USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 751 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 THR OG1 : rot 180:sc= 0.00779 USER MOD Single : A 9 SER OG : rot 34:sc= 0.0565 USER MOD Single : A 10 GLN : amide:sc= -0.37 K(o=-0.37,f=-1.4) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.698 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 30:sc= 0 USER MOD Single : A 36 SER OG : rot -122:sc= -0.384! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 171:sc=-0.00715 (180deg=-0.0997) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -130:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.1!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -139:sc= 0.744! (180deg=-1.32!) USER MOD Single : A 80 THR OG1 : rot 1:sc= 0.541 USER MOD Single : A 83 GLN : amide:sc= -0.438 K(o=-0.44,f=-1.3) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 89 ASN : amide:sc= -0.464 K(o=-0.46,f=-1.3) USER MOD Single : A 90 MET CE :methyl 137:sc= -0.413 (180deg=-1.33!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.828 -18.159 1.609 1.00 0.00 N ATOM 2 CA MET A 1 10.114 -16.857 1.662 1.00 0.00 C ATOM 3 C MET A 1 10.821 -15.810 0.810 1.00 0.00 C ATOM 4 O MET A 1 12.018 -15.571 0.969 1.00 0.00 O ATOM 5 CB MET A 1 10.048 -16.392 3.118 1.00 0.00 C ATOM 6 CG MET A 1 8.721 -15.752 3.493 1.00 0.00 C ATOM 7 SD MET A 1 8.636 -14.010 3.037 1.00 0.00 S ATOM 8 CE MET A 1 6.905 -13.665 3.333 1.00 0.00 C ATOM 0 H1 MET A 1 10.326 -18.854 2.197 1.00 0.00 H new ATOM 0 H2 MET A 1 10.861 -18.497 0.626 1.00 0.00 H new ATOM 0 H3 MET A 1 11.797 -18.038 1.966 1.00 0.00 H new ATOM 0 HA MET A 1 9.108 -16.985 1.263 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.228 -17.245 3.772 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.851 -15.677 3.299 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.911 -16.292 3.003 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.566 -15.850 4.567 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.696 -12.622 3.096 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.293 -14.310 2.703 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.671 -13.853 4.381 1.00 0.00 H new ATOM 18 N LEU A 2 10.073 -15.188 -0.091 1.00 0.00 N ATOM 19 CA LEU A 2 10.627 -14.165 -0.965 1.00 0.00 C ATOM 20 C LEU A 2 9.717 -12.945 -1.010 1.00 0.00 C ATOM 21 O LEU A 2 8.499 -13.071 -1.141 1.00 0.00 O ATOM 22 CB LEU A 2 10.833 -14.722 -2.374 1.00 0.00 C ATOM 23 CG LEU A 2 9.549 -15.100 -3.113 1.00 0.00 C ATOM 24 CD1 LEU A 2 9.280 -14.121 -4.245 1.00 0.00 C ATOM 25 CD2 LEU A 2 9.638 -16.521 -3.646 1.00 0.00 C ATOM 0 H LEU A 2 9.081 -15.375 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 2 11.593 -13.860 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.371 -13.982 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 2 11.471 -15.604 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 2 8.719 -15.050 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.363 -14.404 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.172 -13.115 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 2 10.112 -14.140 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 2 8.715 -16.772 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 2 10.478 -16.599 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.784 -17.212 -2.816 1.00 0.00 H new ATOM 37 N THR A 3 10.316 -11.768 -0.895 1.00 0.00 N ATOM 38 CA THR A 3 9.566 -10.520 -0.914 1.00 0.00 C ATOM 39 C THR A 3 9.279 -10.069 -2.341 1.00 0.00 C ATOM 40 O THR A 3 10.134 -10.173 -3.221 1.00 0.00 O ATOM 41 CB THR A 3 10.328 -9.401 -0.182 1.00 0.00 C ATOM 42 OG1 THR A 3 11.235 -9.936 0.790 1.00 0.00 O ATOM 43 CG2 THR A 3 9.365 -8.459 0.524 1.00 0.00 C ATOM 0 H THR A 3 11.324 -11.651 -0.787 1.00 0.00 H new ATOM 0 HA THR A 3 8.624 -10.710 -0.401 1.00 0.00 H new ATOM 0 HB THR A 3 10.890 -8.855 -0.939 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.706 -9.202 1.237 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.929 -7.677 1.034 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.697 -8.006 -0.208 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.779 -9.018 1.253 1.00 0.00 H new ATOM 51 N PRO A 4 8.068 -9.550 -2.583 1.00 0.00 N ATOM 52 CA PRO A 4 7.665 -9.068 -3.906 1.00 0.00 C ATOM 53 C PRO A 4 8.335 -7.744 -4.251 1.00 0.00 C ATOM 54 O PRO A 4 8.776 -7.015 -3.362 1.00 0.00 O ATOM 55 CB PRO A 4 6.153 -8.884 -3.765 1.00 0.00 C ATOM 56 CG PRO A 4 5.939 -8.610 -2.317 1.00 0.00 C ATOM 57 CD PRO A 4 7.000 -9.384 -1.581 1.00 0.00 C ATOM 0 HA PRO A 4 7.949 -9.754 -4.704 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.795 -8.059 -4.381 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.614 -9.776 -4.083 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.019 -7.543 -2.107 1.00 0.00 H new ATOM 0 HG3 PRO A 4 4.942 -8.922 -2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.354 -8.843 -0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.625 -10.346 -1.232 1.00 0.00 H new ATOM 65 N ALA A 5 8.414 -7.432 -5.541 1.00 0.00 N ATOM 66 CA ALA A 5 9.036 -6.193 -5.983 1.00 0.00 C ATOM 67 C ALA A 5 8.012 -5.066 -6.068 1.00 0.00 C ATOM 68 O ALA A 5 7.818 -4.471 -7.127 1.00 0.00 O ATOM 69 CB ALA A 5 9.722 -6.381 -7.329 1.00 0.00 C ATOM 0 H ALA A 5 8.056 -8.019 -6.294 1.00 0.00 H new ATOM 0 HA ALA A 5 9.789 -5.919 -5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.180 -5.441 -7.639 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.492 -7.148 -7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.987 -6.689 -8.072 1.00 0.00 H new ATOM 75 N PHE A 6 7.358 -4.780 -4.945 1.00 0.00 N ATOM 76 CA PHE A 6 6.356 -3.726 -4.893 1.00 0.00 C ATOM 77 C PHE A 6 7.002 -2.353 -5.062 1.00 0.00 C ATOM 78 O PHE A 6 8.218 -2.210 -4.940 1.00 0.00 O ATOM 79 CB PHE A 6 5.594 -3.793 -3.569 1.00 0.00 C ATOM 80 CG PHE A 6 6.428 -3.451 -2.367 1.00 0.00 C ATOM 81 CD1 PHE A 6 6.568 -2.135 -1.953 1.00 0.00 C ATOM 82 CD2 PHE A 6 7.071 -4.447 -1.648 1.00 0.00 C ATOM 83 CE1 PHE A 6 7.333 -1.820 -0.846 1.00 0.00 C ATOM 84 CE2 PHE A 6 7.837 -4.138 -0.541 1.00 0.00 C ATOM 85 CZ PHE A 6 7.969 -2.822 -0.140 1.00 0.00 C ATOM 0 H PHE A 6 7.506 -5.265 -4.060 1.00 0.00 H new ATOM 0 HA PHE A 6 5.656 -3.876 -5.715 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.745 -3.111 -3.615 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.190 -4.798 -3.444 1.00 0.00 H new ATOM 0 HD1 PHE A 6 6.074 -1.347 -2.502 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.972 -5.477 -1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.433 -0.791 -0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.332 -4.924 0.010 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.569 -2.578 0.724 1.00 0.00 H new ATOM 95 N ASP A 7 6.181 -1.346 -5.342 1.00 0.00 N ATOM 96 CA ASP A 7 6.670 0.017 -5.522 1.00 0.00 C ATOM 97 C ASP A 7 5.613 1.024 -5.087 1.00 0.00 C ATOM 98 O ASP A 7 4.422 0.709 -5.060 1.00 0.00 O ATOM 99 CB ASP A 7 7.051 0.261 -6.983 1.00 0.00 C ATOM 100 CG ASP A 7 8.402 0.931 -7.124 1.00 0.00 C ATOM 101 OD1 ASP A 7 9.350 0.511 -6.427 1.00 0.00 O ATOM 102 OD2 ASP A 7 8.514 1.878 -7.931 1.00 0.00 O ATOM 0 H ASP A 7 5.172 -1.448 -5.449 1.00 0.00 H new ATOM 0 HA ASP A 7 7.556 0.146 -4.901 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.063 -0.690 -7.516 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.290 0.882 -7.455 1.00 0.00 H new ATOM 107 N LEU A 8 6.044 2.232 -4.738 1.00 0.00 N ATOM 108 CA LEU A 8 5.113 3.262 -4.297 1.00 0.00 C ATOM 109 C LEU A 8 5.160 4.496 -5.192 1.00 0.00 C ATOM 110 O LEU A 8 6.228 4.950 -5.604 1.00 0.00 O ATOM 111 CB LEU A 8 5.402 3.661 -2.848 1.00 0.00 C ATOM 112 CG LEU A 8 5.928 2.536 -1.957 1.00 0.00 C ATOM 113 CD1 LEU A 8 7.005 3.058 -1.018 1.00 0.00 C ATOM 114 CD2 LEU A 8 4.788 1.907 -1.169 1.00 0.00 C ATOM 0 H LEU A 8 7.023 2.519 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 8 4.111 2.839 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.130 4.472 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.486 4.055 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 8 6.371 1.769 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.368 2.243 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.832 3.462 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.588 3.843 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.179 1.108 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.317 2.665 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.051 1.497 -1.860 1.00 0.00 H new ATOM 126 N SER A 9 3.979 5.036 -5.462 1.00 0.00 N ATOM 127 CA SER A 9 3.825 6.231 -6.281 1.00 0.00 C ATOM 128 C SER A 9 2.737 7.100 -5.672 1.00 0.00 C ATOM 129 O SER A 9 1.668 6.603 -5.317 1.00 0.00 O ATOM 130 CB SER A 9 3.467 5.857 -7.720 1.00 0.00 C ATOM 131 OG SER A 9 2.257 5.121 -7.769 1.00 0.00 O ATOM 0 H SER A 9 3.097 4.656 -5.118 1.00 0.00 H new ATOM 0 HA SER A 9 4.766 6.781 -6.305 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.371 6.761 -8.321 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.273 5.268 -8.157 1.00 0.00 H new ATOM 0 HG SER A 9 1.650 5.442 -7.070 1.00 0.00 H new ATOM 137 N GLN A 10 3.014 8.385 -5.510 1.00 0.00 N ATOM 138 CA GLN A 10 2.042 9.274 -4.892 1.00 0.00 C ATOM 139 C GLN A 10 1.810 10.545 -5.699 1.00 0.00 C ATOM 140 O GLN A 10 2.724 11.096 -6.310 1.00 0.00 O ATOM 141 CB GLN A 10 2.505 9.638 -3.484 1.00 0.00 C ATOM 142 CG GLN A 10 3.493 10.791 -3.450 1.00 0.00 C ATOM 143 CD GLN A 10 4.823 10.436 -4.086 1.00 0.00 C ATOM 144 OE1 GLN A 10 5.699 9.862 -3.439 1.00 0.00 O ATOM 145 NE2 GLN A 10 4.981 10.776 -5.360 1.00 0.00 N ATOM 0 H GLN A 10 3.888 8.830 -5.792 1.00 0.00 H new ATOM 0 HA GLN A 10 1.093 8.739 -4.855 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.636 9.897 -2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.964 8.763 -3.023 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.064 11.648 -3.968 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.658 11.093 -2.416 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.228 11.251 -5.858 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.855 10.562 -5.840 1.00 0.00 H new ATOM 154 N ASP A 11 0.565 11.006 -5.665 1.00 0.00 N ATOM 155 CA ASP A 11 0.157 12.218 -6.356 1.00 0.00 C ATOM 156 C ASP A 11 -0.132 13.322 -5.342 1.00 0.00 C ATOM 157 O ASP A 11 -0.351 13.050 -4.161 1.00 0.00 O ATOM 158 CB ASP A 11 -1.078 11.950 -7.216 1.00 0.00 C ATOM 159 CG ASP A 11 -0.719 11.581 -8.642 1.00 0.00 C ATOM 160 OD1 ASP A 11 0.242 10.805 -8.831 1.00 0.00 O ATOM 161 OD2 ASP A 11 -1.398 12.068 -9.570 1.00 0.00 O ATOM 0 H ASP A 11 -0.190 10.547 -5.155 1.00 0.00 H new ATOM 0 HA ASP A 11 0.968 12.542 -7.009 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.660 11.143 -6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.713 12.836 -7.221 1.00 0.00 H new ATOM 166 N PRO A 12 -0.122 14.585 -5.786 1.00 0.00 N ATOM 167 CA PRO A 12 -0.368 15.742 -4.913 1.00 0.00 C ATOM 168 C PRO A 12 -1.766 15.763 -4.289 1.00 0.00 C ATOM 169 O PRO A 12 -2.078 16.655 -3.500 1.00 0.00 O ATOM 170 CB PRO A 12 -0.187 16.944 -5.846 1.00 0.00 C ATOM 171 CG PRO A 12 -0.372 16.400 -7.221 1.00 0.00 C ATOM 172 CD PRO A 12 0.143 14.990 -7.175 1.00 0.00 C ATOM 0 HA PRO A 12 0.307 15.730 -4.057 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.917 17.724 -5.629 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.801 17.389 -5.728 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.422 16.424 -7.513 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.176 16.993 -7.953 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.374 