USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 430 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 GLY N :NH3+ 161:sc= 0.884 (180deg=0.621) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0739 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0.938 (180deg=0.921) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 160:sc= 0.00166 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0245 K(o=-0.025,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.318 USER MOD Single : A 43 ASN : amide:sc= -0.0188 X(o=-0.019,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -125:sc= 1.56 (180deg=-0.369) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.832 -3.141 -3.012 1.00 0.00 N ATOM 2 CA GLY A 1 17.646 -2.495 -1.719 1.00 0.00 C ATOM 3 C GLY A 1 18.217 -1.082 -1.721 1.00 0.00 C ATOM 4 O GLY A 1 19.167 -0.785 -0.997 1.00 0.00 O ATOM 0 H1 GLY A 1 17.740 -4.171 -2.902 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.111 -2.798 -3.678 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.778 -2.916 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.584 -2.460 -1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.131 -3.085 -0.942 1.00 0.00 H new ATOM 10 N THR A 2 17.633 -0.215 -2.540 1.00 0.00 N ATOM 11 CA THR A 2 18.064 1.176 -2.619 1.00 0.00 C ATOM 12 C THR A 2 17.365 2.029 -1.569 1.00 0.00 C ATOM 13 O THR A 2 16.428 1.577 -0.912 1.00 0.00 O ATOM 14 CB THR A 2 17.796 1.773 -4.013 1.00 0.00 C ATOM 15 OG1 THR A 2 16.382 1.895 -4.219 1.00 0.00 O ATOM 16 CG2 THR A 2 18.387 0.885 -5.097 1.00 0.00 C ATOM 0 H THR A 2 16.858 -0.451 -3.160 1.00 0.00 H new ATOM 0 HA THR A 2 19.138 1.183 -2.432 1.00 0.00 H new ATOM 0 HB THR A 2 18.265 2.755 -4.067 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.212 2.277 -5.106 1.00 0.00 H new ATOM 0 HG21 THR A 2 18.188 1.323 -6.075 1.00 0.00 H new ATOM 0 HG22 THR A 2 19.464 0.799 -4.950 1.00 0.00 H new ATOM 0 HG23 THR A 2 17.934 -0.105 -5.044 1.00 0.00 H new ATOM 24 N ILE A 3 17.827 3.265 -1.416 1.00 0.00 N ATOM 25 CA ILE A 3 17.206 4.205 -0.490 1.00 0.00 C ATOM 26 C ILE A 3 15.765 4.499 -0.887 1.00 0.00 C ATOM 27 O ILE A 3 14.884 4.597 -0.033 1.00 0.00 O ATOM 28 CB ILE A 3 17.989 5.530 -0.421 1.00 0.00 C ATOM 29 CG1 ILE A 3 19.356 5.310 0.232 1.00 0.00 C ATOM 30 CG2 ILE A 3 17.194 6.578 0.342 1.00 0.00 C ATOM 31 CD1 ILE A 3 20.292 6.489 0.103 1.00 0.00 C ATOM 0 H ILE A 3 18.630 3.640 -1.922 1.00 0.00 H new ATOM 0 HA ILE A 3 17.220 3.733 0.493 1.00 0.00 H new ATOM 0 HB ILE A 3 18.148 5.892 -1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.211 5.087 1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 3 19.826 4.435 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.762 7.508 0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 3 16.244 6.754 -0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.005 6.225 1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.239 6.257 0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.468 6.700 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.845 7.362 0.578 1.00 0.00 H new ATOM 43 N ASP A 4 15.530 4.636 -2.187 1.00 0.00 N ATOM 44 CA ASP A 4 14.185 4.851 -2.705 1.00 0.00 C ATOM 45 C ASP A 4 13.295 3.641 -2.446 1.00 0.00 C ATOM 46 O ASP A 4 12.116 3.783 -2.123 1.00 0.00 O ATOM 47 CB ASP A 4 14.230 5.160 -4.203 1.00 0.00 C ATOM 48 CG ASP A 4 14.764 6.544 -4.546 1.00 0.00 C ATOM 49 OD1 ASP A 4 14.879 7.351 -3.653 1.00 0.00 O ATOM 50 OD2 ASP A 4 15.198 6.733 -5.656 1.00 0.00 O ATOM 0 H ASP A 4 16.256 4.602 -2.903 1.00 0.00 H new ATOM 0 HA ASP A 4 13.759 5.706 -2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 4 14.850 4.412 -4.697 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.225 5.061 -4.612 1.00 0.00 H new ATOM 55 N GLU A 5 13.867 2.451 -2.591 1.00 0.00 N ATOM 56 CA GLU A 5 13.144 1.215 -2.315 1.00 0.00 C ATOM 57 C GLU A 5 12.880 1.053 -0.824 1.00 0.00 C ATOM 58 O GLU A 5 11.885 0.449 -0.423 1.00 0.00 O ATOM 59 CB GLU A 5 13.923 0.009 -2.845 1.00 0.00 C ATOM 60 CG GLU A 5 13.964 -0.095 -4.364 1.00 0.00 C ATOM 61 CD GLU A 5 14.891 -1.191 -4.811 1.00 0.00 C ATOM 62 OE1 GLU A 5 15.608 -1.709 -3.989 1.00 0.00 O ATOM 63 OE2 GLU A 5 14.804 -1.587 -5.949 1.00 0.00 O ATOM 0 H GLU A 5 14.830 2.316 -2.898 1.00 0.00 H new ATOM 0 HA GLU A 5 12.183 1.269 -2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.945 0.058 -2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.478 -0.901 -2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.961 -0.286 -4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.290 0.855 -4.787 1.00 0.00 H new ATOM 70 N TRP A 6 13.776 1.595 -0.007 1.00 0.00 N ATOM 71 CA TRP A 6 13.591 1.598 1.439 1.00 0.00 C ATOM 72 C TRP A 6 12.431 2.496 1.846 1.00 0.00 C ATOM 73 O TRP A 6 11.629 2.138 2.708 1.00 0.00 O ATOM 74 CB TRP A 6 14.874 2.048 2.140 1.00 0.00 C ATOM 75 CG TRP A 6 15.996 1.059 2.031 1.00 0.00 C ATOM 76 CD1 TRP A 6 15.888 -0.262 1.716 1.00 0.00 C ATOM 77 CD2 TRP A 6 17.391 1.313 2.235 1.00 0.00 C ATOM 78 NE1 TRP A 6 17.130 -0.850 1.713 1.00 0.00 N ATOM 79 CE2 TRP A 6 18.069 0.099 2.028 1.00 0.00 C ATOM 80 CE3 TRP A 6 18.132 2.452 2.574 1.00 0.00 C ATOM 81 CZ2 TRP A 6 19.446 -0.012 2.149 1.00 0.00 C ATOM 82 CZ3 TRP A 6 19.512 2.340 2.693 1.00 0.00 C ATOM 83 CH2 TRP A 6 20.150 1.144 2.486 1.00 0.00 C ATOM 0 H TRP A 6 14.639 2.039 -0.322 1.00 0.00 H new ATOM 0 HA TRP A 6 13.356 0.579 1.747 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.196 2.999 1.715 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.659 2.226 3.194 1.00 0.00 H new ATOM 0 HD1 TRP A 6 14.961 -0.773 1.500 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.322 -1.831 1.510 1.00 0.00 H new ATOM 0 HE3 TRP A 6 17.640 3.399 2.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 19.951 -0.953 1.