USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 589 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 3 TYR OH : rot 180:sc= -0.253 USER MOD Single : A 4 THR OG1 : rot 140:sc= -1.11 USER MOD Single : A 7 THR OG1 : rot -97:sc= 1.24 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.325 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -4.17! C(o=-4.2!,f=-4.2!) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0521) USER MOD Single : A 28 SER OG : rot -39:sc= 0.305 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0821 USER MOD Single : A 36 SER OG : rot 22:sc= 0.854 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0181 F(o=-2.4!,f=-0.018) USER MOD Single : A 50 HIS : no HE2:sc= -3.21! C(o=-3.2!,f=-3.6!) USER MOD Single : A 53 THR OG1 : rot -85:sc= 1.93 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 3 -16.151 -14.872 -9.712 1.00 0.00 N ATOM 38 CA TYR A 3 -15.461 -14.032 -8.738 1.00 0.00 C ATOM 39 C TYR A 3 -15.928 -14.393 -7.340 1.00 0.00 C ATOM 40 O TYR A 3 -17.126 -14.571 -7.113 1.00 0.00 O ATOM 41 CB TYR A 3 -15.777 -12.563 -9.009 1.00 0.00 C ATOM 42 CG TYR A 3 -15.448 -12.243 -10.442 1.00 0.00 C ATOM 43 CD1 TYR A 3 -16.375 -12.549 -11.442 1.00 0.00 C ATOM 44 CD2 TYR A 3 -14.225 -11.648 -10.774 1.00 0.00 C ATOM 45 CE1 TYR A 3 -16.083 -12.263 -12.777 1.00 0.00 C ATOM 46 CE2 TYR A 3 -13.935 -11.359 -12.112 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.865 -11.667 -13.113 1.00 0.00 C ATOM 48 OH TYR A 3 -14.576 -11.389 -14.432 1.00 0.00 O ATOM 0 HA TYR A 3 -14.386 -14.194 -8.821 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.830 -12.363 -8.812 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.200 -11.925 -8.340 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -17.318 -13.007 -11.182 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -13.509 -11.413 -10.001 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -16.799 -12.502 -13.550 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.994 -10.898 -12.373 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.690 -10.975 -14.492 1.00 0.00 H new ATOM 58 N THR A 4 -14.989 -14.500 -6.397 1.00 0.00 N ATOM 59 CA THR A 4 -15.340 -14.844 -5.017 1.00 0.00 C ATOM 60 C THR A 4 -14.678 -13.869 -4.037 1.00 0.00 C ATOM 61 O THR A 4 -13.603 -13.341 -4.322 1.00 0.00 O ATOM 62 CB THR A 4 -14.883 -16.268 -4.696 1.00 0.00 C ATOM 63 OG1 THR A 4 -13.549 -16.231 -4.219 1.00 0.00 O ATOM 64 CG2 THR A 4 -14.956 -17.127 -5.957 1.00 0.00 C ATOM 0 H THR A 4 -13.993 -14.356 -6.560 1.00 0.00 H new ATOM 0 HA THR A 4 -16.423 -14.777 -4.913 1.00 0.00 H new ATOM 0 HB THR A 4 -15.532 -16.699 -3.933 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.449 -16.864 -3.478 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.630 -18.141 -5.726 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.983 -17.150 -6.322 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.308 -16.703 -6.724 1.00 0.00 H new ATOM 72 N PRO A 5 -15.281 -13.620 -2.894 1.00 0.00 N ATOM 73 CA PRO A 5 -14.698 -12.689 -1.884 1.00 0.00 C ATOM 74 C PRO A 5 -13.242 -12.999 -1.553 1.00 0.00 C ATOM 75 O PRO A 5 -12.399 -12.105 -1.552 1.00 0.00 O ATOM 76 CB PRO A 5 -15.581 -12.884 -0.638 1.00 0.00 C ATOM 77 CG PRO A 5 -16.879 -13.438 -1.139 1.00 0.00 C ATOM 78 CD PRO A 5 -16.574 -14.179 -2.445 1.00 0.00 C ATOM 0 HA PRO A 5 -14.688 -11.666 -2.259 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -15.112 -13.567 0.070 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -15.735 -11.939 -0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -17.319 -14.114 -0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -17.600 -12.638 -1.308 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -16.507 -15.255 -2.285 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.356 -14.015 -3.186 1.00 0.00 H new ATOM 86 N ASP A 6 -12.956 -14.265 -1.259 1.00 0.00 