14.348 -7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.205 14.941 -7.414 1.00 0.00 H new ATOM 180 N ASP A 13 -2.599 14.775 -4.612 1.00 0.00 N ATOM 181 CA ASP A 13 -3.943 14.692 -4.042 1.00 0.00 C ATOM 182 C ASP A 13 -4.281 13.257 -3.641 1.00 0.00 C ATOM 183 O ASP A 13 -5.420 12.964 -3.281 1.00 0.00 O ATOM 184 CB ASP A 13 -4.986 15.205 -5.035 1.00 0.00 C ATOM 185 CG ASP A 13 -4.906 16.706 -5.236 1.00 0.00 C ATOM 186 OD1 ASP A 13 -5.546 17.443 -4.455 1.00 0.00 O ATOM 187 OD2 ASP A 13 -4.205 17.143 -6.172 1.00 0.00 O ATOM 0 H ASP A 13 -2.369 14.024 -5.262 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.961 15.319 -3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.847 14.705 -5.994 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.982 14.942 -4.679 1.00 0.00 H new ATOM 192 N PHE A 14 -3.278 12.375 -3.691 1.00 0.00 N ATOM 193 CA PHE A 14 -3.464 10.967 -3.330 1.00 0.00 C ATOM 194 C PHE A 14 -2.135 10.219 -3.261 1.00 0.00 C ATOM 195 O PHE A 14 -1.092 10.732 -3.654 1.00 0.00 O ATOM 196 CB PHE A 14 -4.355 10.243 -4.357 1.00 0.00 C ATOM 197 CG PHE A 14 -5.592 10.991 -4.766 1.00 0.00 C ATOM 198 CD1 PHE A 14 -5.544 11.939 -5.775 1.00 0.00 C ATOM 199 CD2 PHE A 14 -6.803 10.746 -4.138 1.00 0.00 C ATOM 200 CE1 PHE A 14 -6.682 12.629 -6.152 1.00 0.00 C ATOM 201 CE2 PHE A 14 -7.945 11.433 -4.510 1.00 0.00 C ATOM 202 CZ PHE A 14 -7.883 12.375 -5.518 1.00 0.00 C ATOM 0 H PHE A 14 -2.328 12.612 -3.978 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.938 10.966 -2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.762 10.037 -5.248 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.652 9.280 -3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.607 12.142 -6.273 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.856 10.010 -3.349 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.632 13.365 -6.941 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.883 11.233 -4.013 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.773 12.913 -5.810 1.00 0.00 H new ATOM 212 N LEU A 15 -2.210 8.984 -2.778 1.00 0.00 N ATOM 213 CA LEU A 15 -1.051 8.105 -2.674 1.00 0.00 C ATOM 214 C LEU A 15 -1.438 6.734 -3.200 1.00 0.00 C ATOM 215 O LEU A 15 -2.342 6.100 -2.656 1.00 0.00 O ATOM 216 CB LEU A 15 -0.582 7.984 -1.220 1.00 0.00 C ATOM 217 CG LEU A 15 0.382 6.828 -0.941 1.00 0.00 C ATOM 218 CD1 LEU A 15 -0.383 5.581 -0.521 1.00 0.00 C ATOM 219 CD2 LEU A 15 1.242 6.541 -2.164 1.00 0.00 C ATOM 0 H LEU A 15 -3.078 8.563 -2.447 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.232 8.523 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.098 8.917 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.457 7.869 -0.581 1.00 0.00 H new ATOM 0 HG LEU A 15 1.038 7.120 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.320 4.771 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.953 5.791 0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.065 5.287 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.921 5.716 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.602 6.272 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.820 7.429 -2.419 1.00 0.00 H new ATOM 231 N THR A 16 -0.781 6.264 -4.253 1.00 0.00 N ATOM 232 CA THR A 16 -1.106 4.964 -4.813 1.00 0.00 C ATOM 233 C THR A 16 -0.003 3.966 -4.503 1.00 0.00 C ATOM 234 O THR A 16 1.175 4.319 -4.454 1.00 0.00 O ATOM 235 CB THR A 16 -1.304 5.054 -6.341 1.00 0.00 C ATOM 236 OG1 THR A 16 -2.584 5.607 -6.668 1.00 0.00 O ATOM 237 CG2 THR A 16 -1.191 3.685 -6.999 1.00 0.00 C ATOM 0 H THR A 16 -0.028 6.760 -4.730 1.00 0.00 H new ATOM 0 HA THR A 16 -2.038 4.627 -4.359 1.00 0.00 H new ATOM 0 HB THR A 16 -0.515 5.706 -6.717 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.681 5.654 -7.642 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.336 3.785 -8.075 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.203 3.268 -6.803 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.953 3.021 -6.591 1.00 0.00 H new ATOM 245 N ILE A 17 -0.390 2.719 -4.298 1.00 0.00 N ATOM 246 CA ILE A 17 0.567 1.673 -3.995 1.00 0.00 C ATOM 247 C ILE A 17 0.535 0.589 -5.063 1.00 0.00 C ATOM 248 O ILE A 17 -0.474 0.408 -5.747 1.00 0.00 O ATOM 249 CB ILE A 17 0.299 1.063 -2.610 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.054 2.181 -1.589 1.00 0.00 C ATOM 251 CG2 ILE A 17 1.470 0.189 -2.184 1.00 0.00 C ATOM 252 CD1 ILE A 17 0.205 1.737 -0.152 1.00 0.00 C ATOM 0 H ILE A 17 -1.361 2.408 -4.336 1.00 0.00 H new ATOM 0 HA ILE A 17 1.560 2.123 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.592 0.436 -2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.751 2.997 -1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.951 2.579 -1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.267 -0.237 -1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.606 -0.615 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.377 0.792 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.017 2.581 0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.510 0.942 0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.217 1.367 0.010 1.00 0.00 H new ATOM 264 N ALA A 18 1.649 -0.118 -5.215 1.00 0.00 N ATOM 265 CA ALA A 18 1.748 -1.171 -6.216 1.00 0.00 C ATOM 266 C ALA A 18 2.368 -2.436 -5.635 1.00 0.00 C ATOM 267 O ALA A 18 3.559 -2.471 -5.321 1.00 0.00 O ATOM 268 CB ALA A 18 2.549 -0.693 -7.418 1.00 0.00 C ATOM 0 H ALA A 18 2.493 0.019 -4.659 1.00 0.00 H new ATOM 0 HA ALA A 18 0.736 -1.413 -6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.612 -1.494 -8.155 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.057 0.172 -7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.553 -0.414 -7.099 1.00 0.00 H new ATOM 274 N ILE A 19 1.551 -3.474 -5.500 1.00 0.00 N ATOM 275 CA ILE A 19 2.009 -4.750 -4.967 1.00 0.00 C ATOM 276 C ILE A 19 1.667 -5.886 -5.927 1.00 0.00 C ATOM 277 O ILE A 19 0.501 -6.090 -6.264 1.00 0.00 O ATOM 278 CB ILE A 19 1.381 -5.035 -3.589 1.00 0.00 C ATOM 279 CG1 ILE A 19 1.399 -3.772 -2.727 1.00 0.00 C ATOM 280 CG2 ILE A 19 2.114 -6.171 -2.891 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.327 -3.754 -1.660 1.00 0.00 C ATOM 0 H ILE A 19 0.563 -3.456 -5.754 1.00 0.00 H new ATOM 0 HA ILE A 19 3.091 -4.689 -4.852 1.00 0.00 H new ATOM 0 HB ILE A 19 0.345 -5.339 -3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.375 -3.680 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.275 -2.901 -3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.656 -6.357 -1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.052 -7.073 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.160 -5.898 -2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.399 -2.829 -1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.655 -3.814 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.463 -4.606 -0.993 1.00 0.00 H new ATOM 293 N ARG A 20 2.683 -6.626 -6.365 1.00 0.00 N ATOM 294 CA ARG A 20 2.470 -7.738 -7.285 1.00 0.00 C ATOM 295 C ARG A 20 2.605 -9.072 -6.555 1.00 0.00 C ATOM 296 O ARG A 20 3.654 -9.376 -5.988 1.00 0.00 O ATOM 297 CB ARG A 20 3.467 -7.680 -8.453 1.00 0.00 C ATOM 298 CG ARG A 20 4.109 -6.312 -8.675 1.00 0.00 C ATOM 299 CD ARG A 20 5.615 -6.430 -8.864 1.00 0.00 C ATOM 300 NE ARG A 20 6.123 -5.504 -9.878 1.00 0.00 N ATOM 301 CZ ARG A 20 6.307 -5.828 -11.157 1.00 0.00 C ATOM 302 NH1 ARG A 20 6.005 -7.044 -11.592 1.00 0.00 N ATOM 303 NH2 ARG A 20 6.793 -4.932 -12.006 1.00 0.00 N ATOM 0 H ARG A 20 3.656 -6.476 -6.099 1.00 0.00 H new ATOM 0 HA ARG A 20 1.459 -7.654 -7.684 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.255 -8.412 -8.277 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.953 -7.978 -9.367 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.667 -5.839 -9.552 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.897 -5.666 -7.823 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.114 -6.235 -7.915 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.864 -7.452 -9.151 1.00 0.00 H new ATOM 0 HE ARG A 20 6.350 -4.553 -9.587 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.629 -7.738 -10.946 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.148 -7.285 -12.573 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.026 -3.994 -11.680 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.934 -5.181 -12.985 1.00 0.00 H new ATOM 317 N VAL A 21 1.536 -9.864 -6.570 1.00 0.00 N ATOM 318 CA VAL A 21 1.535 -11.163 -5.904 1.00 0.00 C ATOM 319 C VAL A 21 0.795 -12.212 -6.731 1.00 0.00 C ATOM 320 O VAL A 21 -0.295 -11.955 -7.243 1.00 0.00 O ATOM 321 CB VAL A 21 0.889 -11.074 -4.509 1.00 0.00 C ATOM 322 CG1 VAL A 21 1.789 -10.317 -3.546 1.00 0.00 C ATOM 323 CG2 VAL A 21 -0.479 -10.414 -4.595 1.00 0.00 C ATOM 0 H VAL A 21 0.660 -9.629 -7.036 1.00 0.00 H new ATOM 0 HA VAL A 21 2.577 -11.464 -5.798 1.00 0.00 H new ATOM 0 HB VAL A 21 0.759 -12.087 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.313 -10.266 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.745 -10.834 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.956 -9.307 -3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.920 -10.360 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.373 -9.408 -5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.126 -11.001 -5.247 1.00 0.00 H new ATOM 333 N SER A 22 1.391 -13.396 -6.853 1.00 0.00 N ATOM 334 CA SER A 22 0.785 -14.486 -7.614 1.00 0.00 C ATOM 335 C SER A 22 0.331 -15.607 -6.684 1.00 0.00 C ATOM 336 O SER A 22 -0.718 -16.218 -6.895 1.00 0.00 O ATOM 337 CB SER A 22 1.777 -15.035 -8.643 1.00 0.00 C ATOM 338 OG SER A 22 1.579 -14.439 -9.914 1.00 0.00 O ATOM 0 H SER A 22 2.293 -13.625 -6.435 1.00 0.00 H new ATOM 0 HA SER A 22 -0.086 -14.091 -8.136 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.796 -14.848 -8.305 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.661 -16.116 -8.723 1.00 0.00 H new ATOM 0 HG SER A 22 2.226 -14.806 -10.552 1.00 0.00 H new ATOM 344 N TYR A 23 1.129 -15.872 -5.655 1.00 0.00 N ATOM 345 CA TYR A 23 0.815 -16.918 -4.687 1.00 0.00 C ATOM 346 C TYR A 23 -0.471 -16.596 -3.927 1.00 0.00 C ATOM 347 O TYR A 23 -0.997 -17.442 -3.205 1.00 0.00 O ATOM 348 CB TYR A 23 1.973 -17.101 -3.699 1.00 0.00 C ATOM 349 CG TYR A 23 3.165 -17.835 -4.277 1.00 0.00 C ATOM 350 CD1 TYR A 23 3.384 -17.884 -5.648 1.00 0.00 C ATOM 351 CD2 TYR A 23 4.075 -18.481 -3.445 1.00 0.00 C ATOM 352 CE1 TYR A 23 4.473 -18.556 -6.174 1.00 0.00 C ATOM 353 CE2 TYR A 23 5.165 -19.153 -3.963 1.00 0.00 C ATOM 354 CZ TYR A 23 5.360 -19.188 -5.328 1.00 0.00 C ATOM 355 OH TYR A 23 6.444 -19.858 -5.849 1.00 0.00 O ATOM 0 H TYR A 23 2.000 -15.376 -5.469 1.00 0.00 H new ATOM 0 HA TYR A 23 0.667 -17.847 -5.237 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.297 -16.121 -3.349 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.611 -17.646 -2.828 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.693 -17.389 -6.314 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.926 -18.456 -2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.628 -18.586 -7.242 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.861 -19.649 -3.302 1.00 0.00 H new ATOM 0 HH TYR A 23 6.970 -20.247 -5.119 1.00 0.00 H new ATOM 365 N ALA A 24 -0.958 -15.362 -4.091 1.00 0.00 N ATOM 366 CA ALA A 24 -2.177 -14.897 -3.424 1.00 0.00 C ATOM 367 C ALA A 24 -3.076 -16.052 -2.994 1.00 0.00 C ATOM 368 O ALA A 24 -3.958 -16.478 -3.739 1.00 0.00 O ATOM 369 CB ALA A 24 -2.954 -13.943 -4.319 1.00 0.00 C ATOM 0 H ALA A 24 -0.520 -14.660 