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 20.093 3.212 2.954 1.00 0.00 H new ATOM 0 HH2 TRP A 6 21.224 1.096 2.586 1.00 0.00 H new ATOM 94 N LEU A 7 12.346 3.665 1.220 1.00 0.00 N ATOM 95 CA LEU A 7 11.226 4.572 1.438 1.00 0.00 C ATOM 96 C LEU A 7 9.917 3.953 0.966 1.00 0.00 C ATOM 97 O LEU A 7 8.904 4.014 1.663 1.00 0.00 O ATOM 98 CB LEU A 7 11.475 5.905 0.721 1.00 0.00 C ATOM 99 CG LEU A 7 12.731 6.663 1.170 1.00 0.00 C ATOM 100 CD1 LEU A 7 13.126 7.689 0.117 1.00 0.00 C ATOM 101 CD2 LEU A 7 12.467 7.337 2.508 1.00 0.00 C ATOM 0 H LEU A 7 13.041 4.007 0.556 1.00 0.00 H new ATOM 0 HA LEU A 7 11.144 4.757 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.548 5.715 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.608 6.548 0.872 1.00 0.00 H new ATOM 0 HG LEU A 7 13.557 5.961 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.019 8.222 0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.332 7.182 -0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.311 8.399 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.360 7.875 2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.638 8.037 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.214 6.582 3.252 1.00 0.00 H new ATOM 113 N LEU A 8 9.943 3.357 -0.221 1.00 0.00 N ATOM 114 CA LEU A 8 8.770 2.684 -0.768 1.00 0.00 C ATOM 115 C LEU A 8 8.362 1.499 0.097 1.00 0.00 C ATOM 116 O LEU A 8 7.176 1.256 0.314 1.00 0.00 O ATOM 117 CB LEU A 8 9.044 2.227 -2.205 1.00 0.00 C ATOM 118 CG LEU A 8 8.040 1.215 -2.771 1.00 0.00 C ATOM 119 CD1 LEU A 8 6.624 1.764 -2.656 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.385 0.911 -4.221 1.00 0.00 C ATOM 0 H LEU A 8 10.765 3.326 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 8 7.944 3.395 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.056 3.104 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.041 1.788 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 8 8.094 0.290 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.918 1.038 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.391 1.952 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.548 2.695 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.671 0.192 -4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.342 1.830 -4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.390 0.493 -4.276 1.00 0.00 H new ATOM 132 N LYS A 9 9.354 0.763 0.590 1.00 0.00 N ATOM 133 CA LYS A 9 9.109 -0.317 1.537 1.00 0.00 C ATOM 134 C LYS A 9 8.340 0.181 2.755 1.00 0.00 C ATOM 135 O LYS A 9 7.471 -0.514 3.279 1.00 0.00 O ATOM 136 CB LYS A 9 10.427 -0.958 1.973 1.00 0.00 C ATOM 137 CG LYS A 9 10.272 -2.113 2.952 1.00 0.00 C ATOM 138 CD LYS A 9 11.623 -2.595 3.459 1.00 0.00 C ATOM 139 CE LYS A 9 12.406 -1.464 4.110 1.00 0.00 C ATOM 140 NZ LYS A 9 13.783 -1.884 4.485 1.00 0.00 N ATOM 0 H LYS A 9 10.336 0.896 0.348 1.00 0.00 H new ATOM 0 HA LYS A 9 8.500 -1.068 1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.953 -1.316 1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.055 -0.193 2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.657 -1.798 3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.749 -2.937 2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.477 -3.400 4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.198 -3.008 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.459 -0.618 3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.877 -1.121 4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.282 -1.085 4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.733 -2.674 5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.298 -2.187 3.633 1.00 0.00 H new ATOM 154 N GLU A 10 8.668 1.388 3.201 1.00 0.00 N ATOM 155 CA GLU A 10 7.949 2.021 4.301 1.00 0.00 C ATOM 156 C GLU A 10 6.586 2.527 3.848 1.00 0.00 C ATOM 157 O GLU A 10 5.620 2.503 4.611 1.00 0.00 O ATOM 158 CB GLU A 10 8.770 3.171 4.886 1.00 0.00 C ATOM 159 CG GLU A 10 10.016 2.734 5.642 1.00 0.00 C ATOM 160 CD GLU A 10 10.827 3.918 6.092 1.00 0.00 C ATOM 161 OE1 GLU A 10 10.454 5.023 5.778 1.00 0.00 O ATOM 162 OE2 GLU A 10 11.754 3.728 6.843 1.00 0.00 O ATOM 0 H GLU A 10 9.429 1.949 2.817 1.00 0.00 H new ATOM 0 HA GLU A 10 7.793 1.269 5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.066 3.838 4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.136 3.748 5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.728 2.138 6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.626 2.095 5.003 1.00 0.00 H new ATOM 169 N ALA A 11 6.514 2.986 2.603 1.00 0.00 N ATOM 170 CA ALA A 11 5.256 3.448 2.029 1.00 0.00 C ATOM 171 C ALA A 11 4.233 2.322 1.964 1.00 0.00 C ATOM 172 O ALA A 11 3.049 2.529 2.232 1.00 0.00 O ATOM 173 CB ALA A 11 5.491 4.036 0.645 1.00 0.00 C ATOM 0 H ALA A 11 7.313 3.048 1.972 1.00 0.00 H new ATOM 0 HA ALA A 11 4.855 4.227 2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.543 4.377 0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.178 4.879 0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.920 3.274 -0.006 1.00 0.00 H new ATOM 179 N LYS A 12 4.696 1.129 1.606 1.00 0.00 N ATOM 180 CA LYS A 12 3.818 -0.029 1.487 1.00 0.00 C ATOM 181 C LYS A 12 3.230 -0.416 2.838 1.00 0.00 C ATOM 182 O LYS A 12 2.030 -0.669 2.954 1.00 0.00 O ATOM 183 CB LYS A 12 4.574 -1.214 0.883 1.00 0.00 C ATOM 184 CG LYS A 12 4.999 -1.017 -0.565 1.00 0.00 C ATOM 185 CD LYS A 12 6.140 -1.952 -0.940 1.00 0.00 C ATOM 186 CE LYS A 12 6.474 -1.854 -2.420 1.00 0.00 C ATOM 187 NZ LYS A 12 7.488 -2.863 -2.830 1.00 0.00 N ATOM 0 H LYS A 12 5.675 0.939 1.393 1.00 0.00 H new ATOM 0 HA LYS A 12 2.997 0.242 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.461 -1.409 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.944 -2.101 0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.149 -1.196 -1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.308 0.017 -0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.023 -1.707 -0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.867 -2.978 -0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.566 -1.993 -3.007 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.847 -0.854 -2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.687 -2.762 -3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.364 -2.715 -2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.123 -3.818 -2.642 1.00 0.00 H new ATOM 201 N GLU A 13 4.081 -0.460 3.858 1.00 0.00 N ATOM 202 CA GLU A 13 3.654 -0.857 5.194 1.00 0.00 C ATOM 203 C GLU A 13 2.762 0.205 5.825 1.00 0.00 C ATOM 204 O GLU A 13 1.732 -0.110 6.419 1.00 0.00 O ATOM 205 CB GLU A 13 4.869 -1.121 6.087 1.00 0.00 C ATOM 206 CG GLU A 13 5.668 -2.361 5.711 1.00 0.00 C ATOM 207 CD GLU A 13 6.913 -2.482 6.544 1.00 0.00 C ATOM 208 OE1 GLU A 13 7.167 -1.602 7.331 1.00 0.00 O ATOM 209 OE2 GLU A 13 7.552 -3.506 6.477 1.00 0.00 O ATOM 0 H GLU A 13 5.071 -0.225 3.784 1.00 0.00 H new ATOM 0 HA GLU A 13 3.076 -1.776 