1.078 9.859 -3.061 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.542 10.063 -2.790 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.618 11.105 -4.197 1.00 0.00 H new ATOM 842 N ALA A 57 -0.099 10.620 -5.482 1.00 0.00 N ATOM 843 CA ALA A 57 -0.989 11.455 -6.290 1.00 0.00 C ATOM 844 C ALA A 57 -1.609 12.555 -5.429 1.00 0.00 C ATOM 845 O ALA A 57 -1.950 13.628 -5.924 1.00 0.00 O ATOM 846 CB ALA A 57 -2.115 10.597 -6.872 1.00 0.00 C ATOM 0 H ALA A 57 -0.266 9.617 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.406 11.905 -7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.775 11.222 -7.473 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.689 9.813 -7.498 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.684 10.144 -6.060 1.00 0.00 H new ATOM 852 N ASP A 58 -1.757 12.257 -4.141 1.00 0.00 N ATOM 853 CA ASP A 58 -2.339 13.201 -3.185 1.00 0.00 C ATOM 854 C ASP A 58 -1.333 14.272 -2.776 1.00 0.00 C ATOM 855 O ASP A 58 -1.693 15.435 -2.593 1.00 0.00 O ATOM 856 CB ASP A 58 -2.818 12.447 -1.944 1.00 0.00 C ATOM 857 CG ASP A 58 -1.743 11.468 -1.483 1.00 0.00 C ATOM 858 OD1 ASP A 58 -0.621 11.897 -1.276 1.00 0.00 O ATOM 859 OD2 ASP A 58 -2.059 10.299 -1.342 1.00 0.00 O ATOM 0 H ASP A 58 -1.481 11.365 -3.731 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.182 13.695 -3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.046 13.152 -1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.740 11.910 -2.168 1.00 0.00 H new ATOM 864 N GLY A 59 -0.071 13.878 -2.632 1.00 0.00 N ATOM 865 CA GLY A 59 0.975 14.821 -2.243 1.00 0.00 C ATOM 866 C GLY A 59 1.122 14.902 -0.725 1.00 0.00 C ATOM 867 O GLY A 59 1.856 15.747 -0.214 1.00 0.00 O ATOM 0 H GLY A 59 0.251 12.921 -2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.923 14.516 -2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.741 15.809 -2.640 1.00 0.00 H new ATOM 871 N ASN A 60 0.420 14.023 -0.016 1.00 0.00 N ATOM 872 CA ASN A 60 0.479 14.001 1.442 1.00 0.00 C ATOM 873 C ASN A 60 1.789 13.387 1.935 1.00 0.00 C ATOM 874 O ASN A 60 2.202 13.628 3.068 1.00 0.00 O ATOM 875 CB ASN A 60 -0.705 13.208 1.996 1.00 0.00 C ATOM 876 CG ASN A 60 -0.617 11.755 1.549 1.00 0.00 C ATOM 877 OD1 ASN A 60 0.418 11.320 1.059 1.00 0.00 O ATOM 878 ND2 ASN A 60 -1.652 10.975 1.692 1.00 0.00 N ATOM 0 H ASN A 60 -0.194 13.319 -0.425 1.00 0.00 H new ATOM 0 HA ASN A 60 0.431 15.030 1.799 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.711 13.262 3.085 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.641 13.647 1.650 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.601 10.000 1.396 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.513 11.339 2.100 1.00 0.00 H new ATOM 885 N GLY A 61 2.445 12.594 1.087 1.00 0.00 N ATOM 886 CA GLY A 61 3.708 11.966 1.467 1.00 0.00 C ATOM 887 C GLY A 61 3.485 10.665 2.227 1.00 0.00 C ATOM 888 O GLY A 61 4.434 9.935 2.515 1.00 0.00 O ATOM 0 H GLY A 61 2.126 12.374 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.299 11.768 0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.285 12.654 2.085 1.00 0.00 H new ATOM 892 N THR A 62 2.230 10.358 2.527 1.00 0.00 N ATOM 893 CA THR A 62 1.896 9.118 3.229 1.00 0.00 C ATOM 894 C THR A 62 0.722 8.454 2.531 1.00 0.00 C ATOM 895 O THR A 62 0.055 9.071 1.704 1.00 0.00 O ATOM 896 CB THR A 62 1.593 9.390 4.706 1.00 0.00 C ATOM 897 OG1 THR A 62 0.418 10.181 4.832 1.00 0.00 O ATOM 898 CG2 THR A 62 2.782 10.131 5.315 1.00 0.00 C ATOM 0 H THR A 62 1.428 10.945 2.298 1.00 0.00 H new ATOM 0 HA THR A 62 2.750 8.442 3.200 1.00 0.00 H new ATOM 0 HB THR A 62 1.429 8.447 5.227 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.323 