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.860 -14.369 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.855 -13.611 -3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.333 -13.079 -4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.232 -14.454 -5.241 1.00 0.00 H new ATOM 375 N ARG A 25 -2.848 -16.547 -1.782 1.00 0.00 N ATOM 376 CA ARG A 25 -3.640 -17.643 -1.242 1.00 0.00 C ATOM 377 C ARG A 25 -5.054 -17.171 -0.923 1.00 0.00 C ATOM 378 O ARG A 25 -5.995 -17.455 -1.664 1.00 0.00 O ATOM 379 CB ARG A 25 -2.977 -18.204 0.017 1.00 0.00 C ATOM 380 CG ARG A 25 -2.831 -19.715 0.007 1.00 0.00 C ATOM 381 CD ARG A 25 -3.773 -20.370 1.004 1.00 0.00 C ATOM 382 NE ARG A 25 -3.051 -21.129 2.021 1.00 0.00 N ATOM 383 CZ ARG A 25 -2.519 -20.583 3.110 1.00 0.00 C ATOM 384 NH1 ARG A 25 -2.604 -19.274 3.308 1.00 0.00 N ATOM 385 NH2 ARG A 25 -1.897 -21.346 3.998 1.00 0.00 N ATOM 0 H ARG A 25 -2.120 -16.205 -1.155 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.697 -18.432 -1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.991 -17.753 0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.563 -17.910 0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.036 -20.095 -0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.802 -19.984 0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.380 -19.604 1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.457 -21.033 0.475 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.949 -22.135 1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.078 -18.684 2.624 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.195 -18.857 4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.827 -22.352 3.846 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.489 -20.927 4.834 1.00 0.00 H new ATOM 399 N VAL A 26 -5.196 -16.441 0.178 1.00 0.00 N ATOM 400 CA VAL A 26 -6.496 -15.926 0.583 1.00 0.00 C ATOM 401 C VAL A 26 -7.285 -15.442 -0.626 1.00 0.00 C ATOM 402 O VAL A 26 -6.790 -14.647 -1.426 1.00 0.00 O ATOM 403 CB VAL A 26 -6.360 -14.766 1.589 1.00 0.00 C ATOM 404 CG1 VAL A 26 -5.510 -15.183 2.779 1.00 0.00 C ATOM 405 CG2 VAL A 26 -5.778 -13.534 0.914 1.00 0.00 C ATOM 0 H VAL A 26 -4.429 -16.194 0.803 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.027 -16.748 1.064 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.355 -14.514 1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.427 -14.350 3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.977 -16.031 3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.516 -15.468 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.691 -12.727 1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.792 -13.770 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.434 -13.220 0.102 1.00 0.00 H new ATOM 415 N SER A 27 -8.517 -15.920 -0.751 1.00 0.00 N ATOM 416 CA SER A 27 -9.377 -15.533 -1.863 1.00 0.00 C ATOM 417 C SER A 27 -9.586 -14.023 -1.876 1.00 0.00 C ATOM 418 O SER A 27 -9.796 -13.422 -2.931 1.00 0.00 O ATOM 419 CB SER A 27 -10.726 -16.246 -1.760 1.00 0.00 C ATOM 420 OG SER A 27 -10.557 -17.652 -1.726 1.00 0.00 O ATOM 0 H SER A 27 -8.943 -16.576 -0.096 1.00 0.00 H new ATOM 0 HA SER A 27 -8.891 -15.826 -2.793 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.247 -15.917 -0.861 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.352 -15.972 -2.609 1.00 0.00 H new ATOM 0 HG SER A 27 -11.433 -18.085 -1.658 1.00 0.00 H new ATOM 426 N GLU A 28 -9.520 -13.416 -0.696 1.00 0.00 N ATOM 427 CA GLU A 28 -9.695 -11.976 -0.559 1.00 0.00 C ATOM 428 C GLU A 28 -8.583 -11.383 0.298 1.00 0.00 C ATOM 429 O GLU A 28 -8.113 -12.016 1.244 1.00 0.00 O ATOM 430 CB GLU A 28 -11.057 -11.661 0.065 1.00 0.00 C ATOM 431 CG GLU A 28 -11.101 -11.882 1.569 1.00 0.00 C ATOM 432 CD GLU A 28 -12.329 -11.268 2.214 1.00 0.00 C ATOM 433 OE1 GLU A 28 -13.209 -10.781 1.474 1.00 0.00 O ATOM 434 OE2 GLU A 28 -12.411 -11.277 3.461 1.00 0.00 O ATOM 0 H GLU A 28 -9.346 -13.903 0.183 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.650 -11.530 -1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.315 -10.624 -0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.817 -12.283 -0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.083 -12.952 1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.206 -11.455 2.021 1.00 0.00 H new ATOM 441 N PHE A 29 -8.165 -10.168 -0.034 1.00 0.00 N ATOM 442 CA PHE A 29 -7.109 -9.498 0.714 1.00 0.00 C ATOM 443 C PHE A 29 -7.695 -8.462 1.666 1.00 0.00 C ATOM 444 O PHE A 29 -8.850 -8.063 1.529 1.00 0.00 O ATOM 445 CB PHE A 29 -6.123 -8.823 -0.242 1.00 0.00 C ATOM 446 CG PHE A 29 -5.990 -9.522 -1.565 1.00 0.00 C ATOM 447 CD1 PHE A 29 -6.124 -10.898 -1.653 1.00 0.00 C ATOM 448 CD2 PHE A 29 -5.729 -8.802 -2.719 1.00 0.00 C ATOM 449 CE1 PHE A 29 -6.000 -11.543 -2.869 1.00 0.00 C ATOM 450 CE2 PHE A 29 -5.604 -9.441 -3.938 1.00 0.00 C ATOM 451 CZ PHE A 29 -5.740 -10.815 -4.013 1.00 0.00 C ATOM 0 H PHE A 29 -8.540 -9.628 -0.814 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.580 -10.251 1.299 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.443 -7.796 -0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.144 -8.776 0.234 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.328 -11.473 -0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.622 -7.729 -2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.106 -12.616 -2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.400 -8.868 -4.831 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.643 -11.317 -4.964 1.00 0.00 H new ATOM 461 N ASP A 30 -6.891 -8.028 2.630 1.00 0.00 N ATOM 462 CA ASP A 30 -7.333 -7.036 3.599 1.00 0.00 C ATOM 463 C ASP A 30 -6.482 -5.775 3.509 1.00 0.00 C ATOM 464 O ASP A 30 -5.271 -5.812 3.726 1.00 0.00 O ATOM 465 CB ASP A 30 -7.279 -7.609 5.019 1.00 0.00 C ATOM 466 CG ASP A 30 -7.483 -9.111 5.047 1.00 0.00 C ATOM 467 OD1 ASP A 30 -6.482 -9.849 4.940 1.00 0.00 O ATOM 468 OD2 ASP A 30 -8.646 -9.550 5.178 1.00 0.00 O ATOM 0 H ASP A 30 -5.931 -8.348 2.760 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.365 -6.774 3.367 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.316 -7.368 5.468 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.044 -7.130 5.630 1.00 0.00 H new ATOM 473 N VAL A 31 -7.127 -4.658 3.195 1.00 0.00 N ATOM 474 CA VAL A 31 -6.440 -3.377 3.079 1.00 0.00 C ATOM 475 C VAL A 31 -7.032 -2.366 4.054 1.00 0.00 C ATOM 476 O VAL A 31 -8.227 -2.079 4.014 1.00 0.00 O ATOM 477 CB VAL A 31 -6.530 -2.820 1.646 1.00 0.00 C ATOM 478 CG1 VAL A 31 -5.572 -1.653 1.459 1.00 0.00 C ATOM 479 CG2 VAL A 31 -6.249 -3.917 0.631 1.00 0.00 C ATOM 0 H VAL A 31 -8.130 -4.614 3.015 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.390 -3.545 3.321 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.543 -2.453 1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.653 -1.276 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.825 -0.859 2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.551 -1.988 1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.317 -3.507 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.248 -4.316 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.981 -4.716 0.747 1.00 0.00 H new ATOM 489 N TYR A 32 -6.192 -1.839 4.937 1.00 0.00 N ATOM 490 CA TYR A 32 -6.640 -0.870 5.930 1.00 0.00 C ATOM 491 C TYR A 32 -5.667 0.297 6.034 1.00 0.00 C ATOM 492 O TYR A 32 -4.458 0.101 6.156 1.00 0.00 O ATOM 493 CB TYR A 32 -6.796 -1.557 7.288 1.00 0.00 C ATOM 494 CG TYR A 32 -7.655 -2.800 7.232 1.00 0.00 C ATOM 495 CD1 TYR A 32 -9.039 -2.707 7.144 1.00 0.00 C ATOM 496 CD2 TYR A 32 -7.084 -4.067 7.260 1.00 0.00 C ATOM 497 CE1 TYR A 32 -9.827 -3.839 7.088 1.00 0.00 C ATOM 498 CE2 TYR A 32 -7.866 -5.203 7.203 1.00 0.00 C ATOM 499 CZ TYR A 32 -9.238 -5.084 7.117 1.00 0.00 C ATOM 500 OH TYR A 32 -10.021 -6.214 7.059 1.00 0.00 O ATOM 0 H TYR A 32 -5.199 -2.066 4.986 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.605 -0.473 5.616 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.810 -1.822 7.669 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.233 -0.853 7.996 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.505 -1.733 7.119 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.011 -4.164 7.327 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.901 -3.749 7.022 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.406 -6.180 7.226 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.834 -6.023 6.546 1.00 0.00 H new ATOM 510 N PHE A 33 -6.201 1.514 5.981 1.00 0.00 N ATOM 511 CA PHE A 33 -5.373 2.711 6.066 1.00 0.00 C ATOM 512 C PHE A 33 -5.870 3.653 7.155 1.00 0.00 C ATOM 513 O PHE A 33 -7.021 4.090 7.137 1.00 0.00 O ATOM 514 CB PHE A 33 -5.334 3.433 4.716 1.00 0.00 C ATOM 515 CG PHE A 33 -6.691 3.707 4.133 1.00 0.00 C ATOM 516 CD1 PHE A 33 -7.468 2.673 3.635 1.00 0.00 C ATOM 517 CD2 PHE A 33 -7.190 5.000 4.079 1.00 0.00 C ATOM 518 CE1 PHE A 33 -8.714 2.922 3.093 1.00 0.00 C ATOM 519 CE2 PHE A 33 -8.436 5.255 3.538 1.00 0.00 C ATOM 520 CZ PHE A 33 -9.199 4.214 3.045 1.00 0.00 C ATOM 0 H PHE A 33 -7.200 1.696 5.880 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.362 2.398 6.328 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.803 4.378 4.835 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.761 2.832 4.010 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.095 1.660 3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.598 5.817 4.464 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.308 2.107 2.707 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.813 6.267 3.501 1.00 0.00 H new ATOM 0 HZ PHE A 33 -10.173 4.410 2.623 1.00 0.00 H new ATOM 530 N GLU A 34 -4.992 3.960 8.107 1.00 0.00 N ATOM 531 CA GLU A 34 -5.342 4.847 9.206 1.00 0.00 C ATOM 532 C GLU A 34 -4.221 5.835 9.506 1.00 0.00 C ATOM 533 O GLU A 34 -3.174 5.462 10.029 1.00 0.00 O ATOM 534 CB GLU A 34 -5.662 4.039 10.461 1.00 0.00 C ATOM 535 CG GLU A 34 -6.555 4.786 11.432 1.00 0.00 C ATOM 536 CD GLU A 34 -6.521 4.206 12.832 1.00 0.00 C ATOM 537 OE1 GLU A 34 -5.411 3.991 13.360 1.00 0.00 O ATOM 538 OE2 GLU A 34 -7.607 3.972 13.403 1.00 0.00 O ATOM 0 H GLU A 34 -4.036 3.607 8.137 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.224 5.411 8.903 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.147 3.107 10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.732 3.772 10.962 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.248 5.831 11.470 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.580 4.768 11.062 1.00 0.00 H new ATOM 545 N GLY A 35 -4.453 7.100 9.185 1.00 0.00 N ATOM 546 CA GLY A 35 -3.460 8.125 9.439 1.00 0.00 C ATOM 547 C GLY A 35 -2.045 7.666 9.140 1.00 0.00 C ATOM 548 O GLY A 35 -1.265 7.398 10.054 1.00 0.00 O ATOM 0 H GLY A 35 -5.313 7.436 8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.687 9.002 8.833 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.523 8.434 10.482 1.00 0.00 H new ATOM 552 N SER A 36 -1.709 7.599 7.859 1.00 0.00 N ATOM 553 CA SER A 36 -0.372 7.197 7.435 1.00 0.00 C ATOM 554 C SER A 36 -0.078 5.736 7.770 1.00 0.00 C ATOM 555 O SER A 36 1.037 5.261 7.559 1.00 0.00 O ATOM 556 CB SER A 36 0.675 8.095 8.093 1.00 0.00 C ATOM 557 OG SER A 36 0.064 9.192 8.750 1.00 0.00 O ATOM 0 H SER A 36 -2.345 7.818 7.092 1.00 0.00 H new ATOM 0 HA SER A 36 -0.327 7.305 6.351 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.257 7.516 8.810 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.371 8.461 7.338 1.00 0.00 H new ATOM 0 HG SER A 36 0.420 10.030 