5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.528 -0.254 6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.532 -1.220 7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.050 -3.249 5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.937 -2.317 4.656 1.00 0.00 H new ATOM 216 N LYS A 14 3.166 1.465 5.693 1.00 0.00 N ATOM 217 CA LYS A 14 2.510 2.557 6.402 1.00 0.00 C ATOM 218 C LYS A 14 1.102 2.790 5.871 1.00 0.00 C ATOM 219 O LYS A 14 0.180 3.078 6.636 1.00 0.00 O ATOM 220 CB LYS A 14 3.335 3.840 6.287 1.00 0.00 C ATOM 221 CG LYS A 14 4.584 3.865 7.158 1.00 0.00 C ATOM 222 CD LYS A 14 5.365 5.156 6.968 1.00 0.00 C ATOM 223 CE LYS A 14 4.522 6.372 7.318 1.00 0.00 C ATOM 224 NZ LYS A 14 5.219 7.646 6.993 1.00 0.00 N ATOM 0 H LYS A 14 3.945 1.754 5.101 1.00 0.00 H new ATOM 0 HA LYS A 14 2.435 2.277 7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.630 3.976 5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.704 4.688 6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.302 3.759 8.205 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.219 3.014 6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.258 5.138 7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.702 5.230 5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.578 6.327 6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.280 6.352 8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.610 8.450 7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.108 7.702 7.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.427 7.678 5.975 1.00 0.00 H new ATOM 238 N ALA A 15 0.941 2.666 4.558 1.00 0.00 N ATOM 239 CA ALA A 15 -0.295 3.068 3.897 1.00 0.00 C ATOM 240 C ALA A 15 -1.458 2.179 4.313 1.00 0.00 C ATOM 241 O ALA A 15 -2.566 2.660 4.552 1.00 0.00 O ATOM 242 CB ALA A 15 -0.119 3.043 2.385 1.00 0.00 C ATOM 0 H ALA A 15 1.652 2.290 3.930 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.526 4.087 4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.050 3.345 1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.676 3.731 2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.143 2.034 2.066 1.00 0.00 H new ATOM 248 N ILE A 16 -1.201 0.878 4.398 1.00 0.00 N ATOM 249 CA ILE A 16 -2.261 -0.102 4.603 1.00 0.00 C ATOM 250 C ILE A 16 -2.767 -0.074 6.039 1.00 0.00 C ATOM 251 O ILE A 16 -3.894 -0.482 6.319 1.00 0.00 O ATOM 252 CB ILE A 16 -1.788 -1.527 4.262 1.00 0.00 C ATOM 253 CG1 ILE A 16 -1.204 -1.571 2.848 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.935 -2.515 4.400 1.00 0.00 C ATOM 255 CD1 ILE A 16 -2.024 -0.821 1.824 1.00 0.00 C ATOM 0 H ILE A 16 -0.266 0.477 4.328 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.074 0.170 3.930 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.005 -1.811 4.966 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.197 -1.155 2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.113 -2.611 2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.583 -3.517 4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.306 -2.501 5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.739 -2.236 3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.546 -0.898 0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.024 -1.251 1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.094 0.228 2.112 1.00 0.00 H new ATOM 267 N GLU A 17 -1.928 0.409 6.948 1.00 0.00 N ATOM 268 CA GLU A 17 -2.312 0.554 8.347 1.00 0.00 C ATOM 269 C GLU A 17 -3.665 1.243 8.478 1.00 0.00 C ATOM 270 O GLU A 17 -4.453 0.920 9.366 1.00 0.00 O ATOM 271 CB GLU A 17 -1.247 1.338 9.117 1.00 0.00 C ATOM 272 CG GLU A 17 0.045 0.571 9.362 1.00 0.00 C ATOM 273 CD GLU A 17 -0.200 -0.659 10.191 1.00 0.00 C ATOM 274 OE1 GLU A 17 -0.820 -0.545 11.220 1.00 0.00 O ATOM 275 OE2 GLU A 17 0.135 -1.730 9.741 1.00 0.00 O ATOM 0 H GLU A 17 -0.975 0.708 6.740 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.395 -0.445 8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.015 2.249 8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.662 1.643 10.078 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.488 0.287 8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.763 1.216 9.868 1.00 0.00 H new ATOM 282 N GLU A 18 -3.928 2.192 7.586 1.00 0.00 N ATOM 283 CA GLU A 18 -5.227 2.851 7.531 1.00 0.00 C ATOM 284 C GLU A 18 -6.327 1.872 7.140 1.00 0.00 C ATOM 285 O GLU A 18 -7.429 1.910 7.687 1.00 0.00 O ATOM 286 CB GLU A 18 -5.193 4.022 6.546 1.00 0.00 C ATOM 287 CG GLU A 18 -4.310 5.184 6.981 1.00 0.00 C ATOM 288 CD GLU A 18 -4.200 6.221 5.899 1.00 0.00 C ATOM 289 OE1 GLU A 18 -4.696 5.985 4.823 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.720 7.294 6.179 1.00 0.00 O ATOM 0 H GLU A 18 -3.258 2.522 6.891 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.448 3.232 8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.844 3.658 5.580 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.209 4.388 6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.721 5.638 7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.317 4.814 7.235 1.00 0.00 H new ATOM 297 N LEU A 19 -6.019 0.993 6.192 1.00 0.00 N ATOM 298 CA LEU A 19 -6.970 -0.019 5.749 1.00 0.00 C ATOM 299 C LEU A 19 -7.300 -0.995 6.872 1.00 0.00 C ATOM 300 O LEU A 19 -8.443 -1.429 7.014 1.00 0.00 O ATOM 301 CB LEU A 19 -6.413 -0.774 4.535 1.00 0.00 C ATOM 302 CG LEU A 19 -6.878 -0.250 3.170 1.00 0.00 C ATOM 303 CD1 LEU A 19 -6.934 1.272 3.187 1.00 0.00 C ATOM 304 CD2 LEU A 19 -5.934 -0.743 2.086 1.00 0.00 C ATOM 0 H LEU A 19 -5.118 0.961 5.716 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.892 0.487 5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.324 -0.733 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.696 -1.823 4.619 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.879 -0.626 2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.265 1.635 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.634 1.602 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.943 1.670 3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.266 -0.370 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.926 -0.380 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.932 -1.833 2.074 1.00 0.00 H new ATOM 316 N LYS A 20 -6.293 -1.335 7.670 1.00 0.00 N ATOM 317 CA LYS A 20 -6.497 -2.162 8.851 1.00 0.00 C ATOM 318 C LYS A 20 -7.460 -1.499 9.828 1.00 