N ATOM 87 CA ASP A 6 -11.595 -14.674 -0.907 1.00 0.00 C ATOM 88 C ASP A 6 -11.195 -15.942 -1.644 1.00 0.00 C ATOM 89 O ASP A 6 -11.602 -17.043 -1.279 1.00 0.00 O ATOM 90 CB ASP A 6 -11.495 -14.914 0.601 1.00 0.00 C ATOM 91 CG ASP A 6 -10.077 -15.343 0.965 1.00 0.00 C ATOM 92 OD1 ASP A 6 -9.210 -15.231 0.115 1.00 0.00 O ATOM 93 OD2 ASP A 6 -9.881 -15.777 2.088 1.00 0.00 O ATOM 0 H ASP A 6 -13.641 -15.021 -1.257 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.918 -13.872 -1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.759 -14.005 1.141 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.206 -15.683 0.904 1.00 0.00 H new ATOM 98 N THR A 7 -10.377 -15.774 -2.676 1.00 0.00 N ATOM 99 CA THR A 7 -9.894 -16.911 -3.466 1.00 0.00 C ATOM 100 C THR A 7 -8.413 -16.751 -3.782 1.00 0.00 C ATOM 101 O THR A 7 -7.933 -15.642 -4.012 1.00 0.00 O ATOM 102 CB THR A 7 -10.686 -17.023 -4.770 1.00 0.00 C ATOM 103 OG1 THR A 7 -9.967 -17.823 -5.692 1.00 0.00 O ATOM 104 CG2 THR A 7 -10.918 -15.629 -5.357 1.00 0.00 C ATOM 0 H THR A 7 -10.032 -14.866 -2.988 1.00 0.00 H new ATOM 0 HA THR A 7 -10.035 -17.819 -2.880 1.00 0.00 H new ATOM 0 HB THR A 7 -11.652 -17.487 -4.569 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.465 -17.245 -6.305 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.482 -15.715 -6.286 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.479 -15.023 -4.646 1.00 0.00 H new ATOM 0 HG23 THR A 7 -9.958 -15.155 -5.559 1.00 0.00 H new ATOM 112 N ALA A 8 -7.696 -17.872 -3.801 1.00 0.00 N ATOM 113 CA ALA A 8 -6.264 -17.852 -4.103 1.00 0.00 C ATOM 114 C ALA A 8 -6.057 -18.019 -5.598 1.00 0.00 C ATOM 115 O ALA A 8 -6.163 -19.124 -6.131 1.00 0.00 O ATOM 116 CB ALA A 8 -5.558 -18.989 -3.360 1.00 0.00 C ATOM 0 H ALA A 8 -8.077 -18.799 -3.613 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.845 -16.899 -3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.493 -18.968 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.700 -18.866 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.978 -19.945 -3.674 1.00 0.00 H new ATOM 122 N TRP A 9 -5.778 -16.910 -6.280 1.00 0.00 N ATOM 123 CA TRP A 9 -5.575 -16.934 -7.730 1.00 0.00 C ATOM 124 C TRP A 9 -4.087 -16.914 -8.048 1.00 0.00 C ATOM 125 O TRP A 9 -3.314 -16.222 -7.390 1.00 0.00 O ATOM 126 CB TRP A 9 -6.254 -15.715 -8.376 1.00 0.00 C ATOM 127 CG TRP A 9 -7.733 -15.937 -8.488 1.00 0.00 C ATOM 128 CD1 TRP A 9 -8.455 -16.807 -7.746 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.679 -15.298 -9.392 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.778 -16.734 -8.124 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.969 -15.818 -9.137 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.545 -14.324 -10.393 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -11.086 -15.389 -9.850 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.663 -13.887 -11.117 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.932 -14.417 -10.847 1.00 0.00 C ATOM 0 H TRP A 9 -5.687 -15.987 -5.856 1.00 0.00 H new ATOM 0 HA TRP A 9 -6.016 -17.847 -8.131 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.058 -14.824 -7.780 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.831 -15.537 -9.365 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.058 -17.456 -6.979 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.524 -17.289 -7.706 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.572 -13.907 -10.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -12.061 -15.802 -9.