8.388 1.00 0.00 H new ATOM 563 N ASP A 37 -1.075 5.020 8.283 1.00 0.00 N ATOM 564 CA ASP A 37 -0.889 3.614 8.625 1.00 0.00 C ATOM 565 C ASP A 37 -1.526 2.715 7.572 1.00 0.00 C ATOM 566 O ASP A 37 -2.744 2.562 7.535 1.00 0.00 O ATOM 567 CB ASP A 37 -1.483 3.303 10.002 1.00 0.00 C ATOM 568 CG ASP A 37 -0.871 4.145 11.106 1.00 0.00 C ATOM 569 OD1 ASP A 37 0.308 3.912 11.443 1.00 0.00 O ATOM 570 OD2 ASP A 37 -1.569 5.035 11.635 1.00 0.00 O ATOM 0 H ASP A 37 -2.009 5.385 8.469 1.00 0.00 H new ATOM 0 HA ASP A 37 0.183 3.418 8.655 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.559 3.472 9.976 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.332 2.248 10.229 1.00 0.00 H new ATOM 575 N PHE A 38 -0.695 2.127 6.719 1.00 0.00 N ATOM 576 CA PHE A 38 -1.185 1.246 5.662 1.00 0.00 C ATOM 577 C PHE A 38 -0.901 -0.217 5.981 1.00 0.00 C ATOM 578 O PHE A 38 0.254 -0.641 6.013 1.00 0.00 O ATOM 579 CB PHE A 38 -0.551 1.611 4.319 1.00 0.00 C ATOM 580 CG PHE A 38 -1.054 0.769 3.179 1.00 0.00 C ATOM 581 CD1 PHE A 38 -2.193 1.137 2.481 1.00 0.00 C ATOM 582 CD2 PHE A 38 -0.388 -0.390 2.806 1.00 0.00 C ATOM 583 CE1 PHE A 38 -2.660 0.365 1.434 1.00 0.00 C ATOM 584 CE2 PHE A 38 -0.852 -1.165 1.759 1.00 0.00 C ATOM 585 CZ PHE A 38 -1.989 -0.786 1.072 1.00 0.00 C ATOM 0 H PHE A 38 0.318 2.243 6.737 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.265 1.382 5.599 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.751 2.660 4.103 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.531 1.502 4.393 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.722 2.037 2.758 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.502 -0.690 3.339 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.550 0.662 0.899 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.326 -2.066 1.479 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.352 -1.389 0.253 1.00 0.00 H new ATOM 595 N LYS A 39 -1.960 -0.985 6.213 1.00 0.00 N ATOM 596 CA LYS A 39 -1.819 -2.402 6.524 1.00 0.00 C ATOM 597 C LYS A 39 -2.417 -3.267 5.420 1.00 0.00 C ATOM 598 O LYS A 39 -3.625 -3.245 5.185 1.00 0.00 O ATOM 599 CB LYS A 39 -2.496 -2.725 7.857 1.00 0.00 C ATOM 600 CG LYS A 39 -2.379 -1.611 8.883 1.00 0.00 C ATOM 601 CD LYS A 39 -1.120 -1.761 9.721 1.00 0.00 C ATOM 602 CE LYS A 39 -1.453 -2.093 11.165 1.00 0.00 C ATOM 603 NZ LYS A 39 -0.772 -1.174 12.117 1.00 0.00 N ATOM 0 H LYS A 39 -2.923 -0.651 6.192 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.754 -2.623 6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.551 -2.934 7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.056 -3.634 8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.368 -0.646 8.376 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.254 -1.619 9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.493 -2.547 9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.543 -0.837 9.682 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.531 -2.034 11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.158 -3.120 11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.025 -1.434 13.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.258 -1.249 11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.072 -0.196 11.930 1.00 0.00 H new ATOM 617 N PHE A 40 -1.564 -4.035 4.753 1.00 0.00 N ATOM 618 CA PHE A 40 -2.006 -4.917 3.679 1.00 0.00 C ATOM 619 C PHE A 40 -1.827 -6.376 4.085 1.00 0.00 C ATOM 620 O PHE A 40 -0.702 -6.862 4.194 1.00 0.00 O ATOM 621 CB PHE A 40 -1.209 -4.626 2.405 1.00 0.00 C ATOM 622 CG PHE A 40 -1.622 -5.463 1.228 1.00 0.00 C ATOM 623 CD1 PHE A 40 -2.679 -5.072 0.422 1.00 0.00 C ATOM 624 CD2 PHE A 40 -0.948 -6.635 0.924 1.00 0.00 C ATOM 625 CE1 PHE A 40 -3.059 -5.836 -0.664 1.00 0.00 C ATOM 626 CE2 PHE A 40 -1.323 -7.403 -0.163 1.00 0.00 C ATOM 627 CZ PHE A 40 -2.380 -7.003 -0.958 1.00 0.00 C ATOM 0 H PHE A 40 -0.561 -4.065 4.937 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.064 -4.735 3.488 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.324 -3.573 2.148 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.150 -4.792 2.604 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.212 -4.160 0.645 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.121 -6.952 1.542 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.886 -5.522 -1.283 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.790 -8.315 -0.390 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.675 -7.601 -1.807 1.00 0.00 H new ATOM 637 N TYR A 41 -2.937 -7.069 4.329 1.00 0.00 N ATOM 638 CA TYR A 41 -2.881 -8.466 4.744 1.00 0.00 C ATOM 639 C TYR A 41 -3.391 -9.406 3.658 1.00 0.00 C ATOM 640 O TYR A 41 -4.595 -9.512 3.425 1.00 0.00 O ATOM 641 CB TYR A 41 -3.703 -8.666 6.018 1.00 0.00 C ATOM 642 CG TYR A 41 -3.180 -7.896 7.208 1.00 0.00 C ATOM 643 CD1 TYR A 41 -2.210 -8.442 8.038 1.00 0.00 C ATOM 644 CD2 TYR A 41 -3.656 -6.625 7.503 1.00 0.00 C ATOM 645 CE1 TYR A 41 -1.728 -7.745 9.128 1.00 0.00 C ATOM 646 CE2 TYR A 41 -3.179 -5.920 8.591 1.00 0.00 C ATOM 647 CZ TYR A 41 -2.216 -6.485 9.401 1.00 0.00 C ATOM 648 OH TYR A 41 -1.737 -5.787 10.486 1.00 0.00 O ATOM 0 H TYR A 41 -3.880 -6.688 4.247 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.835 -8.708 4.932 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.733 -8.365 5.826 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.722 -9.728 6.264 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.826 -9.429 7.827 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.411 -6.181 6.872 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.973 -8.184 9.763 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.558 -4.932 8.806 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.183 -4.916 10.537 1.00 0.00 H new ATOM 658 N ALA A 42 -2.464 -10.104 3.015 1.00 0.00 N ATOM 659 CA ALA A 42 -2.802 -11.062 1.970 1.00 0.00 C ATOM 660 C ALA A 42 -2.024 -12.352 2.189 1.00 0.00 C ATOM 661 O ALA A 42 -0.798 -12.367 2.081 1.00 0.00 O ATOM 662 CB ALA A 42 -2.519 -10.492 0.588 1.00 0.00 C ATOM 0 H ALA A 42 -1.464 -10.024 3.201 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.870 -11.274 2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.781 -11.230 -0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.113 -9.590 0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.460 -10.247 0.505 1.00 0.00 H new ATOM 668 N LYS A 43 -2.733 -13.432 2.509 1.00 0.00 N ATOM 669 CA LYS A 43 -2.083 -14.712 2.758 1.00 0.00 C ATOM 670 C LYS A 43 -0.845 -14.490 3.627 1.00 0.00 C ATOM 671 O LYS A 43 -0.649 -13.392 4.150 1.00 0.00 O ATOM 672 CB LYS A 43 -1.718 -15.382 1.429 1.00 0.00 C ATOM 673 CG LYS A 43 -0.355 -14.982 0.886 1.00 0.00 C ATOM 674 CD LYS A 43 -0.002 -15.770 -0.363 1.00 0.00 C ATOM 675 CE LYS A 43 1.495 -16.020 -0.457 1.00 0.00 C ATOM 676 NZ LYS A 43 1.843 -17.433 -0.150 1.00 0.00 N ATOM 0 H LYS A 43 -3.749 -13.445 2.601 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.764 -15.376 3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.741 -16.464 1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.479 -15.135 0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.351 -13.916 0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.405 -15.148 1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.532 -16.723 -0.356 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.338 -15.225 -1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.842 -15.771 -1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.017 -15.359 0.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.845 -17.600 -0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.676 -17.620 0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.251 -18.068 -0.723 1.00 0.00 H new ATOM 690 N PRO A 44 0.011 -15.510 3.811 1.00 0.00 N ATOM 691 CA PRO A 44 1.218 -15.374 4.634 1.00 0.00 C ATOM 692 C PRO A 44 1.962 -14.053 4.398 1.00 0.00 C ATOM 693 O PRO A 44 2.740 -13.611 5.243 1.00 0.00 O ATOM 694 CB PRO A 44 2.063 -16.563 4.185 1.00 0.00 C ATOM 695 CG PRO A 44 1.063 -17.608 3.829 1.00 0.00 C ATOM 696 CD PRO A 44 -0.124 -16.875 3.255 1.00 0.00 C ATOM 0 HA PRO A 44 0.990 -15.363 5.700 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.691 -16.306 3.332 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.728 -16.902 4.980 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.475 -18.310 3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.776 -18.187 4.707 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.103 -16.868 2.165 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.064 -17.339 3.553 1.00 0.00 H new ATOM 704 N TYR A 45 1.715 -13.427 3.248 1.00 0.00 N ATOM 705 CA TYR A 45 2.356 -12.162 2.904 1.00 0.00 C ATOM 706 C TYR A 45 1.804 -11.017 3.750 1.00 0.00 C ATOM 707 O TYR A 45 0.606 -10.736 3.728 1.00 0.00 O ATOM 708 CB TYR A 45 2.150 -11.845 1.421 1.00 0.00 C ATOM 709 CG TYR A 45 3.042 -12.638 0.492 1.00 0.00 C ATOM 710 CD1 TYR A 45 4.406 -12.745 0.731 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.521 -13.276 -0.627 1.00 0.00 C ATOM 712 CE1 TYR A 45 5.225 -13.467 -0.116 1.00 0.00 C ATOM 713 CE2 TYR A 45 3.333 -14.000 -1.479 1.00 0.00 C ATOM 714 CZ TYR A 45 4.683 -14.093 -1.219 1.00 0.00 C ATOM 715 OH TYR A 45 5.496 -14.813 -2.066 1.00 0.00 O ATOM 0 H TYR A 45 1.073 -13.778 2.538 1.00 0.00 H new ATOM 0 HA TYR A 45 3.422 -12.265 3.108 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.109 -12.037 1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.328 -10.782 1.259 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.834 -12.256 1.593 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.463 -13.205 -0.834 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.284 -13.541 0.085 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.912 -14.490 -2.344 1.00 0.00 H new ATOM 0 HH TYR A 45 4.958 -15.191 -2.793 1.00 0.00 H new ATOM 725 N PHE A 46 2.690 -10.358 4.489 1.00 0.00 N ATOM 726 CA PHE A 46 2.300 -9.237 5.341 1.00 0.00 C ATOM 727 C PHE A 46 3.011 -7.960 4.900 1.00 0.00 C ATOM 728 O PHE A 46 4.240 -7.894 4.905 1.00 0.00 O ATOM 729 CB PHE A 46 2.629 -9.551 6.802 1.00 0.00 C ATOM 730 CG PHE A 46 2.721 -8.336 7.684 1.00 0.00 C ATOM 731 CD1 PHE A 46 1.593 -7.831 8.311 1.00 0.00 C ATOM 732 CD2 PHE A 46 3.937 -7.705 7.891 1.00 0.00 C ATOM 733 CE1 PHE A 46 1.675 -6.720 9.128 1.00 0.00 C ATOM 734 CE2 PHE A 46 4.026 -6.592 8.705 1.00 0.00 C ATOM 735 CZ PHE A 46 2.894 -6.100 9.325 1.00 0.00 C ATOM 0 H PHE A 46 3.685 -10.580 4.516 1.00 0.00 H new ATOM 0 HA PHE A 46 1.225 -9.083 5.247 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.865 -10.219 7.200 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.576 -10.089 6.843 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.638 -8.312 8.159 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.825 -8.087 7.411 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.788 -6.337 9.612 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.979 -6.107 8.856 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.962 -5.231 9.963 1.00 0.00 H new ATOM 745 N LEU A 47 2.236 -6.951 4.508 1.00 0.00 N ATOM 746 CA LEU A 47 2.810 -5.688 4.054 1.00 0.00 C ATOM 747 C LEU A 47 2.351 -4.513 4.912 1.00 0.00 C ATOM 748 O LEU A 47 1.195 -4.093 4.845 1.00 0.00 O ATOM 749 CB LEU A 47 2.433 -5.423 2.594 1.00 0.00 C ATOM 750 CG LEU A 47 3.549 -5.655 1.570 1.00 0.00 C ATOM 751 CD1 LEU A 47 3.247 -4.914 0.276 1.00 0.00 C ATOM 752 CD2 LEU A 47 4.894 -5.213 2.132 1.00 0.00 C ATOM 0 H LEU A 47 1.217 -6.983 4.496 1.00 0.00 H new ATOM 0 HA LEU A 47 