10.479 5.761 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.584 10.334 6.368 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.678 9.517 5.226 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.933 11.072 4.787 1.00 0.00 H new ATOM 906 N ILE A 63 0.503 7.179 2.821 1.00 0.00 N ATOM 907 CA ILE A 63 -0.563 6.439 2.156 1.00 0.00 C ATOM 908 C ILE A 63 -1.836 6.411 2.978 1.00 0.00 C ATOM 909 O ILE A 63 -1.885 5.792 4.034 1.00 0.00 O ATOM 910 CB ILE A 63 -0.094 4.998 1.926 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.375 5.016 1.502 1.00 0.00 C ATOM 912 CG2 ILE A 63 -0.935 4.345 0.828 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.818 3.604 1.129 1.00 0.00 C ATOM 0 H ILE A 63 1.040 6.641 3.502 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.782 6.940 1.213 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.208 4.426 2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.511 5.687 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.993 5.400 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.596 3.321 0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.983 4.338 1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.827 4.910 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.865 3.619 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.698 2.946 1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.208 3.237 0.304 1.00 0.00 H new ATOM 925 N ASP A 64 -2.885 7.027 2.444 1.00 0.00 N ATOM 926 CA ASP A 64 -4.184 7.008 3.097 1.00 0.00 C ATOM 927 C ASP A 64 -4.814 5.685 2.694 1.00 0.00 C ATOM 928 O ASP A 64 -4.143 4.891 2.040 1.00 0.00 O ATOM 929 CB ASP A 64 -5.035 8.188 2.616 1.00 0.00 C ATOM 930 CG ASP A 64 -6.322 8.285 3.429 1.00 0.00 C ATOM 931 OD1 ASP A 64 -6.531 7.434 4.274 1.00 0.00 O ATOM 932 OD2 ASP A 64 -7.087 9.203 3.180 1.00 0.00 O ATOM 0 H ASP A 64 -2.859 7.543 1.564 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.103 7.100 4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.468 9.114 2.709 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.274 8.065 1.560 1.00 0.00 H new ATOM 937 N PHE A 65 -6.069 5.418 3.027 1.00 0.00 N ATOM 938 CA PHE A 65 -6.631 4.141 2.605 1.00 0.00 C ATOM 939 C PHE A 65 -7.030 4.156 1.104 1.00 0.00 C ATOM 940 O PHE A 65 -6.692 3.225 0.376 1.00 0.00 O ATOM 941 CB PHE A 65 -7.806 3.714 3.481 1.00 0.00 C ATOM 942 CG PHE A 65 -8.443 2.547 2.786 1.00 0.00 C ATOM 943 CD1 PHE A 65 -7.702 1.378 2.579 1.00 0.00 C ATOM 944 CD2 PHE A 65 -9.738 2.656 2.287 1.00 0.00 C ATOM 945 CE1 PHE A 65 -8.261 0.315 1.877 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.301 1.589 1.580 1.00 0.00 C ATOM 947 CZ PHE A 65 -9.560 0.416 1.375 1.00 0.00 C ATOM 0 H PHE A 65 -6.689 6.029 3.558 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.844 3.397 2.731 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.467 3.435 4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.518 4.530 3.603 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.696 1.301 2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.306 3.561 2.445 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.690 -0.588 1.720 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.306 1.668 1.192 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.994 -0.409 0.829 1.00 0.00 H new ATOM 957 N PRO A 66 -7.735 5.147 0.615 1.00 0.00 N ATOM 958 CA PRO A 66 -8.125 5.186 -0.836 1.00 0.00 C ATOM 959 C PRO A 66 -6.898 5.106 -1.753 1.00 0.00 C ATOM 960 O PRO A 66 -6.884 4.375 -2.736 1.00 0.00 O ATOM 961 CB PRO A 66 -8.842 6.537 -0.977 1.00 0.00 C ATOM 962 CG PRO A 66 -9.347 6.823 0.391 1.00 0.00 C ATOM 963 CD PRO A 66 -8.265 6.319 1.335 1.00 0.00 C ATOM 0 HA PRO A 66 -8.750 4.341 -1.127 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.161 7.316 -1.322 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.656 6.483 -1.699 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.524 7.890 0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.295 6.317 0.574 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.495 7.071 1.509 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.671 6.047 2.310 1.00 0.00 H new ATOM 971 N GLU A 67 -5.855 5.849 -1.411 1.00 0.00 N ATOM 972 CA GLU A 67 -4.638 5.827 -2.202 1.00 0.00 C ATOM 973 C GLU A 67 -4.160 4.397 -2.293 1.00 0.00 C ATOM 974 O GLU A 67 -3.945 3.842 -3.370 1.00 0.00 O ATOM 975 CB GLU A 67 -3.554 6.663 -1.513 1.00 0.00 C ATOM 976 CG GLU A 67 -2.330 6.780 -2.422 1.00 0.00 C ATOM 977 CD GLU A 67 -1.340 7.780 -1.832 1.00 0.00 C ATOM 978 OE1 GLU A 67 -1.479 8.112 -0.669 1.00 0.00 O ATOM 979 OE2 GLU A 67 -0.462 8.205 -2.553 1.00 0.00 O ATOM 0 H GLU A 67 -5.828 6.467 -0.600 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.835 6.236 -3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.941 7.655 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.272 6.201 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.854 5.806 -2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.635 7.101 -3.418 1.00 0.00 H new ATOM 986 N PHE A 68 -4.044 3.790 -1.130 1.00 0.00 N ATOM 987 CA PHE A 68 -3.624 2.415 -1.041 1.00 0.00 C ATOM 988 C PHE A 68 -4.428 1.548 -2.030 1.00 0.00 C ATOM 989 O PHE A 68 -3.863 0.676 -2.688 1.00 0.00 O ATOM 990 CB PHE A 68 -3.780 1.925 0.415 1.00 0.00 C ATOM 991 CG PHE A 68 -3.605 0.427 0.490 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.320 -0.115 0.497 1.00 0.00 C ATOM 993 CD2 PHE A 68 -4.721 -0.422 0.539 1.00 0.00 C ATOM 994 CE1 PHE A 68 -2.143 -1.498 0.550 1.00 0.00 C ATOM 995 CE2 PHE A 68 -4.542 -1.809 0.587 1.00 0.00 C ATOM 996 CZ PHE A 68 -3.254 -2.342 0.593 1.00 0.00 C ATOM 0 H PHE A 68 -4.237 4.233 -0.232 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.573 2.329 -1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.043 2.416 1.051 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.764 2.202 0.795 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.460 0.537 0.461 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.717 -0.005 0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.147 -1.915 0.558 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.399 -2.465 0.619 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.115 -3.412 0.631 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.731 1.797 -2.153 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.549 1.024 -3.091 1.00 0.00 C ATOM 1008 C LEU A 69 -6.047 1.221 -4.527 1.00 0.00 C ATOM 1009 O LEU A 69 -5.932 0.263 -5.298 1.00 0.00 O ATOM 1010 CB LEU A 69 -8.026 1.474 -3.009 1.00 0.00 C ATOM 1011 CG LEU A 69 -8.704 0.900 -1.750 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -10.141 1.432 -1.641 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -8.747 -0.634 -1.835 1.00 0.00 C ATOM 0 H LEU A 69 -6.236 2.511 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.472 -0.029 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.079 2.563 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.562 1.143 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.132 1.205 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.614 1.022 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.122 2.520 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.708 1.132 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.227 -1.035 