0.00 C ATOM 319 O LYS A 20 -8.298 -2.165 10.437 1.00 0.00 O ATOM 320 CB LYS A 20 -5.162 -2.449 9.542 1.00 0.00 C ATOM 321 CG LYS A 20 -4.177 -3.247 8.700 1.00 0.00 C ATOM 322 CD LYS A 20 -2.920 -3.583 9.487 1.00 0.00 C ATOM 323 CE LYS A 20 -1.884 -4.271 8.610 1.00 0.00 C ATOM 324 NZ LYS A 20 -0.599 -4.484 9.331 1.00 0.00 N ATOM 0 H LYS A 20 -5.326 -1.049 7.519 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.937 -3.105 8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.700 -1.502 9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.355 -2.993 10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.651 -4.167 8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.910 -2.676 7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.496 -2.670 9.906 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.176 -4.230 10.326 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.274 -5.231 8.272 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.705 -3.669 7.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.044 -5.044 8.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.163 -3.564 9.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.780 -4.993 10.220 1.00 0.00 H new ATOM 338 N LYS A 21 -7.336 -0.185 9.975 1.00 0.00 N ATOM 339 CA LYS A 21 -8.274 0.589 10.778 1.00 0.00 C ATOM 340 C LYS A 21 -9.641 0.664 10.110 1.00 0.00 C ATOM 341 O LYS A 21 -10.664 0.809 10.780 1.00 0.00 O ATOM 342 CB LYS A 21 -7.733 1.999 11.025 1.00 0.00 C ATOM 343 CG LYS A 21 -6.532 2.056 11.959 1.00 0.00 C ATOM 344 CD LYS A 21 -5.996 3.475 12.085 1.00 0.00 C ATOM 345 CE LYS A 21 -4.759 3.524 12.970 1.00 0.00 C ATOM 346 NZ LYS A 21 -4.178 4.892 13.039 1.00 0.00 N ATOM 0 H LYS A 21 -6.593 0.367 9.547 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.389 0.081 11.735 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.455 2.441 10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.531 2.614 11.441 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.816 1.684 12.943 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.746 1.400 11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.753 3.863 11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.769 4.122 12.501 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.018 3.189 13.974 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.010 2.831 12.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.338 4.882 13.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.907 5.203 12.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.883 5.549 13.430 1.00 0.00 H new ATOM 360 N ALA A 22 -9.652 0.563 8.785 1.00 0.00 N ATOM 361 CA ALA A 22 -10.880 0.726 8.014 1.00 0.00 C ATOM 362 C ALA A 22 -11.668 -0.576 7.952 1.00 0.00 C ATOM 363 O ALA A 22 -12.792 -0.609 7.450 1.00 0.00 O ATOM 364 CB ALA A 22 -10.563 1.225 6.612 1.00 0.00 C ATOM 0 H ALA A 22 -8.824 0.369 8.222 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.499 1.468 8.518 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.489 1.342 6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.053 2.186 6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.919 0.505 6.106 1.00 0.00 H new ATOM 370 N GLY A 23 -11.072 -1.648 8.464 1.00 0.00 N ATOM 371 CA GLY A 23 -11.741 -2.942 8.522 1.00 0.00 C ATOM 372 C GLY A 23 -11.462 -3.762 7.269 1.00 0.00 C ATOM 373 O GLY A 23 -12.182 -4.715 6.965 1.00 0.00 O ATOM 0 H GLY A 23 -10.126 -1.646 8.845 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.403 -3.490 9.401 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.815 -2.794 8.632 1.00 0.00 H new ATOM 377 N ILE A 24 -10.413 -3.389 6.545 1.00 0.00 N ATOM 378 CA ILE A 24 -10.026 -4.100 5.332 1.00 0.00 C ATOM 379 C ILE A 24 -9.051 -5.229 5.641 1.00 0.00 C ATOM 380 O ILE A 24 -8.046 -5.024 6.322 1.00 0.00 O ATOM 381 CB ILE A 24 -9.390 -3.152 4.300 1.00 0.00 C ATOM 382 CG1 ILE A 24 -10.346 -2.004 3.967 1.00 0.00 C ATOM 383 CG2 ILE A 24 -9.009 -3.914 3.040 1.00 0.00 C ATOM 384 CD1 ILE A 24 -11.646 -2.454 3.340 1.00 0.00 C ATOM 0 H ILE A 24 -9.814 -2.597 6.777 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.939 -4.520 4.910 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.483 -2.729 4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.566 -1.451 4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.846 -1.313 3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.561 -3.228 2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.292 -4.696 3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.900 -4.365 2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.270 -1.585 3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.438 -2.981 2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.169 -3.121 4.025 1.00 0.00 H new ATOM 396 N THR A 25 -9.354 -6.420 5.137 1.00 0.00 N ATOM 397 CA THR A 25 -8.525 -7.592 5.390 1.00 0.00 C ATOM 398 C THR A 25 -8.109 -8.264 4.089 1.00 0.00 C ATOM 399 O THR A 25 -7.351 -9.234 4.094 1.00 0.00 O ATOM 400 CB THR A 25 -9.253 -8.620 6.277 1.00 0.00 C ATOM 401 OG1 THR A 25 -10.452 -9.054 5.622 1.00 0.00 O ATOM 402 CG2 THR A 25 -9.609 -8.005 7.622 1.00 0.00 C ATOM 0 H THR A 25 -10.169 -6.599 4.550 1.00 0.00 H new ATOM 0 HA THR A 25 -7.636 -7.239 5.914 1.00 0.00 H new ATOM 0 HB THR A 25 -8.591 -9.471 6.441 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.914 -9.709 6.186 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.123 -8.745 8.236 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.698 -7.683 8.127 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.261 -7.146 7.468 1.00 0.00 H new ATOM 410 N SER A 26 -8.611 -7.745 2.974 1.00 0.00 N ATOM 411 CA SER A 26 -8.341 -8.331 1.667 1.00 0.00 C ATOM 412 C SER A 26 -6.846 -8.370 1.377 1.00 0.00 C ATOM 413 O SER A 26 -6.225 -7.337 1.126 1.00 0.00 O ATOM 414 CB SER A 26 -9.067 -7.553 0.586 1.00 0.00 C ATOM 415 OG SER A 26 -8.834 -8.083 -0.691 1.00 0.00 O ATOM 0 H SER A 26 -9.208 -6.918 2.950 1.00 0.00 H new ATOM 0 HA SER A 26 -8.708 -9.358 1.674 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.137 -7.560 0.791 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.745 -6.512 0.610 1.00 0.00 H new ATOM 0 HG SER A 26 -9.538 -7.783 -1.303 1.00 0.00 H new ATOM 421 N ASP A 27 -6.273 -9.568 1.416 1.00 0.00 N ATOM 422 CA ASP A 27 -4.857 -9.750 1.116 1.00 0.00 C ATOM 423 C ASP A 27 -4.575 -9.531 -0.365 1.00 0.00 C ATOM 