3.892 -5.778 4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.588 -6.060 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.093 -4.391 2.507 1.00 0.00 H new ATOM 0 HG LEU A 47 3.599 -6.722 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.050 -5.090 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.306 -5.275 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.169 -3.846 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.673 -5.386 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.855 -4.151 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.118 -5.785 3.033 1.00 0.00 H new ATOM 764 N ARG A 48 3.274 -3.970 5.699 1.00 0.00 N ATOM 765 CA ARG A 48 2.981 -2.823 6.550 1.00 0.00 C ATOM 766 C ARG A 48 3.865 -1.648 6.149 1.00 0.00 C ATOM 767 O ARG A 48 5.090 -1.722 6.243 1.00 0.00 O ATOM 768 CB ARG A 48 3.203 -3.170 8.023 1.00 0.00 C ATOM 769 CG ARG A 48 3.117 -1.965 8.947 1.00 0.00 C ATOM 770 CD ARG A 48 4.111 -2.070 10.090 1.00 0.00 C ATOM 771 NE ARG A 48 3.495 -2.618 11.294 1.00 0.00 N ATOM 772 CZ ARG A 48 4.089 -2.640 12.482 1.00 0.00 C ATOM 773 NH1 ARG A 48 5.313 -2.149 12.625 1.00 0.00 N ATOM 774 NH2 ARG A 48 3.459 -3.154 13.529 1.00 0.00 N ATOM 0 H ARG A 48 4.234 -4.307 5.765 1.00 0.00 H new ATOM 0 HA ARG A 48 1.934 -2.549 6.419 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.462 -3.908 8.330 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.182 -3.636 8.135 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.309 -1.055 8.379 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.107 -1.884 9.348 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.946 -2.702 9.789 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.520 -1.084 10.308 1.00 0.00 H new ATOM 0 HE ARG A 48 2.555 -3.006 11.219 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.801 -1.753 11.821 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.766 -2.167 13.539 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.518 -3.533 13.423 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.915 -3.171 14.441 1.00 0.00 H new ATOM 788 N LEU A 49 3.243 -0.572 5.681 1.00 0.00 N ATOM 789 CA LEU A 49 3.988 0.602 5.243 1.00 0.00 C ATOM 790 C LEU A 49 3.552 1.860 5.988 1.00 0.00 C ATOM 791 O LEU A 49 2.365 2.186 6.043 1.00 0.00 O ATOM 792 CB LEU A 49 3.806 0.794 3.736 1.00 0.00 C ATOM 793 CG LEU A 49 4.280 -0.377 2.874 1.00 0.00 C ATOM 794 CD1 LEU A 49 3.502 -0.436 1.568 1.00 0.00 C ATOM 795 CD2 LEU A 49 5.772 -0.267 2.604 1.00 0.00 C ATOM 0 H LEU A 49 2.230 -0.488 5.595 1.00 0.00 H new ATOM 0 HA LEU A 49 5.041 0.436 5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.750 0.972 3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.345 1.691 3.431 1.00 0.00 H new ATOM 0 HG LEU A 49 4.095 -1.302 3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.856 -1.277 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.441 -0.564 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.651 0.491 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.093 -1.108 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.979 0.666 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.315 -0.280 3.549 1.00 0.00 H new ATOM 807 N THR A 50 4.528 2.570 6.551 1.00 0.00 N ATOM 808 CA THR A 50 4.256 3.802 7.280 1.00 0.00 C ATOM 809 C THR A 50 4.468 5.013 6.378 1.00 0.00 C ATOM 810 O THR A 50 5.601 5.372 6.060 1.00 0.00 O ATOM 811 CB THR A 50 5.156 3.937 8.525 1.00 0.00 C ATOM 812 OG1 THR A 50 5.531 2.654 9.043 1.00 0.00 O ATOM 813 CG2 THR A 50 4.443 4.710 9.625 1.00 0.00 C ATOM 0 H THR A 50 5.514 2.311 6.515 1.00 0.00 H new ATOM 0 HA THR A 50 3.216 3.761 7.605 1.00 0.00 H new ATOM 0 HB THR A 50 6.051 4.474 8.212 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.356 2.626 10.007 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.096 4.793 10.493 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.191 5.707 9.264 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.531 4.184 9.906 1.00 0.00 H new ATOM 821 N LEU A 51 3.369 5.631 5.961 1.00 0.00 N ATOM 822 CA LEU A 51 3.431 6.794 5.083 1.00 0.00 C ATOM 823 C LEU A 51 3.979 8.016 5.816 1.00 0.00 C ATOM 824 O LEU A 51 3.497 8.380 6.888 1.00 0.00 O ATOM 825 CB LEU A 51 2.042 7.100 4.521 1.00 0.00 C ATOM 826 CG LEU A 51 1.293 5.891 3.956 1.00 0.00 C ATOM 827 CD1 LEU A 51 0.264 6.335 2.928 1.00 0.00 C ATOM 828 CD2 LEU A 51 2.269 4.899 3.343 1.00 0.00 C ATOM 0 H LEU A 51 2.424 5.346 6.217 1.00 0.00 H new ATOM 0 HA LEU A 51 4.110 6.561 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.437 7.547 5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.141 7.847 3.734 1.00 0.00 H new ATOM 0 HG LEU A 51 0.769 5.396 4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.259 5.463 2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.453 7.008 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.766 6.854 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.719 4.046 2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.820 5.382 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.968 4.557 4.106 1.00 0.00 H new ATOM 840 N PRO A 52 5.001 8.666 5.236 1.00 0.00 N ATOM 841 CA PRO A 52 5.625 9.856 5.827 1.00 0.00 C ATOM 842 C PRO A 52 4.612 10.964 6.097 1.00 0.00 C ATOM 843 O PRO A 52 4.854 11.856 6.911 1.00 0.00 O ATOM 844 CB PRO A 52 6.634 10.302 4.763 1.00 0.00 C ATOM 845 CG PRO A 52 6.907 9.080 3.956 1.00 0.00 C ATOM 846 CD PRO A 52 5.628 8.291 3.957 1.00 0.00 C ATOM 0 HA PRO A 52 6.078 9.639 6.794 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.227 11.102 4.144 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.546 10.685 5.220 1.00 0.00 H new ATOM 0 HG2 PRO A 52 7.204 9.341 2.940 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.723 8.501 4.388 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.995 8.549 3.108 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.816 7.219 3.900 1.00 0.00 H new ATOM 854 N GLY A 53 3.477 10.901 5.408 1.00 0.00 N ATOM 855 CA GLY A 53 2.442 11.904 5.587 1.00 0.00 C ATOM 856 C GLY A 53 1.195 11.342 6.242 1.00 0.00 C ATOM 857 O GLY A 53 1.283 10.552 7.182 1.00 0.00 O ATOM 0 H GLY A 53 3.255 10.173 4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.832 12.719 6.196 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.180 12.328 4.618 1.00 0.00 H new ATOM 861 N ARG A 54 0.030 11.752 5.748 1.00 0.00 N ATOM 862 CA ARG A 54 -1.242 11.283 6.292 1.00 0.00 C ATOM 863 C ARG A 54 -2.274 11.100 5.183 1.00 0.00 C ATOM 864 O ARG A 54 -2.386 11.933 4.284 1.00 0.00 O ATOM 865 CB ARG A 54 -1.776 12.269 7.333 1.00 0.00 C ATOM 866 CG ARG A 54 -1.226 13.677 7.182 1.00 0.00 C ATOM 867 CD ARG A 54 -0.206 13.989 8.264 1.00 0.00 C ATOM 868 NE ARG A 54 -0.479 15.268 8.916 1.00 0.00 N ATOM 869 CZ ARG A 54 -0.258 15.507 10.208 1.00 0.00 C ATOM 870 NH1 ARG A 54 0.251 14.563 10.991 1.00 0.00 N ATOM 871 NH2 ARG A 54 -0.545 16.696 10.718 1.00 0.00 N ATOM 0 H ARG A 54 -0.060 12.408 4.972 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.066 10.319 6.769 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.863 12.304 7.263 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.533 11.899 8.329 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.764 13.786 6.201 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.043 14.396 7.231 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.211 13.193 9.009 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.792 14.010 7.827 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.862 16.023 8.348 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.476 13.646 10.604 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.417 14.755 11.979 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.934 17.426 10.122 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.377 16.881 11.707 1.00 0.00 H new ATOM 885 N ILE A 55 -3.029 10.009 5.255 1.00 0.00 N ATOM 886 CA ILE A 55 -4.054 9.725 4.258 1.00 0.00 C ATOM 887 C ILE A 55 -5.435 9.666 4.898 1.00 0.00 C ATOM 888 O ILE A 55 -5.650 8.939 5.868 1.00 0.00 O ATOM 889 CB ILE A 55 -3.776 8.395 3.532 1.00 0.00 C ATOM 890 CG1 ILE A 55 -2.475 8.493 2.736 1.00 0.00 C ATOM 891 CG2 ILE A 55 -4.936 8.033 2.615 1.00 0.00 C ATOM 892 CD1 ILE A 55 -2.361 7.458 1.638 1.00 0.00 C ATOM 0 H ILE A 55 -2.951 9.308 5.992 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.028 10.537 3.531 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.672 7.607 4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.401 9.488 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.632 8.383 3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.721 7.091 2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.847 7.930 3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.072 8.819 1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.414 7.586 1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.403 6.460 2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.184 7.582 0.934 1.00 0.00 H new ATOM 904 N VAL A 56 -6.366 10.449 4.360 1.00 0.00 N ATOM 905 CA VAL A 56 -7.723 10.494 4.894 1.00 0.00 C ATOM 906 C VAL A 56 -8.374 9.120 4.878 1.00 0.00 C ATOM 907 O VAL A 56 -7.994 8.246 4.100 1.00 0.00 O ATOM 908 CB VAL A 56 -8.609 11.484 4.113 1.00 0.00 C ATOM 909 CG1 VAL A 56 -8.441 11.286 2.615 1.00 0.00 C ATOM 910 CG2 VAL A 56 -10.069 11.330 4.517 1.00 0.00 C ATOM 0 H VAL A 56 -6.206 11.059 3.558 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.638 10.835 5.926 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.292 12.497 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.075 11.994 2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.399 11.453 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.728 10.269 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.679 12.037 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.401 10.314 4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.174 11.528 5.584 1.00 0.00 H new ATOM 920 N GLU A 57 -9.355 8.938 5.753 1.00 0.00 N ATOM 921 CA GLU A 57 -10.063 7.673 5.855 1.00 0.00 C ATOM 922 C GLU A 57 -11.564 7.865 5.654 1.00 0.00 C ATOM 923 O GLU A 57 -12.167 8.775 6.225 1.00 0.00 O ATOM 924 CB GLU A 57 -9.793 7.036 7.219 1.00 0.00 C ATOM 925 CG GLU A 57 -9.806 8.031 8.367 1.00 0.00 C ATOM 926 CD GLU A 57 -9.703 7.361 9.723 1.00 0.00 C ATOM 927 OE1 GLU A 57 -9.719 6.112 9.771 1.00 0.00 O ATOM 928 OE2 GLU A 57 -9.606 8.083 10.737 1.00 0.00 O ATOM 0 H GLU A 57 -9.678 9.655 6.403 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.699 7.012 5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.543 6.267 7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.824 6.537 7.192 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.977 8.729 8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.724 8.617 8.324 1.00 0.00 H new ATOM 935 N ASN A 58 -12.159 7.003 4.835 1.00 0.00 N ATOM 936 CA ASN A 58 -13.590 7.072 4.551 1.00 0.00 C ATOM 937 C ASN A 58 -14.080 5.780 3.905 1.00 0.00 C ATOM 938 O ASN A 58 -15.186 5.313 4.183 1.00 0.00 O ATOM 939 CB ASN A 58 -13.894 8.254 3.629 1.00 0.00 C ATOM 940 CG ASN A 58 -15.321 8.745 3.775 1.00 0.00 C ATOM 941 OD1 ASN A 58 -15.990 8.455 4.766 1.00 0.00 O ATOM 942 ND2 ASN A 58 -15.794 9.491 2.783 1.00 0.00 N ATOM 0 H ASN A 58 -11.672 6.246 4.355 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.113 7.210 5.497 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.207 9.071 3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.717 7.960 2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.748 9.849 2.824 