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.546 -13.138 -11.887 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.790 -14.076 -11.407 1.00 0.00 H new ATOM 146 N LYS A 10 -3.692 -17.675 -9.068 1.00 0.00 N ATOM 147 CA LYS A 10 -2.289 -17.734 -9.473 1.00 0.00 C ATOM 148 C LYS A 10 -2.038 -16.750 -10.606 1.00 0.00 C ATOM 149 O LYS A 10 -2.777 -16.728 -11.582 1.00 0.00 O ATOM 150 CB LYS A 10 -1.938 -19.157 -9.935 1.00 0.00 C ATOM 151 CG LYS A 10 -0.440 -19.414 -9.750 1.00 0.00 C ATOM 152 CD LYS A 10 -0.126 -20.870 -10.081 1.00 0.00 C ATOM 153 CE LYS A 10 1.361 -21.128 -9.841 1.00 0.00 C ATOM 154 NZ LYS A 10 1.674 -22.552 -10.136 1.00 0.00 N ATOM 0 H LYS A 10 -4.319 -18.255 -9.625 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.661 -17.469 -8.622 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.513 -19.886 -9.364 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.211 -19.286 -10.982 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.136 -18.751 -10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.147 -19.192 -8.724 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.728 -21.535 -9.461 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.382 -21.083 -11.119 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.961 -20.474 -10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.619 -20.895 -8.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.686 -22.726 -9.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.112 -23.167 -9.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.443 -22.760 -11.129 1.00 0.00 H new ATOM 168 N ILE A 11 -1.000 -15.935 -10.465 1.00 0.00 N ATOM 169 CA ILE A 11 -0.676 -14.943 -11.485 1.00 0.00 C ATOM 170 C ILE A 11 0.147 -15.580 -12.597 1.00 0.00 C ATOM 171 O ILE A 11 1.227 -16.115 -12.351 1.00 0.00 O ATOM 172 CB ILE A 11 0.125 -13.802 -10.853 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.586 -13.306 -9.596 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.226 -12.641 -11.841 1.00 0.00 C ATOM 175 CD1 ILE A 11 0.320 -12.323 -8.853 1.00 0.00 C ATOM 0 H ILE A 11 -0.372 -15.940 -9.661 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.603 -14.554 -11.906 1.00 0.00 H new ATOM 0 HB ILE A 11 1.120 -14.168 -10.598 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.525 -12.821 -9.864 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.835 -14.148 -8.950 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.796 -11.829 -11.391 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.728 -12.978 -12.748 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.774 -12.287 -12.090 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.187 -11.968 -7.955 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.247 -12.823 -8.573 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.546 -11.476 -9.501 1.00 0.00 H new ATOM 187 N THR A 12 -0.366 -15.519 -13.826 1.00 0.00 N ATOM 188 CA THR A 12 0.339 -16.093 -14.975 1.00 0.00 C ATOM 189 C THR A 12 1.004 -14.997 -15.800 1.00 0.00 C ATOM 190 O THR A 12 2.186 -15.087 -16.132 1.00 0.00 O ATOM 191 CB THR A 12 -0.646 -16.864 -15.850 1.00 0.00 C ATOM 192 OG1 THR A 12 -1.381 -17.776 -15.046 1.00 0.00 O ATOM 193 CG2 THR A 12 0.116 -17.632 -16.930 1.00 0.00 C ATOM 0 H THR A 12 -1.260 -15.082 -14.052 1.00 0.00 H new ATOM 0 HA THR A 12 1.110 -16.770 -14.606 1.00 0.00 H new ATOM 0 HB THR A 12 -1.333 -16.163 -16.324 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.015 -18.270 -15.607 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.590 -18.181 -17.553 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.676 -16.931 -17.549 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.806 -18.332 -16.460 1.00 0.00 H new ATOM 201 N GLY A 13 0.234 -13.963 -16.129 1.00 0.00 N ATOM 202 CA GLY A 13 0.755 -12.853 -16.919 1.00 0.00 C ATOM 203 C GLY A 13 -0.376 -12.017 -17.511 1.00 0.00 C ATOM 204 O GLY A 13 -1.542 -12.405 -17.464 1.00 0.00 O ATOM 0 H GLY A 13 -0.746 -13.871 -15.863 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.387 -12.223 -16.293 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.384 -13.238 -17.721 1.00 0.00 H new ATOM 208 N PHE A 14 -0.019 -10.867 -18.072 1.00 0.00 N ATOM 209 CA PHE A 14 -1.005 -9.972 -18.680 1.00 0.00 