424 O ASP A 27 -3.462 -9.168 -0.747 1.00 0.00 O ATOM 425 CB ASP A 27 -4.394 -11.146 1.539 1.00 0.00 C ATOM 426 CG ASP A 27 -4.266 -11.337 3.044 1.00 0.00 C ATOM 427 OD1 ASP A 27 -4.296 -10.358 3.752 1.00 0.00 O ATOM 428 OD2 ASP A 27 -4.298 -12.461 3.485 1.00 0.00 O ATOM 0 H ASP A 27 -6.767 -10.428 1.653 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.298 -9.005 1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.098 -11.882 1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.429 -11.351 1.076 1.00 0.00 H new ATOM 433 N TYR A 28 -5.588 -9.754 -1.194 1.00 0.00 N ATOM 434 CA TYR A 28 -5.456 -9.566 -2.634 1.00 0.00 C ATOM 435 C TYR A 28 -4.967 -8.161 -2.963 1.00 0.00 C ATOM 436 O TYR A 28 -3.937 -7.989 -3.616 1.00 0.00 O ATOM 437 CB TYR A 28 -6.790 -9.834 -3.334 1.00 0.00 C ATOM 438 CG TYR A 28 -6.765 -9.568 -4.823 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.240 -10.499 -5.706 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.271 -8.384 -5.341 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.214 -10.260 -7.067 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.252 -8.135 -6.699 1.00 0.00 C ATOM 443 CZ TYR A 28 -6.722 -9.076 -7.560 1.00 0.00 C ATOM 444 OH TYR A 28 -6.701 -8.832 -8.914 1.00 0.00 O ATOM 0 H TYR A 28 -6.511 -10.066 -0.893 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.716 -10.279 -2.997 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.076 -10.872 -3.165 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.560 -9.213 -2.877 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.844 -11.428 -5.323 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.686 -7.646 -4.671 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.799 -10.995 -7.740 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.650 -7.209 -7.086 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.098 -7.954 -9.094 1.00 0.00 H new ATOM 454 N TYR A 29 -5.711 -7.159 -2.508 1.00 0.00 N ATOM 455 CA TYR A 29 -5.391 -5.769 -2.809 1.00 0.00 C ATOM 456 C TYR A 29 -4.139 -5.318 -2.066 1.00 0.00 C ATOM 457 O TYR A 29 -3.411 -4.443 -2.530 1.00 0.00 O ATOM 458 CB TYR A 29 -6.569 -4.859 -2.452 1.00 0.00 C ATOM 459 CG TYR A 29 -7.783 -5.057 -3.331 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.758 -4.700 -4.671 1.00 0.00 C ATOM 461 CD2 TYR A 29 -8.954 -5.598 -2.818 1.00 0.00 C ATOM 462 CE1 TYR A 29 -8.865 -4.879 -5.478 1.00 0.00 C ATOM 463 CE2 TYR A 29 -10.066 -5.782 -3.616 1.00 0.00 C ATOM 464 CZ TYR A 29 -10.017 -5.420 -4.947 1.00 0.00 C ATOM 465 OH TYR A 29 -11.123 -5.599 -5.747 1.00 0.00 O ATOM 0 H TYR A 29 -6.541 -7.284 -1.929 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.198 -5.696 -3.879 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.851 -5.036 -1.414 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.247 -3.820 -2.522 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.858 -4.275 -5.091 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.996 -5.880 -1.776 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.828 -4.597 -6.520 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.968 -6.206 -3.201 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.849 -5.992 -5.218 1.00 0.00 H new ATOM 475 N PHE A 30 -3.895 -5.923 -0.908 1.00 0.00 N ATOM 476 CA PHE A 30 -2.654 -5.702 -0.175 1.00 0.00 C ATOM 477 C PHE A 30 -1.450 -6.181 -0.976 1.00 0.00 C ATOM 478 O PHE A 30 -0.343 -5.665 -0.818 1.00 0.00 O ATOM 479 CB PHE A 30 -2.700 -6.412 1.179 1.00 0.00 C ATOM 480 CG PHE A 30 -3.715 -5.841 2.128 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.645 -4.908 1.694 1.00 0.00 C ATOM 482 CD2 PHE A 30 -3.744 -6.237 3.457 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.578 -4.382 2.565 1.00 0.00 C ATOM 484 CE2 PHE A 30 -4.677 -5.713 4.331 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.594 -4.785 3.886 1.00 0.00 C ATOM 0 H PHE A 30 -4.541 -6.571 -0.457 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.549 -4.630 -0.010 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.920 -7.467 1.018 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.714 -6.359 1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.639 -4.589 0.662 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.029 -6.964 3.813 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.295 -3.655 2.213 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.688 -6.031 5.363 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.323 -4.374 4.569 1.00 0.00 H new ATOM 495 N ASP A 31 -1.672 -7.168 -1.837 1.00 0.00 N ATOM 496 CA ASP A 31 -0.624 -7.665 -2.721 1.00 0.00 C ATOM 497 C ASP A 31 -0.274 -6.640 -3.792 1.00 0.00 C ATOM 498 O ASP A 31 0.882 -6.520 -4.196 1.00 0.00 O ATOM 499 CB ASP A 31 -1.051 -8.982 -3.373 1.00 0.00 C ATOM 500 CG ASP A 31 0.066 -9.715 -4.102 1.00 0.00 C ATOM 501 OD1 ASP A 31 1.029 -10.075 -3.466 1.00 0.00 O ATOM 502 OD2 ASP A 31 -0.118 -10.047 -5.248 1.00 0.00 O ATOM 0 H ASP A 31 -2.570 -7.640 -1.942 1.00 0.00 H new ATOM 0 HA ASP A 31 0.265 -7.842 -2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.458 -9.639 -2.604 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.857 -8.779 -4.079 1.00 0.00 H new ATOM 507 N LEU A 32 -1.281 -5.902 -4.248 1.00 0.00 N ATOM 508 CA LEU A 32 -1.121 -5.011 -5.391 1.00 0.00 C ATOM 509 C LEU A 32 -0.118 -3.906 -5.092 1.00 0.00 C ATOM 510 O LEU A 32 0.630 -3.478 -5.971 1.00 0.00 O ATOM 511 CB LEU A 32 -2.476 -4.411 -5.788 1.00 0.00 C ATOM 512 CG LEU A 32 -3.250 -5.195 -6.855 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.529 -6.608 -6.363 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.548 -4.469 -7.176 1.00 0.00 C ATOM 0 H LEU A 32 -2.217 -5.904 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.735 -5.596 -6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.097 -4.334 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.313 -3.397 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.652 -5.262 -7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.079 -7.157 -7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.586 -7.115 -6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.122 -6.565 -5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.098 -5.026 -7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.153 -4.390 -6.273 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.323 -3.470 -7.551 1.00 0.00 H