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.203 9.706 1.980 1.00 0.00 H new ATOM 949 N GLY A 59 -13.251 5.212 3.036 1.00 0.00 N ATOM 950 CA GLY A 59 -13.612 3.983 2.352 1.00 0.00 C ATOM 951 C GLY A 59 -13.816 4.194 0.866 1.00 0.00 C ATOM 952 O GLY A 59 -13.884 3.234 0.099 1.00 0.00 O ATOM 0 H GLY A 59 -12.332 5.582 2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.830 3.239 2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.526 3.581 2.789 1.00 0.00 H new ATOM 956 N SER A 60 -13.905 5.457 0.460 1.00 0.00 N ATOM 957 CA SER A 60 -14.091 5.801 -0.945 1.00 0.00 C ATOM 958 C SER A 60 -12.851 5.433 -1.748 1.00 0.00 C ATOM 959 O SER A 60 -12.863 4.484 -2.533 1.00 0.00 O ATOM 960 CB SER A 60 -14.372 7.299 -1.084 1.00 0.00 C ATOM 961 OG SER A 60 -15.691 7.533 -1.546 1.00 0.00 O ATOM 0 H SER A 60 -13.851 6.261 1.086 1.00 0.00 H new ATOM 0 HA SER A 60 -14.941 5.239 -1.332 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.229 7.789 -0.121 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.657 7.743 -1.777 1.00 0.00 H new ATOM 0 HG SER A 60 -15.844 8.498 -1.624 1.00 0.00 H new ATOM 967 N GLU A 61 -11.777 6.183 -1.520 1.00 0.00 N ATOM 968 CA GLU A 61 -10.504 5.947 -2.192 1.00 0.00 C ATOM 969 C GLU A 61 -10.703 5.355 -3.587 1.00 0.00 C ATOM 970 O GLU A 61 -11.730 5.583 -4.229 1.00 0.00 O ATOM 971 CB GLU A 61 -9.643 5.010 -1.345 1.00 0.00 C ATOM 972 CG GLU A 61 -10.113 3.565 -1.376 1.00 0.00 C ATOM 973 CD GLU A 61 -9.036 2.590 -0.948 1.00 0.00 C ATOM 974 OE1 GLU A 61 -8.930 2.316 0.265 1.00 0.00 O ATOM 975 OE2 GLU A 61 -8.297 2.098 -1.828 1.00 0.00 O ATOM 0 H GLU A 61 -11.764 6.967 -0.868 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.001 6.907 -2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.613 5.057 -1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.643 5.362 -0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.978 3.455 -0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.442 3.316 -2.385 1.00 0.00 H new ATOM 982 N GLN A 62 -9.714 4.593 -4.048 1.00 0.00 N ATOM 983 CA GLN A 62 -9.779 3.964 -5.364 1.00 0.00 C ATOM 984 C GLN A 62 -8.866 2.743 -5.420 1.00 0.00 C ATOM 985 O GLN A 62 -7.901 2.646 -4.662 1.00 0.00 O ATOM 986 CB GLN A 62 -9.382 4.963 -6.454 1.00 0.00 C ATOM 987 CG GLN A 62 -10.569 5.634 -7.128 1.00 0.00 C ATOM 988 CD GLN A 62 -10.736 5.210 -8.575 1.00 0.00 C ATOM 989 OE1 GLN A 62 -9.806 5.317 -9.376 1.00 0.00 O ATOM 990 NE2 GLN A 62 -11.924 4.728 -8.919 1.00 0.00 N ATOM 0 H GLN A 62 -8.858 4.396 -3.529 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.806 3.642 -5.538 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.742 5.730 -6.017 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.790 4.447 -7.210 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.478 5.395 -6.576 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.444 6.716 -7.083 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.666 4.657 -8.223 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.094 4.429 -9.879 1.00 0.00 H new ATOM 999 N GLY A 63 -9.175 1.809 -6.315 1.00 0.00 N ATOM 1000 CA GLY A 63 -8.362 0.612 -6.433 1.00 0.00 C ATOM 1001 C GLY A 63 -8.663 -0.201 -7.678 1.00 0.00 C ATOM 1002 O GLY A 63 -9.721 -0.054 -8.290 1.00 0.00 O ATOM 0 H GLY A 63 -9.967 1.859 -6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.310 0.896 -6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.519 -0.013 -5.554 1.00 0.00 H new ATOM 1006 N SER A 64 -7.721 -1.065 -8.043 1.00 0.00 N ATOM 1007 CA SER A 64 -7.862 -1.924 -9.215 1.00 0.00 C ATOM 1008 C SER A 64 -6.913 -3.115 -9.112 1.00 0.00 C ATOM 1009 O SER A 64 -5.700 -2.945 -9.002 1.00 0.00 O ATOM 1010 CB SER A 64 -7.573 -1.133 -10.493 1.00 0.00 C ATOM 1011 OG SER A 64 -6.576 -0.152 -10.270 1.00 0.00 O ATOM 0 H SER A 64 -6.843 -1.190 -7.539 1.00 0.00 H new ATOM 0 HA SER A 64 -8.887 -2.291 -9.255 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.249 -1.814 -11.280 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.487 -0.654 -10.843 1.00 0.00 H new ATOM 0 HG SER A 64 -6.408 0.339 -11.102 1.00 0.00 H new ATOM 1017 N TYR A 65 -7.472 -4.322 -9.133 1.00 0.00 N ATOM 1018 CA TYR A 65 -6.668 -5.537 -9.028 1.00 0.00 C ATOM 1019 C TYR A 65 -6.818 -6.418 -10.269 1.00 0.00 C ATOM 1020 O TYR A 65 -7.932 -6.697 -10.713 1.00 0.00 O ATOM 1021 CB TYR A 65 -7.069 -6.322 -7.775 1.00 0.00 C ATOM 1022 CG TYR A 65 -6.596 -7.757 -7.777 1.00 0.00 C ATOM 1023 CD1 TYR A 65 -5.261 -8.066 -8.001 1.00 0.00 C ATOM 1024 CD2 TYR A 65 -7.485 -8.803 -7.559 1.00 0.00 C ATOM 1025 CE1 TYR A 65 -4.824 -9.377 -8.009 1.00 0.00 C ATOM 1026 CE2 TYR A 65 -7.055 -10.116 -7.563 1.00 0.00 C ATOM 1027 CZ TYR A 65 -5.724 -10.397 -7.789 1.00 0.00 C ATOM 1028 OH TYR A 65 -5.292 -11.703 -7.797 1.00 0.00 O ATOM 0 H TYR A 65 -8.475 -4.485 -9.221 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.621 -5.242 -8.953 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.666 -5.818 -6.897 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.155 -6.307 -7.680 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.553 -7.269 -8.172 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.528 -8.586 -7.384 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.783 -9.601 -8.187 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.757 -10.918 -7.390 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.050 -12.299 -7.625 1.00 0.00 H new ATOM 1038 N ASP A 66 -5.686 -6.860 -10.819 1.00 0.00 N ATOM 1039 CA ASP A 66 -5.685 -7.717 -12.001 1.00 0.00 C ATOM 1040 C ASP A 66 -5.052 -9.069 -11.683 1.00 0.00 C ATOM 1041 O ASP A 66 -3.935 -9.137 -11.170 1.00 0.00 O ATOM 1042 CB ASP A 66 -4.933 -7.047 -13.154 1.00 0.00 C ATOM 1043 CG ASP A 66 -4.135 -5.834 -12.715 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -3.034 -6.018 -12.155 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -4.610 -4.700 -12.935 1.00 0.00 O ATOM 0 H ASP A 66 -4.757 -6.637 -10.462 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.720 -7.876 -12.304 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.260 -7.772 -13.611 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.647 -6.747 -13.921 1.00 0.00 H new ATOM 1050 N ALA A 67 -5.775 -10.142 -11.987 1.00 0.00 N ATOM 1051 CA ALA A 67 -5.288 -11.492 -11.725 1.00 0.00 C ATOM 1052 C ALA A 67 -4.297 -11.950 -12.792 1.00 0.00 C ATOM 1053 O ALA A 67 -3.240 -12.496 -12.475 1.00 0.00 O ATOM 1054 CB ALA A 67 -6.446 -12.476 -11.635 1.00 0.00 C ATOM 0 H ALA A 67 -6.700 -10.103 -12.415 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.768 -11.467 -10.768 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.059 -13.476 -11.439 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.113 -12.180 -10.825 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.996 -12.478 -12.576 1.00 0.00 H new ATOM 1060 N ASP A 68 -4.647 -11.736 -14.055 1.00 0.00 N ATOM 1061 CA ASP A 68 -3.789 -12.140 -15.165 1.00 0.00 C ATOM 1062 C ASP A 68 -2.419 -11.476 -15.075 1.00 0.00 C ATOM 1063 O ASP A 68 -1.389 -12.141 -15.183 1.00 0.00 O ATOM 1064 CB ASP A 68 -4.448 -11.792 -16.500 1.00 0.00 C ATOM 1065 CG ASP A 68 -5.050 -13.005 -17.179 1.00 0.00 C ATOM 1066 OD1 ASP A 68 -4.298 -13.961 -17.463 1.00 0.00 O ATOM 1067 OD2 ASP A 68 -6.275 -13.000 -17.427 1.00 0.00 O ATOM 0 H ASP A 68 -5.518 -11.286 -14.337 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.651 -13.219 -15.103 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.227 -11.047 -16.335 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.709 -11.339 -17.160 1.00 0.00 H new ATOM 1072 N LYS A 69 -2.412 -10.161 -14.885 1.00 0.00 N ATOM 1073 CA LYS A 69 -1.164 -9.413 -14.791 1.00 0.00 C ATOM 1074 C LYS A 69 -0.507 -9.604 -13.427 1.00 0.00 C ATOM 1075 O LYS A 69 0.691 -9.369 -13.270 1.00 0.00 O ATOM 1076 CB LYS A 69 -1.414 -7.926 -15.043 1.00 0.00 C ATOM 1077 CG LYS A 69 -0.169 -7.069 -14.888 1.00 0.00 C ATOM 1078 CD LYS A 69 -0.334 -5.716 -15.561 1.00 0.00 C ATOM 1079 CE LYS A 69 -1.564 -4.985 -15.047 1.00 0.00 C ATOM 1080 NZ LYS A 69 -1.687 -3.620 -15.630 1.00 0.00 N ATOM 0 H LYS A 69 -3.254 -9.593 -14.793 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.487 -9.797 -15.554 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.811 -7.798 -16.050 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.178 -7.572 -14.351 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.045 -6.926 -13.829 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.687 -7.588 -15.319 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.553 -5.109 -15.382 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.414 -5.852 -16.639 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.456 -5.563 -15.287 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.515 -4.912 -13.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.539 -3.157 -15.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.848 -3.059 -15.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.760 -3.690 -16.665 1.00 0.00 H new ATOM 1094 N GLY A 70 -1.294 -10.028 -12.445 1.00 0.00 N ATOM 1095 CA GLY A 70 -0.762 -10.236 -11.110 1.00 0.00 C ATOM 1096 C GLY A 70 -0.242 -8.954 -10.487 1.00 0.00 C ATOM 1097 O GLY A 70 0.944 -8.837 -10.183 1.00 0.00 O ATOM 0 H GLY A 70 -2.288 -10.231 -12.548 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.541 -10.656 -10.473 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.044 -10.968 -11.153 1.00 0.00 H new ATOM 1101 N ILE A 71 -1.136 -7.986 -10.303 1.00 0.00 N ATOM 1102 CA ILE A 71 -0.759 -6.702 -9.719 1.00 0.00 C ATOM 1103 C ILE A 71 -1.954 -5.984 -9.104 1.00 0.00 C ATOM 1104 O ILE A 71 -2.995 -5.827 -9.743 1.00 0.00 O ATOM 1105 CB ILE A 71 -0.110 -5.775 -10.765 1.00 0.00 C ATOM 1106 CG1 ILE A 71 1.206 -6.375 -11.261 1.00 0.00 C ATOM 1107 CG2 ILE A 71 0.117 -4.389 -10.178 1.00 0.00 C ATOM 1108 CD1 ILE A 71 1.957 -5.478 -12.221 1.00 0.00 C ATOM 0 H ILE A 71 -2.123 -8.066 -10.549 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.037 -6.927 -8.934 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.786 -5.679 -11.615 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.844 -6.590 -10.403 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.000 -7.326 -11.751 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.576 -3.746 -10.929 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.838 -3.963 -9.871 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.776 -4.464 -9.313 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.880 -5.968 -12.531 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.338 -5.283 -13.097 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.195 -4.535 -11.728 1.00 0.00 H new ATOM 1120 N PHE A 72 -1.791 -5.541 -7.862 1.00 0.00 N ATOM 1121 CA PHE A 72 -2.847 -4.826 -7.160 1.00 0.00 C ATOM 1122 C PHE A 72 -2.452 -3.373 -6.935 1.00 0.00 C ATOM 1123 O PHE A 72 -1.549 -3.078 -6.151 1.00 0.00 O ATOM 1124 CB PHE A 72 -3.153 -5.491 -5.818 1.00 0.00 C ATOM 1125 CG PHE A 72 -4.013 -4.649 -4.919 1.00 0.00 C ATOM 1126 CD1 PHE A 72 -5.127 -3.994 -5.420 1.00 0.00 C ATOM 1127 CD2 PHE A 72 -3.706 -4.510 -3.576 1.00 0.00 C ATOM 1128 CE1 PHE A 72 -5.918 -3.216 -4.598 1.00 0.00 C ATOM 1129 CE2 PHE A 72 -4.495 -3.733 -2.748 1.00 0.00 C ATOM 1130 CZ PHE A 72 -5.602 -3.085 -3.260 1.00 0.00 C ATOM 0 H PHE A 72 -0.935 -5.666 -7.321 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.743 -4.858 -7.780 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.651 -6.444 -5.998 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.215 -5.713 -5.308 