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.313 -0.934 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.731 -1.023 -1.906 1.00 0.00 H new ATOM 1025 N ASN A 70 -5.740 2.465 -4.874 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.251 2.786 -6.214 1.00 0.00 C ATOM 1027 C ASN A 70 -3.983 1.992 -6.485 1.00 0.00 C ATOM 1028 O ASN A 70 -3.808 1.363 -7.533 1.00 0.00 O ATOM 1029 CB ASN A 70 -4.901 4.280 -6.257 1.00 0.00 C ATOM 1030 CG ASN A 70 -6.097 5.132 -5.836 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -5.923 6.278 -5.400 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -7.297 4.648 -5.941 1.00 0.00 N ATOM 0 H ASN A 70 -5.820 3.268 -4.250 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.012 2.544 -6.956 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.057 4.479 -5.597 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.589 4.556 -7.264 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.100 5.212 -5.664 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.436 3.704 -6.301 1.00 0.00 H new ATOM 1039 N LEU A 71 -3.135 2.035 -5.491 1.00 0.00 N ATOM 1040 CA LEU A 71 -1.852 1.361 -5.478 1.00 0.00 C ATOM 1041 C LEU A 71 -2.038 -0.148 -5.652 1.00 0.00 C ATOM 1042 O LEU A 71 -1.375 -0.775 -6.481 1.00 0.00 O ATOM 1043 CB LEU A 71 -1.246 1.729 -4.109 1.00 0.00 C ATOM 1044 CG LEU A 71 -0.251 0.710 -3.568 1.00 0.00 C ATOM 1045 CD1 LEU A 71 0.915 0.557 -4.534 1.00 0.00 C ATOM 1046 CD2 LEU A 71 0.266 1.243 -2.228 1.00 0.00 C ATOM 0 H LEU A 71 -3.320 2.558 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.197 1.662 -6.295 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.749 2.695 -4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.054 1.848 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.729 -0.262 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.621 -0.173 -4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.544 0.217 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.416 1.518 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.983 0.538 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.752 2.206 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.569 1.365 -1.538 1.00 0.00 H new ATOM 1058 N MET A 72 -2.967 -0.689 -4.882 1.00 0.00 N ATOM 1059 CA MET A 72 -3.295 -2.109 -4.931 1.00 0.00 C ATOM 1060 C MET A 72 -3.955 -2.458 -6.271 1.00 0.00 C ATOM 1061 O MET A 72 -3.646 -3.479 -6.885 1.00 0.00 O ATOM 1062 CB MET A 72 -4.252 -2.421 -3.761 1.00 0.00 C ATOM 1063 CG MET A 72 -3.944 -3.782 -3.137 1.00 0.00 C ATOM 1064 SD MET A 72 -2.317 -3.737 -2.354 1.00 0.00 S ATOM 1065 CE MET A 72 -2.362 -5.416 -1.691 1.00 0.00 C ATOM 0 H MET A 72 -3.516 -0.159 -4.205 1.00 0.00 H new ATOM 0 HA MET A 72 -2.388 -2.707 -4.841 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.167 -1.643 -3.002 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.282 -2.407 -4.118 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.706 -4.036 -2.400 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.969 -4.558 -3.902 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.437 -5.619 -1.152 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.208 -5.516 -1.010 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.469 -6.128 -2.510 1.00 0.00 H new ATOM 1075 N ALA A 73 -4.891 -1.615 -6.705 1.00 0.00 N ATOM 1076 CA ALA A 73 -5.609 -1.859 -7.956 1.00 0.00 C ATOM 1077 C ALA A 73 -4.637 -1.893 -9.117 1.00 0.00 C ATOM 1078 O ALA A 73 -4.754 -2.719 -10.021 1.00 0.00 O ATOM 1079 CB ALA A 73 -6.649 -0.762 -8.197 1.00 0.00 C ATOM 0 H ALA A 73 -5.168 -0.765 -6.215 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.115 -2.821 -7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.175 -0.958 -9.132 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.364 -0.751 -7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.150 0.205 -8.257 1.00 0.00 H new ATOM 1085 N ARG A 74 -3.663 -1.000 -9.067 1.00 0.00 N ATOM 1086 CA ARG A 74 -2.637 -0.934 -10.094 1.00 0.00 C ATOM 1087 C ARG A 74 -1.712 -2.135 -9.970 1.00 0.00 C ATOM 1088 O ARG A 74 -1.249 -2.687 -10.960 1.00 0.00 O ATOM 1089 CB ARG A 74 -1.843 0.360 -9.931 1.00 0.00 C ATOM 1090 CG ARG A 74 -2.700 1.555 -10.376 1.00 0.00 C ATOM 1091 CD ARG A 74 -1.953 2.862 -10.098 1.00 0.00 C ATOM 1092 NE ARG A 74 -2.779 3.996 -10.500 1.00 0.00 N ATOM 1093 CZ ARG A 74 -2.432 5.245 -10.211 1.00 0.00 C ATOM 1094 NH1 ARG A 74 -1.330 5.484 -9.552 1.00 0.00 N ATOM 1095 NH2 ARG A 74 -3.195 6.235 -10.584 1.00 0.00 N ATOM 0 H ARG A 74 -3.561 -0.309 -8.324 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.102 -0.948 -11.080 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.542 0.484 -8.891 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.930 0.314 -10.524 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.928 1.475 -11.439 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.652 1.549 -9.845 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.710 2.935 -9.038 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.009 2.876 -10.643 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.643 3.825 -11.015 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.734 4.711 -9.258 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.066 6.444 -9.331 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.057 6.049 -11.097 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.930 7.195 -10.363 1.00 0.00 H new ATOM 1109 N LYS A 75 -1.446 -2.518 -8.732 1.00 0.00 N ATOM 1110 CA LYS A 75 -0.570 -3.646 -8.449 1.00 0.00 C ATOM 1111 C LYS A 75 -1.153 -4.928 -9.028 1.00 0.00 C ATOM 1112 O LYS A 75 -0.424 -5.806 -9.490 1.00 0.00 O ATOM 1113 CB LYS A 75 -0.409 -3.793 -6.935 1.00 0.00 C ATOM 1114 CG LYS A 75 0.672 -4.838 -6.637 1.00 0.00 C ATOM 1115 CD LYS A 75 0.942 -4.905 -5.125 1.00 0.00 C ATOM 1116 CE LYS A 75 2.084 -5.891 -4.839 1.00 0.00 C ATOM 1117 NZ LYS A 75 1.646 -7.281 -5.152 1.00 0.00 N ATOM 0 H LYS A 75 -1.826 -2.062 -7.902 1.00 0.00 H new ATOM 0 HA LYS A 75 0.402 -3.465 -8.908 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.136 -2.835 -6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.355 -4.094 -6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.354 -5.815 -7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.590 -4.584 -7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.202 -3.915 -4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.040 -5.218 -4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.958 -5.632 -5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.382 -5.822 -3.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.346 -7.957 -4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.724 -7.463 -4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.562 -7.395 -6.182 1.00 0.00 H new ATOM 1131 N MET A 76 -2.476 -5.017 -8.990 1.00 0.00 N ATOM 1132 CA MET A 76 -3.187 -6.183 -9.500 1.00 0.00 C ATOM 1133 C MET A 76 -3.007 -6.340 -11.014 1.00 0.00 C ATOM 1134 O MET A 76 -3.693 -7.145 -11.649 1.00 0.00 O ATOM 1135 CB MET A 76 -4.675 -6.040 -9.162 1.00 0.00 C ATOM 1136 CG MET A 76 -4.911 -6.333 -7.673 1.00 0.00 C ATOM 1137 SD MET A 76 -4.593 -8.083 -7.332 1.00 0.00 S ATOM 1138 CE MET A 76 -6.227 -8.715 -7.797 1.00 0.00 C ATOM 0 H MET A 76 -3.082 -4.291 -8.609 1.00 0.00 H new ATOM 0 HA MET A 76 -2.774 -7.075 -9.029 1.00 0.00 H new ATOM 0 HB2 MET A 76 -5.014 -5.032 -9.400 1.00 0.00 H new ATOM 0 HB3 MET A 76 -5.262 -6.726 -9.773 1.00 0.00 H new ATOM 0 HG2 MET A 76 -4.257 -5.710 -7.063 1.00 0.00 H new ATOM 0 HG3 MET A 76 -5.936 -6.081 -7.402 1.00 0.00 H new ATOM 0 HE1 MET A 76 -6.287 -9.777 -7.561 1.00 0.00 H new ATOM 0 HE2 MET A 76 -6.996 -8.176 -7.244 1.00 0.00 H new ATOM 0 HE3 MET A 76 -6.382 -8.572 -8.866 1.00 0.00 H new ATOM 1148 N LYS A 77 -2.077 -5.581 -11.576 1.00 0.00 N ATOM 1149 CA LYS A 77 -1.799 -5.633 -13.011 1.00 0.00 C ATOM 1150 C LYS A 77 -1.491 -7.059 -13.458 1.00 0.00 C ATOM 1151 O LYS A 77 -1.980 -7.512 -14.491 1.00 0.00 O ATOM 1152 CB LYS A 77 -0.596 -4.738 -13.313 1.00 0.00 C ATOM 1153 CG LYS A 77 -0.319 -4.693 -14.814 1.00 0.00 C ATOM 1154 CD LYS A 77 0.856 -3.743 -15.053 1.00 0.00 C ATOM 1155 CE LYS A 77 1.166 -3.649 -16.547 1.00 0.00 C ATOM 1156 NZ LYS A 77 2.290 -2.689 -16.749 1.00 0.00 N ATOM 0 H LYS A 77 -1.498 -4.918 -11.061 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.680 -5.287 -13.552 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.784 -3.730 -12.943 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.283 -5.112 -12.787 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.084 -5.690 -15.188 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.202 -4.350 -15.354 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.619 -2.754 -14.661 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.735 -4.097 -14.514 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.434 -4.630 -16.939 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.284 -3.317 -17.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.508 -2.618 -17.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.016 -1.753 -16.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.130 -3.026 -16.237 1.00 0.00 H new ATOM 1170 N ASP A 78 -0.668 -7.756 -12.676 1.00 0.00 N ATOM 1171 CA ASP A 78 -0.288 -9.127 -13.000 1.00 0.00 C ATOM 1172 C ASP A 78 -1.449 -10.085 -12.766 1.00 0.00 C ATOM 1173 O ASP A 78 -1.673 -10.551 -11.650 1.00 0.00 O ATOM 1174 CB ASP A 78 0.902 -9.543 -12.132 1.00 0.00 C ATOM 1175 CG ASP A 78 2.155 -8.805 -12.587 1.00 0.00 C ATOM 1176 OD1 ASP A 78 2.138 -8.271 -13.683 1.00 0.00 O ATOM 1177 OD2 ASP A 78 3.113 -8.782 -11.831 1.00 0.00 O ATOM 0 H ASP A 78 -0.254 -7.394 -11.817 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.014 -9.171 -14.054 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.697 -9.319 -11.085 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.057 -10.620 -12.203 1.00 0.00 H new ATOM 1182 N THR A 79 -2.184 -10.371 -13.834 1.00 0.00 N ATOM 1183 CA THR A 79 -3.329 -11.272 -13.751 1.00 0.00 C ATOM 1184 C THR A 79 -2.872 -12.728 -13.748 1.00 0.00 C ATOM 1185 O THR A 79 -3.222 -13.435 -12.819 1.00 0.00 O ATOM 1186 CB THR A 79 -4.260 -11.030 -14.941 1.00 0.00 C ATOM 1187 OG1 THR A 79 -4.671 -9.670 -14.947 1.00 0.00 O ATOM 1188 CG2 THR A 79 -5.487 -11.935 -14.831 1.00 0.00 C ATOM 1189 OXT THR A 79 -2.179 -13.113 -14.675 1.00 0.00 O ATOM 0 H THR A 79 -2.009 -9.994 -14.765 1.00 0.00 H new ATOM 0 HA THR A 79 -3.861 -11.072 -12.821 1.00 0.00 H new ATOM 0 HB THR A 79 -3.731 -11.257 -15.866 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.266 -9.511 -15.709 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.147 -11.759 -15.681 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.171 -12.978 -14.828 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.020 -11.714 -13.906 1.00 0.00 H new TER 1197 THR A 79 HETATM 1198 CA CA A 179 0.565 4.214 10.178 1.00 0.00 CA HETATM 1199 CA CA A 192 1.299 9.493 -0.590 1.00 0.00 CA