new ATOM 526 N ILE A 33 -0.106 -3.446 -3.845 1.00 0.00 N ATOM 527 CA ILE A 33 0.835 -2.418 -3.416 1.00 0.00 C ATOM 528 C ILE A 33 2.254 -2.967 -3.342 1.00 0.00 C ATOM 529 O ILE A 33 3.225 -2.211 -3.362 1.00 0.00 O ATOM 530 CB ILE A 33 0.448 -1.834 -2.045 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.478 -2.925 -0.973 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.927 -1.187 -2.112 1.00 0.00 C ATOM 533 CD1 ILE A 33 0.988 -2.449 0.369 1.00 0.00 C ATOM 0 H ILE A 33 -0.738 -3.770 -3.113 1.00 0.00 H new ATOM 0 HA ILE A 33 0.795 -1.624 -4.162 1.00 0.00 H new ATOM 0 HB ILE A 33 1.175 -1.068 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.528 -3.326 -0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.107 -3.745 -1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.185 -0.779 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.916 -0.384 -2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.667 -1.934 -2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.980 -3.278 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.006 -2.075 0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.346 -1.650 0.739 1.00 0.00 H new ATOM 545 N ASN A 34 2.368 -4.288 -3.255 1.00 0.00 N ATOM 546 CA ASN A 34 3.661 -4.954 -3.361 1.00 0.00 C ATOM 547 C ASN A 34 4.123 -5.033 -4.811 1.00 0.00 C ATOM 548 O ASN A 34 5.314 -4.923 -5.100 1.00 0.00 O ATOM 549 CB ASN A 34 3.623 -6.342 -2.747 1.00 0.00 C ATOM 550 CG ASN A 34 3.507 -6.337 -1.248 1.00 0.00 C ATOM 551 OD1 ASN A 34 3.888 -5.369 -0.579 1.00 0.00 O ATOM 552 ND2 ASN A 34 3.059 -7.444 -0.713 1.00 0.00 N ATOM 0 H ASN A 34 1.580 -4.919 -3.111 1.00 0.00 H new ATOM 0 HA ASN A 34 4.378 -4.353 -2.802 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.780 -6.892 -3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.527 -6.880 -3.031 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.012 -7.537 0.302 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.757 -8.213 -1.311 1.00 0.00 H new ATOM 559 N LYS A 35 3.172 -5.224 -5.720 1.00 0.00 N ATOM 560 CA LYS A 35 3.432 -5.063 -7.145 1.00 0.00 C ATOM 561 C LYS A 35 3.738 -3.612 -7.491 1.00 0.00 C ATOM 562 O LYS A 35 4.348 -3.324 -8.521 1.00 0.00 O ATOM 563 CB LYS A 35 2.240 -5.558 -7.966 1.00 0.00 C ATOM 564 CG LYS A 35 2.066 -7.072 -7.973 1.00 0.00 C ATOM 565 CD LYS A 35 0.859 -7.486 -8.803 1.00 0.00 C ATOM 566 CE LYS A 35 0.703 -8.999 -8.835 1.00 0.00 C ATOM 567 NZ LYS A 35 -0.478 -9.420 -9.638 1.00 0.00 N ATOM 0 H LYS A 35 2.214 -5.491 -5.494 1.00 0.00 H new ATOM 0 HA LYS A 35 4.308 -5.663 -7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.331 -5.102 -7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.354 -5.213 -8.994 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.964 -7.542 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.948 -7.431 -6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.042 -7.034 -8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.967 -7.108 -9.820 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.604 -9.448 -9.253 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.602 -9.375 -7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.548 -10.458 -9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.341 -9.013 -9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.370 -9.084 -10.616 1.00 0.00 H new ATOM 581 N ALA A 36 3.313 -2.701 -6.623 1.00 0.00 N ATOM 582 CA ALA A 36 3.484 -1.273 -6.866 1.00 0.00 C ATOM 583 C ALA A 36 4.937 -0.854 -6.689 1.00 0.00 C ATOM 584 O ALA A 36 5.291 -0.205 -5.706 1.00 0.00 O ATOM 585 CB ALA A 36 2.581 -0.467 -5.943 1.00 0.00 C ATOM 0 H ALA A 36 2.847 -2.926 -5.744 1.00 0.00 H new ATOM 0 HA ALA A 36 3.201 -1.071 -7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.720 0.597 -6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.541 -0.736 -6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.835 -0.684 -4.905 1.00 0.00 H new ATOM 591 N LYS A 37 5.776 -1.231 -7.649 1.00 0.00 N ATOM 592 CA LYS A 37 7.199 -0.919 -7.588 1.00 0.00 C ATOM 593 C LYS A 37 7.432 0.586 -7.564 1.00 0.00 C ATOM 594 O LYS A 37 8.565 1.047 -7.421 1.00 0.00 O ATOM 595 CB LYS A 37 7.935 -1.546 -8.773 1.00 0.00 C ATOM 596 CG LYS A 37 9.454 -1.539 -8.644 1.00 0.00 C ATOM 597 CD LYS A 37 10.107 -2.327 -9.770 1.00 0.00 C ATOM 598 CE LYS A 37 11.613 -2.426 -9.574 1.00 0.00 C ATOM 599 NZ LYS A 37 12.258 -3.252 -10.631 1.00 0.00 N ATOM 0 H LYS A 37 5.494 -1.753 -8.479 1.00 0.00 H new ATOM 0 HA LYS A 37 7.594 -1.340 -6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.597 -2.575 -8.892 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.657 -1.012 -9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.818 -0.512 -8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.742 -1.966 -7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.677 -3.328 -9.813 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.893 -1.847 -10.725 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.046 -1.426 -9.580 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.824 -2.859 -8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.283 -3.294 -10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.863 -4.214 -10.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.079 -2.826 -11.562 1.00 0.00 H new ATOM 613 N THR A 38 6.353 1.350 -7.706 1.00 0.00 N ATOM 614 CA THR A 38 6.403 2.792 -7.497 1.00 0.00 C ATOM 615 C THR A 38 5.650 3.193 -6.235 1.00 0.00 C ATOM 616 O THR A 38 4.721 2.507 -5.811 1.00 0.00 O ATOM 617 CB THR A 38 5.814 3.556 -8.698 1.00 0.00 C ATOM 618 OG1 THR A 38 4.407 3.301 -8.786 1.00 0.00 O ATOM 619 CG2 THR A 38 6.487 3.119 -9.990 1.00 0.00 C ATOM 0 H THR A 38 5.433 0.994 -7.965 1.00 0.00 H new ATOM 0 HA THR A 38 7.455 3.057 -7.388 1.00 0.00 H new ATOM 0 HB THR A 38 5.988 4.622 -8.552 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.033 3.789 -9.549 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.058 3.669 -10.828 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.556 3.323 -9.931 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.330 2.051 -10.139 1.00 0.00 H new ATOM 627 N VAL A 39 6.058 4.308 -5.638 1.00 0.00 N ATOM 628 CA VAL A 39 5.360 4.857 -4.482 1.00 0.00 C ATOM 629 C VAL A 39 3.973 5.356 -4.862 1.00 0.00 C ATOM 630 O VAL A 39 3.016 5.198 -4.104 1.00 0.00 O ATOM 631 CB VAL A 39 6.153 6.012 -3.840 1.00 0.00 C ATOM 632 CG1 