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.379 -4.093 -6.465 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.841 -5.014 -3.171 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.783 -2.710 -5.001 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.246 -3.633 -1.702 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.219 -2.477 -2.615 1.00 0.00 H new ATOM 1140 N THR A 73 -3.132 -2.469 -7.628 1.00 0.00 N ATOM 1141 CA THR A 73 -2.854 -1.046 -7.506 1.00 0.00 C ATOM 1142 C THR A 73 -3.980 -0.337 -6.767 1.00 0.00 C ATOM 1143 O THR A 73 -5.150 -0.474 -7.123 1.00 0.00 O ATOM 1144 CB THR A 73 -2.671 -0.385 -8.882 1.00 0.00 C ATOM 1145 OG1 THR A 73 -1.698 -1.082 -9.671 1.00 0.00 O ATOM 1146 CG2 THR A 73 -2.226 1.061 -8.730 1.00 0.00 C ATOM 0 H THR A 73 -3.881 -2.698 -8.281 1.00 0.00 H new ATOM 0 HA THR A 73 -1.926 -0.952 -6.942 1.00 0.00 H new ATOM 0 HB THR A 73 -3.637 -0.424 -9.386 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.604 -0.640 -10.541 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.103 1.509 -9.716 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.979 1.616 -8.170 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.277 1.095 -8.195 1.00 0.00 H new ATOM 1154 N ILE A 74 -3.623 0.418 -5.738 1.00 0.00 N ATOM 1155 CA ILE A 74 -4.613 1.141 -4.956 1.00 0.00 C ATOM 1156 C ILE A 74 -4.319 2.636 -4.929 1.00 0.00 C ATOM 1157 O ILE A 74 -3.203 3.070 -5.217 1.00 0.00 O ATOM 1158 CB ILE A 74 -4.679 0.613 -3.510 1.00 0.00 C ATOM 1159 CG1 ILE A 74 -5.993 1.036 -2.849 1.00 0.00 C ATOM 1160 CG2 ILE A 74 -3.487 1.114 -2.708 1.00 0.00 C ATOM 1161 CD1 ILE A 74 -6.423 0.127 -1.718 1.00 0.00 C ATOM 0 H ILE A 74 -2.660 0.545 -5.427 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.576 0.977 -5.441 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.642 -0.476 -3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.888 2.052 -2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.779 1.059 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.548 0.733 -1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.564 0.765 -3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.494 2.204 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.361 0.488 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.561 -0.885 -2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.656 0.123 -0.943 1.00 0.00 H new ATOM 1173 N ARG A 75 -5.329 3.415 -4.559 1.00 0.00 N ATOM 1174 CA ARG A 75 -5.204 4.864 -4.462 1.00 0.00 C ATOM 1175 C ARG A 75 -5.810 5.322 -3.149 1.00 0.00 C ATOM 1176 O ARG A 75 -6.839 4.798 -2.725 1.00 0.00 O ATOM 1177 CB ARG A 75 -5.909 5.551 -5.635 1.00 0.00 C ATOM 1178 CG ARG A 75 -5.555 4.966 -6.993 1.00 0.00 C ATOM 1179 CD ARG A 75 -5.564 6.031 -8.081 1.00 0.00 C ATOM 1180 NE ARG A 75 -6.749 6.884 -8.007 1.00 0.00 N ATOM 1181 CZ ARG A 75 -7.170 7.649 -9.010 1.00 0.00 C ATOM 1182 NH1 ARG A 75 -6.529 7.640 -10.171 1.00 0.00 N ATOM 1183 NH2 ARG A 75 -8.240 8.419 -8.858 1.00 0.00 N ATOM 0 H ARG A 75 -6.255 3.061 -4.319 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.149 5.136 -4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.987 5.481 -5.490 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.655 6.611 -5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.570 4.503 -6.945 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.265 4.179 -7.247 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.669 6.647 -7.992 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.525 5.550 -9.058 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.283 6.893 -7.138 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.710 7.045 -10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.855 8.228 -10.938 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.742 8.425 -7.970 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.561 9.005 -9.629 1.00 0.00 H new ATOM 1197 N LEU A 76 -5.174 6.285 -2.497 1.00 0.00 N ATOM 1198 CA LEU A 76 -5.668 6.779 -1.225 1.00 0.00 C ATOM 1199 C LEU A 76 -5.607 8.303 -1.163 1.00 0.00 C ATOM 1200 O LEU A 76 -4.565 8.904 -1.424 1.00 0.00 O ATOM 1201 CB LEU A 76 -4.845 6.172 -0.092 1.00 0.00 C ATOM 1202 CG LEU A 76 -4.793 4.644 -0.072 1.00 0.00 C ATOM 1203 CD1 LEU A 76 -3.963 4.158 1.106 1.00 0.00 C ATOM 1204 CD2 LEU A 76 -6.197 4.062 -0.012 1.00 0.00 C ATOM 0 H LEU A 76 -4.321 6.736 -2.827 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.712 6.484 -1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.826 6.553 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.253 6.518 0.858 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.320 4.302 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.935 3.068 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.948 4.547 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.410 4.510 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.139 2.974 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.697 4.410 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.762 4.385 -0.886 1.00 0.00 H new ATOM 1216 N PRO A 77 -6.730 8.947 -0.809 1.00 0.00 N ATOM 1217 CA PRO A 77 -6.809 10.410 -0.706 1.00 0.00 C ATOM 1218 C PRO A 77 -5.933 10.958 0.419 1.00 0.00 C ATOM 1219 O PRO A 77 -5.700 10.282 1.426 1.00 0.00 O ATOM 1220 CB PRO A 77 -8.289 10.668 -0.407 1.00 0.00 C ATOM 1221 CG PRO A 77 -8.793 9.394 0.181 1.00 0.00 C ATOM 1222 CD PRO A 77 -8.008 8.297 -0.480 1.00 0.00 C ATOM 0 HA PRO A 77 -6.453 10.902 -1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.412 11.499 0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.835 10.927 -1.314 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.651 9.379 1.262 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.861 9.275 -0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.867 7.446 0.186 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.511 7.924 -1.372 1.00 0.00 H new ATOM 1230 N LYS A 78 -5.468 12.192 0.261 1.00 0.00 N ATOM 1231 CA LYS A 78 -4.637 12.823 1.278 1.00 0.00 C ATOM 1232 C LYS A 78 -5.475 13.744 2.155 1.00 0.00 C ATOM 1233 O LYS A 78 -6.510 14.256 1.725 1.00 0.00 O ATOM 1234 CB LYS A 78 -3.492 13.606 0.629 1.00 0.00 C ATOM 1235 CG LYS A 78 -2.784 12.847 -0.482 1.00 0.00 C ATOM 1236 CD LYS A 78 -1.291 12.732 -0.213 1.00 0.00 C ATOM 1237 CE LYS A 78 -0.527 12.335 -1.467 1.00 0.00 C ATOM 1238 NZ LYS A 78 0.660 13.207 -1.692 1.00 0.00 N ATOM 0 H LYS A 78 -5.651 12.772 -0.557 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.209 12.040 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.885 14.539 0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.765 13.871 1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.216 11.851 -0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.946 13.356 -1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.913 13.684 0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.117 11.993 0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.205 11.297 -1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.190 12.394 -2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.739 13.431 -2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.552 14.088 -1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.519 12.711 -1.379 1.00 0.00 H new ATOM 1252 N GLU A 79 -5.024 13.950 3.385 1.00 0.00 N ATOM 1253 CA GLU A 79 -5.735 14.807 4.325 1.00 0.00 C ATOM 1254 C GLU A 79 -5.380 16.275 4.107 1.00 0.00 C ATOM 1255 O GLU A 79 -5.985 17.163 4.707 1.00 0.00 O ATOM 1256 CB GLU A 79 -5.410 14.390 5.761 1.00 0.00 C ATOM 1257 CG GLU A 79 -5.684 15.472 6.792 1.00 0.00 C ATOM 1258 CD GLU A 79 -6.020 14.903 8.156 1.00 0.00 C ATOM 1259 OE1 GLU A 79 -6.735 13.879 8.212 1.00 0.00 O ATOM 1260 OE2 GLU A 79 -5.570 15.479 9.168 1.00 0.00 O ATOM 0 H GLU A 79 -4.169 13.535 3.756 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.805 14.691 4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.994 13.505 6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.359 14.105 5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.810 16.118 6.877 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.509 16.096 6.449 1.00 0.00 H new ATOM 1267 N THR A 80 -4.399 16.525 3.243 1.00 0.00 N ATOM 1268 CA THR A 80 -3.974 17.889 2.949 1.00 0.00 C ATOM 1269 C THR A 80 -3.304 17.984 1.582 1.00 0.00 C ATOM 1270 O THR A 80 -2.178 17.524 1.396 1.00 0.00 O ATOM 1271 CB THR A 80 -2.996 18.419 4.013 1.00 0.00 C ATOM 1272 OG1 THR A 80 -3.626 18.524 5.296 1.00 0.00 O ATOM 1273 CG2 THR A 80 -2.467 19.789 3.621 1.00 0.00 C ATOM 0 H THR A 80 -3.886 15.803 2.737 1.00 0.00 H new ATOM 0 HA THR A 80 -4.878 18.499 2.953 1.00 0.00 H new ATOM 0 HB THR A 80 -2.174 17.706 4.074 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.553 18.213 5.232 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.778 20.145 4.386 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.945 19.718 2.667 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.299 20.487 3.528 1.00 0.00 H new ATOM 1281 N PRO A 81 -3.994 18.595 0.608 1.00 0.00 N ATOM 1282 CA PRO A 81 -3.468 18.764 -0.750 1.00 0.00 C ATOM 1283 C PRO A 81 -2.106 19.454 -0.755 1.00 0.00 C ATOM 1284 O PRO A 81 -1.810 20.267 0.121 1.00 0.00 O ATOM 1285 CB PRO A 81 -4.515 19.649 -1.433 1.00 0.00 C ATOM 1286 CG PRO A 81 -5.768 19.430 -0.657 1.00 0.00 C ATOM 1287 CD PRO A 81 -5.339 19.173 0.760 1.00 0.00 C ATOM 0 HA PRO A 81 -3.311 17.808 -1.249 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.218 20.698 -1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.645 19.372 -2.479 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.420 20.301 -0.715 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.330 18.584 -1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.318 20.091 1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.017 18.486 1.267 1.00 0.00 H new ATOM 1295 N GLY A 82 -1.283 19.127 -1.746 1.00 0.00 N ATOM 1296 CA GLY A 82 0.034 19.730 -1.845 1.00 0.00 C ATOM 1297 C GLY A 82 1.095 18.957 -1.083 1.00 0.00 C ATOM 1298 O GLY A 82 2.282 19.274 -1.171 1.00 0.00 O ATOM 0 H GLY A 82 -1.504 18.456 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.321 19.794 -2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.009 20.750 -1.464 1.00 0.00 H new ATOM 1302 N GLN A 83 0.672 17.944 -0.333 1.00 0.00 N ATOM 1303 CA GLN A 83 1.599 17.133 0.448 1.00 0.00 C ATOM 1304 C GLN A 83 2.274 16.076 -0.420 1.00 0.00 C ATOM 1305 O GLN A 83 1.624 15.409 -1.225 1.00 0.00 O ATOM 1306 CB GLN A 83 0.869 16.458 1.608 1.00 0.00 C ATOM 1307 CG GLN A 83 1.801 15.767 2.589 1.00 0.00 C ATOM 1308 CD GLN A 83 1.123 15.442 3.905 1.00 0.00 C ATOM 1309 OE1 GLN A 83 -0.065 15.712 4.088 1.00 0.00 O ATOM 1310 NE2 GLN A 83 1.877 14.862 4.831 1.00 0.00 N ATOM 0 H GLN A 83 -0.306 17.666 -0.250 1.00 0.00 H new ATOM 0 HA GLN A 83 2.368 17.796 0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.282 17.205 2.142 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.167 15.726 1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.177 14.847 2.141 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.664 16.406 2.777 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.857 14.657 4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.476 14.622 5.738 1.00 0.00 H new ATOM 1319 N HIS A 84 3.585 15.932 -0.252 1.00 0.00 N ATOM 1320 CA HIS A 84 4.353 14.960 -1.020 1.00 0.00 C ATOM 1321 C HIS A 84 5.120 14.012 -0.102 1.00 0.00 C ATOM 1322 O HIS A 84 5.978 14.439 0.672 1.00 0.00 O ATOM 1323 CB HIS A 84 5.325 15.682 -1.955 1.00 0.00 C ATOM 1324 CG HIS A 84 5.577 14.951 -3.236 