VAL A 39 5.324 6.689 -2.758 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.464 5.502 -3.264 1.00 0.00 C ATOM 0 H VAL A 39 6.869 4.849 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 39 5.265 4.047 -3.758 1.00 0.00 H new ATOM 0 HB VAL A 39 6.379 6.747 -4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.899 7.502 -2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.409 7.088 -3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.069 5.962 -1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.011 6.331 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.259 4.748 -2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.064 5.061 -4.060 1.00 0.00 H new ATOM 643 N GLU A 40 3.869 5.960 -6.041 1.00 0.00 N ATOM 644 CA GLU A 40 2.598 6.489 -6.522 1.00 0.00 C ATOM 645 C GLU A 40 1.583 5.374 -6.735 1.00 0.00 C ATOM 646 O GLU A 40 0.387 5.558 -6.508 1.00 0.00 O ATOM 647 CB GLU A 40 2.800 7.271 -7.822 1.00 0.00 C ATOM 648 CG GLU A 40 3.540 8.591 -7.653 1.00 0.00 C ATOM 649 CD GLU A 40 3.794 9.248 -8.981 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.465 8.663 -9.985 1.00 0.00 O ATOM 651 OE2 GLU A 40 4.212 10.382 -8.989 1.00 0.00 O ATOM 0 H GLU A 40 4.651 6.095 -6.682 1.00 0.00 H new ATOM 0 HA GLU A 40 2.209 7.164 -5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.351 6.647 -8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.825 7.469 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.956 9.259 -7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.488 8.417 -7.144 1.00 0.00 H new ATOM 658 N GLY A 41 2.067 4.216 -7.171 1.00 0.00 N ATOM 659 CA GLY A 41 1.212 3.048 -7.351 1.00 0.00 C ATOM 660 C GLY A 41 0.551 2.644 -6.040 1.00 0.00 C ATOM 661 O GLY A 41 -0.657 2.404 -5.992 1.00 0.00 O ATOM 0 H GLY A 41 3.047 4.061 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.446 3.265 -8.096 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.803 2.217 -7.735 1.00 0.00 H new ATOM 665 N VAL A 42 1.346 2.570 -4.979 1.00 0.00 N ATOM 666 CA VAL A 42 0.856 2.110 -3.684 1.00 0.00 C ATOM 667 C VAL A 42 -0.287 2.984 -3.187 1.00 0.00 C ATOM 668 O VAL A 42 -1.275 2.483 -2.647 1.00 0.00 O ATOM 669 CB VAL A 42 1.977 2.098 -2.628 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.406 1.804 -1.249 1.00 0.00 C ATOM 671 CG2 VAL A 42 3.041 1.074 -2.993 1.00 0.00 C ATOM 0 H VAL A 42 2.334 2.823 -4.990 1.00 0.00 H new ATOM 0 HA VAL A 42 0.495 1.092 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 42 2.441 3.084 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.212 1.799 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.679 2.572 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.917 0.830 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.825 1.079 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.590 0.083 -3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.471 1.326 -3.963 1.00 0.00 H new ATOM 681 N ASN A 43 -0.149 4.292 -3.371 1.00 0.00 N ATOM 682 CA ASN A 43 -1.188 5.237 -2.974 1.00 0.00 C ATOM 683 C ASN A 43 -2.389 5.157 -3.907 1.00 0.00 C ATOM 684 O ASN A 43 -3.536 5.176 -3.461 1.00 0.00 O ATOM 685 CB ASN A 43 -0.656 6.657 -2.922 1.00 0.00 C ATOM 686 CG ASN A 43 -1.644 7.653 -2.380 1.00 0.00 C ATOM 687 OD1 ASN A 43 -2.072 7.567 -1.223 1.00 0.00 O ATOM 688 ND2 ASN A 43 -2.070 8.548 -3.236 1.00 0.00 N ATOM 0 H ASN A 43 0.673 4.723 -3.793 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.511 4.959 -1.971 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.242 6.677 -2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.360 6.962 -3.926 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.788 9.217 -2.959 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.683 8.576 -4.179 1.00 0.00 H new ATOM 695 N ALA A 44 -2.120 5.068 -5.205 1.00 0.00 N ATOM 696 CA ALA A 44 -3.178 5.032 -6.207 1.00 0.00 C ATOM 697 C ALA A 44 -4.024 3.773 -6.069 1.00 0.00 C ATOM 698 O ALA A 44 -5.254 3.834 -6.102 1.00 0.00 O ATOM 699 CB ALA A 44 -2.586 5.127 -7.606 1.00 0.00 C ATOM 0 H ALA A 44 -1.176 5.019 -5.588 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.828 5.891 -6.043 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.388 5.099 -8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.035 6.062 -7.705 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.910 4.288 -7.773 1.00 0.00 H new ATOM 705 N LEU A 45 -3.360 2.633 -5.915 1.00 0.00 N ATOM 706 CA LEU A 45 -4.050 1.362 -5.728 1.00 0.00 C ATOM 707 C LEU A 45 -4.903 1.379 -4.466 1.00 0.00 C ATOM 708 O LEU A 45 -6.098 1.088 -4.510 1.00 0.00 O ATOM 709 CB LEU A 45 -3.038 0.212 -5.673 1.00 0.00 C ATOM 710 CG LEU A 45 -2.175 0.041 -6.931 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.816 -0.537 -6.556 1.00 0.00 C ATOM 712 CD2 LEU A 45 -2.892 -0.864 -7.920 1.00 0.00 C ATOM 0 H LEU A 45 -2.342 2.563 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.713 1.209 -6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.380 0.369 -4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.578 -0.718 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.015 1.013 -7.398 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.210 -0.655 -7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.312 0.138 -5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.952 -1.508 -6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.279 -0.985 -8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.064 -1.839 -7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.848 -0.418 -8.194 1.00 0.00 H new ATOM 724 N LYS A 46 -4.282 1.721 -3.343 1.00 0.00 N ATOM 725 CA LYS A 46 -4.974 1.738 -2.060 1.00 0.00 C ATOM 726 C LYS A 46 -6.140 2.718 -2.075 1.00 0.00 C ATOM 727 O LYS A 46 -7.167 2.484 -1.438 1.00 0.00 O ATOM 728 CB LYS A 46 -4.003 2.094 -0.932 1.00 0.00 C ATOM 729 CG LYS A 46 -4.465 1.664 0.454 1.00 0.00 C ATOM 730 CD LYS A 46 -3.785 2.483 1.542 1.00 0.00 C ATOM 731 CE LYS A 46 -4.330 3.903 1.590 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.666 4.720 2.640 1.00 0.00 N ATOM 0 H LYS A 46 -3.299 1.991 -3.295 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.371 0.739 -1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.038 1.631 -1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.846 3.173 -0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.546 1.779 0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.246 0.606 0.601 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.934 2.002 2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.710 2.510 1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.190 4.378 0.619 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.403 3.873 1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.386 5.120 3.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.016 4.120 3.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.131 5.492 2.193 1.00 0.00 H new ATOM 746 N ASP A 47 -5.975 3.815 -2.807 1.00 0.00 N ATOM 747 CA ASP A 47 -6.947 4.902 -2.788 1.00 0.00 C ATOM 748 C ASP A 47 -8.367 4.375 -2.950 1.00 0.00 C ATOM 749 O ASP A 47 -9.288 4.827 -2.271 1.00 0.00 O ATOM 750 CB ASP A 47 -6.635 5.921 -3.886 1.00 0.00 C ATOM 751 CG ASP A 47 -7.419 7.221 -3.780 1.00 0.00 C ATOM 752 OD1 ASP A 47 -7.264 7.907 -2.798 1.00 0.00 O ATOM 753 OD2 ASP A 47 -8.043 7.596 -4.743 1.00 0.00 O ATOM 0 H ASP A 47 -5.177 3.975 -3.421 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.875 5.395 -1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.570 6.150 -3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.839 5.466 -4.855 1.00 0.00 H new ATOM 758 N GLU A 48 -8.537 3.416 -3.855 1.00 0.00 N ATOM 759 CA GLU A 48 -9.840 2.806 -4.088 1.00 0.00 C ATOM 760 C GLU A 48 -10.317 2.039 -2.862 1.00 0.00 C ATOM 761 O GLU A 48 -11.502 2.060 -2.527 1.00 0.00 O ATOM 762 CB GLU A 48 -9.786 1.877 -5.302 1.00 0.00 C ATOM 763 CG GLU A 48 -9.627 2.592 -6.637 1.00 0.00 C ATOM 764 CD GLU A 48 -9.470 1.614 -7.766 1.00 0.00 C ATOM 765 OE1 GLU A 48 -9.418 0.436 -7.504 1.00 0.00 O ATOM 766 OE2 GLU A 48 -9.514 2.032 -8.899 1.00 0.00 O ATOM 0 H GLU A 48 -7.788 3.045 -4.439 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.552 3.607 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.956 1.182 -5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.699 1.282 -5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.496 3.224 -6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.758 3.249 -6.599 1.00 0.00 H new ATOM 773 N ILE A 49 -9.389 1.361 -2.196 1.00 0.00 N ATOM 774 CA ILE A 49 -9.721 0.544 -1.035 1.00 0.00 C ATOM 775 C ILE A 49 -10.003 1.409 0.186 1.00 0.00 C ATOM 776 O ILE A 49 -10.908 1.120 0.968 1.00 0.00 O ATOM 777 CB ILE A 49 -8.592 -0.448 -0.701 1.00 0.00 C ATOM 778 CG1 ILE A 49 -8.306 -1.356 -1.900 1.00 0.00 C ATOM 779 CG2 ILE A 49 -8.956 -1.275 0.523 1.00 0.00 C ATOM 780 CD1 ILE A 49 -9.473 -2.232 -2.293 1.00 0.00 C ATOM 0 H ILE A 49 -8.399 1.361 -2.441 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.620 -0.017 -1.293 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.688 0.118 -0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.024 -0.738 -2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.450 -1.990 -1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.147 -1.971 0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.111 -0.614 1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.871 -1.833 0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.195 -2.846 -3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.742 -2.876 -1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.325 -1.606 -2.557 1.00 0.00 H new ATOM 792 N LEU A 50 -9.222 2.473 0.343 1.00 0.00 N ATOM 793 CA LEU A 50 -9.403 3.398 1.457 1.00 0.00 C ATOM 794 C LEU A 50 -10.742 4.117 1.364 1.00 0.00 C ATOM 795 O LEU A 50 -11.396 4.365 2.377 1.00 0.00 O ATOM 796 CB LEU A 50 -8.253 4.412 1.495 1.00 0.00 C ATOM 797 CG LEU A 50 -8.299 5.407 2.662 1.00 0.00 C ATOM 798 CD1 LEU A 50 -8.146 4.669 3.984 1.00 0.00 C ATOM 799 CD2 LEU A 50 -7.197 6.442 2.490 1.00 0.00 C ATOM 0 H LEU A 50 -8.458 2.716 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.397 2.821 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.310 3.867 1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.253 4.972 0.560 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.262 5.918 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.180 5.384 4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.957 3.950 4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.191 4.144 3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.229 7.149 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.228 5.943 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.343 6.976 1.551 1.00 0.00 H new ATOM 811 N LYS A 51 -11.146 4.451 0.142 1.00 0.00 N ATOM 812 CA LYS A 51 -12.419 5.123 -0.087 1.00 0.00 C ATOM 813 C LYS A 51 -13.576 4.135 -0.056 1.00 0.00 C ATOM 814 O LYS A 51 -14.729 4.520 0.139 1.00 0.00 O ATOM 815 CB LYS A 51 -12.398 5.869 -1.423 1.00 0.00 C ATOM 816 CG LYS A 51 -11.483 7.085 -1.450 1.00 0.00 C ATOM 817 CD LYS A 51 -11.478 7.743 -2.822 1.00 0.00 C ATOM 818 CE LYS A 51 -10.643 9.015 -2.824 1.00 0.00 C ATOM 819 NZ LYS A 51 -10.596 9.648 -4.171 1.00 0.00 N ATOM 0 H LYS A 51 -10.609 4.267 -0.705 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.566 5.844 0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.087 5.178 -2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.412 6.187 -1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.810 7.805 -0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.469 6.786 -1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.083 7.045 -3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.500 7.977 -3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.057 9.722 -2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.629 8.784 -2.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.017 10.511 -4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.177 8.983 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.561 9.892 -4.474 1.00 0.00 H new ATOM 833 N ALA A 52 -13.264 2.858 -0.251 1.00 0.00 N ATOM 834 CA ALA A 52 -14.275 1.808 -0.219 1.00 0.00 C ATOM 835 C ALA A 52 -14.908 1.696 1.162 1.00 0.00 C ATOM 836 O ALA A 52 -15.768 2.465 1.491 1.00 0.00 O ATOM 837 CB ALA A 52 -13.669 0.477 -0.638 1.00 0.00 C ATOM 838 OXT ALA A 52 -14.549 0.837 1.918 1.00 0.00 O ATOM 0 H ALA A 52 -12.317 2.525 -0.433 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.061 2.073 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.436 -0.297 -0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.275 0.560 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.862 0.214 0.045 1.00 0.00 H new TER 844 ALA A 52