1.00 0.00 C ATOM 1325 ND1 HIS A 84 6.762 14.301 -3.513 1.00 0.00 N ATOM 1326 CD2 HIS A 84 4.785 14.763 -4.319 1.00 0.00 C ATOM 1327 CE1 HIS A 84 6.688 13.747 -4.711 1.00 0.00 C ATOM 1328 NE2 HIS A 84 5.500 14.013 -5.219 1.00 0.00 N ATOM 0 H HIS A 84 4.137 16.477 0.410 1.00 0.00 H new ATOM 0 HA HIS A 84 3.654 14.368 -1.611 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.930 16.672 -2.183 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.273 15.829 -1.437 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.779 15.134 -4.450 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.467 13.174 -5.192 1.00 0.00 H new ATOM 0 HE2 HIS A 84 5.166 13.710 -6.134 1.00 0.00 H new ATOM 1337 N PHE A 85 4.809 12.719 -0.195 1.00 0.00 N ATOM 1338 CA PHE A 85 5.470 11.711 0.621 1.00 0.00 C ATOM 1339 C PHE A 85 6.858 11.396 0.071 1.00 0.00 C ATOM 1340 O PHE A 85 7.016 10.519 -0.780 1.00 0.00 O ATOM 1341 CB PHE A 85 4.626 10.437 0.661 1.00 0.00 C ATOM 1342 CG PHE A 85 3.256 10.633 1.249 1.00 0.00 C ATOM 1343 CD1 PHE A 85 2.845 11.882 1.683 1.00 0.00 C ATOM 1344 CD2 PHE A 85 2.379 9.565 1.363 1.00 0.00 C ATOM 1345 CE1 PHE A 85 1.585 12.064 2.222 1.00 0.00 C ATOM 1346 CE2 PHE A 85 1.118 9.740 1.900 1.00 0.00 C ATOM 1347 CZ PHE A 85 0.720 10.992 2.331 1.00 0.00 C ATOM 0 H PHE A 85 4.102 12.349 -0.830 1.00 0.00 H new ATOM 0 HA PHE A 85 5.579 12.103 1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.524 10.048 -0.352 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.155 9.680 1.241 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.517 12.724 1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.685 8.585 1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.277 13.043 2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.444 8.900 1.983 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.265 11.132 2.752 1.00 0.00 H new ATOM 1357 N GLU A 86 7.859 12.125 0.552 1.00 0.00 N ATOM 1358 CA GLU A 86 9.235 11.936 0.101 1.00 0.00 C ATOM 1359 C GLU A 86 9.827 10.624 0.618 1.00 0.00 C ATOM 1360 O GLU A 86 9.224 9.931 1.436 1.00 0.00 O ATOM 1361 CB GLU A 86 10.104 13.108 0.569 1.00 0.00 C ATOM 1362 CG GLU A 86 10.488 14.072 -0.543 1.00 0.00 C ATOM 1363 CD GLU A 86 10.418 15.523 -0.106 1.00 0.00 C ATOM 1364 OE1 GLU A 86 11.344 15.978 0.596 1.00 0.00 O ATOM 1365 OE2 GLU A 86 9.435 16.204 -0.468 1.00 0.00 O ATOM 0 H GLU A 86 7.744 12.854 1.256 1.00 0.00 H new ATOM 0 HA GLU A 86 9.221 11.894 -0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.570 13.657 1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.012 12.715 1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.499 13.847 -0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.826 13.921 -1.395 1.00 0.00 H new ATOM 1372 N GLY A 87 11.023 10.308 0.131 1.00 0.00 N ATOM 1373 CA GLY A 87 11.723 9.099 0.541 1.00 0.00 C ATOM 1374 C GLY A 87 10.808 7.914 0.796 1.00 0.00 C ATOM 1375 O GLY A 87 11.025 7.158 1.743 1.00 0.00 O ATOM 0 H GLY A 87 11.528 10.875 -0.550 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.444 8.829 -0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.290 9.309 1.448 1.00 0.00 H new ATOM 1379 N LEU A 88 9.789 7.741 -0.039 1.00 0.00 N ATOM 1380 CA LEU A 88 8.863 6.626 0.133 1.00 0.00 C ATOM 1381 C LEU A 88 9.587 5.288 0.005 1.00 0.00 C ATOM 1382 O LEU A 88 9.610 4.502 0.952 1.00 0.00 O ATOM 1383 CB LEU A 88 7.728 6.708 -0.884 1.00 0.00 C ATOM 1384 CG LEU A 88 6.348 6.991 -0.286 1.00 0.00 C ATOM 1385 CD1 LEU A 88 5.254 6.688 -1.298 1.00 0.00 C ATOM 1386 CD2 LEU A 88 6.145 6.178 0.983 1.00 0.00 C ATOM 0 H LEU A 88 9.584 8.349 -0.832 1.00 0.00 H new ATOM 0 HA LEU A 88 8.441 6.694 1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.962 7.490 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.684 5.768 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 88 6.292 8.049 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.280 6.895 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.391 7.313 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.305 5.638 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.159 6.390 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.220 5.116 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.910 6.445 1.712 1.00 0.00 H new ATOM 1398 N ASN A 89 10.173 5.021 -1.165 1.00 0.00 N ATOM 1399 CA ASN A 89 10.885 3.766 -1.393 1.00 0.00 C ATOM 1400 C ASN A 89 12.295 3.800 -0.804 1.00 0.00 C ATOM 1401 O ASN A 89 13.120 2.934 -1.094 1.00 0.00 O ATOM 1402 CB ASN A 89 10.961 3.471 -2.892 1.00 0.00 C ATOM 1403 CG ASN A 89 9.929 2.453 -3.338 1.00 0.00 C ATOM 1404 OD1 ASN A 89 9.245 2.647 -4.343 1.00 0.00 O ATOM 1405 ND2 ASN A 89 9.812 1.361 -2.592 1.00 0.00 N ATOM 0 H ASN A 89 10.167 5.655 -1.964 1.00 0.00 H new ATOM 0 HA ASN A 89 10.328 2.976 -0.890 1.00 0.00 H new ATOM 0 HB2 ASN A 89 10.817 4.397 -3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.958 3.104 -3.136 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.134 0.641 -2.844 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.400 1.242 -1.767 1.00 0.00 H new ATOM 1412 N MET A 90 12.556 4.787 0.045 1.00 0.00 N ATOM 1413 CA MET A 90 13.851 4.913 0.697 1.00 0.00 C ATOM 1414 C MET A 90 13.681 4.739 2.201 1.00 0.00 C ATOM 1415 O MET A 90 14.569 4.236 2.888 1.00 0.00 O ATOM 1416 CB MET A 90 14.491 6.269 0.383 1.00 0.00 C ATOM 1417 CG MET A 90 14.135 7.366 1.373 1.00 0.00 C ATOM 1418 SD MET A 90 15.232 7.394 2.803 1.00 0.00 S ATOM 1419 CE MET A 90 16.810 7.712 2.016 1.00 0.00 C ATOM 0 H MET A 90 11.885 5.513 0.298 1.00 0.00 H new ATOM 0 HA MET A 90 14.514 4.136 0.317 1.00 0.00 H new ATOM 0 HB2 MET A 90 15.574 6.151 0.361 1.00 0.00 H new ATOM 0 HB3 MET A 90 14.184 6.581 -0.615 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.176 8.332 0.869 1.00 0.00 H new ATOM 0 HG3 MET A 90 13.108 7.226 1.711 1.00 0.00 H new ATOM 0 HE1 MET A 90 17.363 8.452 2.595 1.00 0.00 H new ATOM 0 HE2 MET A 90 17.385 6.787 1.966 1.00 0.00 H new ATOM 0 HE3 MET A 90 16.644 8.090 1.007 1.00 0.00 H new ATOM 1429 N LEU A 91 12.516 5.147 2.696 1.00 0.00 N ATOM 1430 CA LEU A 91 12.197 5.029 4.109 1.00 0.00 C ATOM 1431 C LEU A 91 12.423 3.592 4.575 1.00 0.00 C ATOM 1432 O LEU A 91 12.749 2.720 3.768 1.00 0.00 O ATOM 1433 CB LEU A 91 10.746 5.474 4.348 1.00 0.00 C ATOM 1434 CG LEU A 91 9.754 4.362 4.695 1.00 0.00 C ATOM 1435 CD1 LEU A 91 8.364 4.941 4.910 1.00 0.00 C ATOM 1436 CD2 LEU A 91 9.733 3.306 3.599 1.00 0.00 C ATOM 0 H LEU A 91 11.775 5.564 2.133 1.00 0.00 H new ATOM 0 HA LEU A 91 12.853 5.677 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.739 6.205 5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.391 5.985 3.453 1.00 0.00 H new ATOM 0 HG LEU A 91 10.075 3.886 5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.669 4.138 5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.392 5.660 5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.033 5.441 3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.022 2.523 3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 91 9.434 3.765 2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 91 10.727 2.873 3.492 1.00 0.00 H new ATOM 1448 N THR A 92 12.261 3.345 5.870 1.00 0.00 N ATOM 1449 CA THR A 92 12.465 2.005 6.410 1.00 0.00 C ATOM 1450 C THR A 92 11.312 1.582 7.314 1.00 0.00 C ATOM 1451 O THR A 92 10.450 2.388 7.662 1.00 0.00 O ATOM 1452 CB THR A 92 13.785 1.916 7.201 1.00 0.00 C ATOM 1453 OG1 THR A 92 14.694 2.956 6.822 1.00 0.00 O ATOM 1454 CG2 THR A 92 14.465 0.576 6.968 1.00 0.00 C ATOM 0 H THR A 92 11.992 4.047 6.560 1.00 0.00 H new ATOM 0 HA THR A 92 12.511 1.329 5.557 1.00 0.00 H new ATOM 0 HB THR A 92 13.530 2.026 8.255 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.521 2.874 7.342 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.394 0.536 7.536 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.805 -0.228 7.294 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.683 0.458 5.907 1.00 0.00 H new ATOM 1462 N ALA A 93 11.309 0.305 7.689 1.00 0.00 N ATOM 1463 CA ALA A 93 10.269 -0.238 8.553 1.00 0.00 C ATOM 1464 C ALA A 93 10.748 -0.313 9.998 1.00 0.00 C ATOM 1465 O ALA A 93 11.908 -0.628 10.262 1.00 0.00 O ATOM 1466 CB ALA A 93 9.828 -1.614 8.075 1.00 0.00 C ATOM 0 H ALA A 93 12.017 -0.372 7.406 1.00 0.00 H new ATOM 0 HA ALA A 93 9.413 0.435 8.505 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.051 -1.997 8.737 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.436 -1.538 7.061 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.681 -2.293 8.085 1.00 0.00 H new ATOM 1472 N LEU A 94 9.846 -0.026 10.930 1.00 0.00 N ATOM 1473 CA LEU A 94 10.178 -0.063 12.348 1.00 0.00 C ATOM 1474 C LEU A 94 9.818 -1.418 12.952 1.00 0.00 C ATOM 1475 O LEU A 94 8.642 -1.756 13.085 1.00 0.00 O ATOM 1476 CB LEU A 94 9.443 1.052 13.093 1.00 0.00 C ATOM 1477 CG LEU A 94 8.090 1.447 12.498 1.00 0.00 C ATOM 1478 CD1 LEU A 94 7.128 1.871 13.596 1.00 0.00 C ATOM 1479 CD2 LEU A 94 8.257 2.564 11.479 1.00 0.00 C ATOM 0 H LEU A 94 8.881 0.234 10.729 1.00 0.00 H new ATOM 0 HA LEU A 94 11.253 0.088 12.451 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.291 0.739 14.126 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.083 1.934 13.118 1.00 0.00 H new ATOM 0 HG LEU A 94 7.674 0.577 11.990 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.171 2.148 13.154 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.981 1.044 14.290 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.541 2.725 14.132 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.283 2.830 11.068 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.697 3.436 11.964 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.911 2.228 10.674 1.00 0.00 H new ATOM 1491 N LEU A 95 10.837 -2.189 13.317 1.00 0.00 N ATOM 1492 CA LEU A 95 10.624 -3.504 13.909 1.00 0.00 C ATOM 1493 C LEU A 95 10.730 -3.438 15.430 1.00 0.00 C ATOM 1494 O LEU A 95 11.780 -3.093 15.974 1.00 0.00 O ATOM 1495 CB LEU A 95 11.638 -4.510 13.354 1.00 0.00 C ATOM 1496 CG LEU A 95 11.222 -5.202 12.053 1.00 0.00 C ATOM 1497 CD1 LEU A 95 10.309 -4.303 11.234 1.00 0.00 C ATOM 1498 CD2 LEU A 95 12.448 -5.595 11.243 1.00 0.00 C ATOM 0 H LEU A 95 11.817 -1.926 13.213 1.00 0.00 H new ATOM 0 HA LEU A 95 9.619 -3.835 13.647 1.00 0.00 H new ATOM 0 HB2 LEU A 95 12.584 -3.994 13.187 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.821 -5.273 14.111 1.00 0.00 H new ATOM 0 HG LEU A 95 10.671 -6.107 12.308 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.025 -4.814 10.314 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.414 -4.071 11.811 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.833 -3.379 10.989 1.00 0.00 H new ATOM 0 HD21 LEU A 95 12.134 -6.086 10.322 1.00 0.00 H new ATOM 0 HD22 LEU A 95 13.025 -4.703 11.000 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.065 -6.279 11.826 1.00 0.00 H new ATOM 1510 N ALA A 96 9.637 -3.767 16.110 1.00 0.00 N ATOM 1511 CA ALA A 96 9.605 -3.741 17.568 1.00 0.00 C ATOM 1512 C ALA A 96 9.760 -2.317 18.091 1.00 0.00 C ATOM 1513 O ALA A 96 8.726 -1.669 18.360 1.00 0.00 O ATOM 1514 CB ALA A 96 10.687 -4.637 18.154 1.00 0.00 C ATOM 1515 OXT ALA A 96 10.915 -1.860 18.230 1.00 0.00 O ATOM 0 H ALA A 96 8.761 -4.055 15.675 1.00 0.00 H new ATOM 0 HA ALA A 96 8.634 -4.122 17.884 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.641 -4.599 19.242 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.531 -5.663 17.820 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.666 -4.292 17.820 1.00 0.00 H new TER 1521 ALA A 96