C ATOM 210 C PHE A 14 -1.279 -10.385 -20.127 1.00 0.00 C ATOM 211 O PHE A 14 -0.463 -11.056 -20.758 1.00 0.00 O ATOM 212 CB PHE A 14 -0.497 -8.519 -18.633 1.00 0.00 C ATOM 213 CG PHE A 14 1.011 -8.515 -18.624 1.00 0.00 C ATOM 214 CD1 PHE A 14 1.694 -8.729 -17.423 1.00 0.00 C ATOM 215 CD2 PHE A 14 1.719 -8.293 -19.807 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.094 -8.718 -17.404 1.00 0.00 C ATOM 217 CE2 PHE A 14 3.119 -8.284 -19.791 1.00 0.00 C ATOM 218 CZ PHE A 14 3.807 -8.496 -18.589 1.00 0.00 C ATOM 0 H PHE A 14 0.943 -10.530 -18.120 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.935 -10.042 -18.116 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.868 -7.965 -19.495 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.878 -8.018 -17.743 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.142 -8.903 -16.511 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.188 -8.129 -20.733 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.623 -8.880 -16.477 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.668 -8.114 -20.705 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.887 -8.488 -18.576 1.00 0.00 H new ATOM 228 N SER A 15 -2.433 -9.971 -20.642 1.00 0.00 N ATOM 229 CA SER A 15 -2.812 -10.292 -22.015 1.00 0.00 C ATOM 230 C SER A 15 -2.116 -9.360 -22.998 1.00 0.00 C ATOM 231 O SER A 15 -1.510 -8.368 -22.602 1.00 0.00 O ATOM 232 CB SER A 15 -4.323 -10.161 -22.183 1.00 0.00 C ATOM 233 OG SER A 15 -4.678 -10.480 -23.522 1.00 0.00 O ATOM 0 H SER A 15 -3.120 -9.415 -20.132 1.00 0.00 H new ATOM 0 HA SER A 15 -2.506 -11.318 -22.222 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.836 -10.828 -21.490 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.640 -9.146 -21.943 1.00 0.00 H new ATOM 0 HG SER A 15 -5.648 -10.398 -23.632 1.00 0.00 H new ATOM 239 N ARG A 16 -2.206 -9.684 -24.282 1.00 0.00 N ATOM 240 CA ARG A 16 -1.584 -8.861 -25.312 1.00 0.00 C ATOM 241 C ARG A 16 -2.308 -7.525 -25.450 1.00 0.00 C ATOM 242 O ARG A 16 -1.680 -6.484 -25.642 1.00 0.00 O ATOM 243 CB ARG A 16 -1.607 -9.597 -26.650 1.00 0.00 C ATOM 244 CG ARG A 16 -0.642 -10.781 -26.592 1.00 0.00 C ATOM 245 CD ARG A 16 -0.744 -11.589 -27.887 1.00 0.00 C ATOM 246 NE ARG A 16 -0.285 -10.793 -29.019 1.00 0.00 N ATOM 247 CZ ARG A 16 -0.370 -11.258 -30.261 1.00 0.00 C ATOM 248 NH1 ARG A 16 -0.874 -12.441 -30.482 1.00 0.00 N ATOM 249 NH2 ARG A 16 0.056 -10.534 -31.261 1.00 0.00 N ATOM 0 H ARG A 16 -2.700 -10.504 -24.633 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.552 -8.669 -25.019 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.616 -9.946 -26.869 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.322 -8.920 -27.455 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.379 -10.425 -26.453 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.878 -11.414 -25.737 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.145 -12.496 -27.805 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.776 -11.901 -28.048 1.00 0.00 H new ATOM 0 HE ARG A 16 0.107 -9.866 -28.855 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.203 -13.009 -29.701 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.939 -12.798 -31.435 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.454 -9.611 -31.089 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.010 -10.892 -32.214 1.00 0.00 H new ATOM 263 N GLU A 17 -3.636 -7.563 -25.362 1.00 0.00 N ATOM 264 CA GLU A 17 -4.440 -6.351 -25.489 1.00 0.00 C ATOM 265 C GLU A 17 -4.333 -5.504 -24.222 1.00 0.00 C ATOM 266 O GLU A 17 -4.822 -4.375 -24.172 1.00 0.00 O ATOM 267 CB GLU A 17 -5.907 -6.727 -25.737 1.00 0.00 C ATOM 268 CG GLU A 17 -6.651 -5.549 -26.379 1.00 0.00 C ATOM 269 CD GLU A 17 -6.222 -5.397 -27.833 1.00 0.00 C ATOM 270 OE1 GLU A 17 -5.496 -6.256 -28.309 1.00 0.00 O ATOM 271 OE2 GLU A 17 -6.622 -4.424 -28.450 1.00 0.00 O ATOM 0 H GLU A 17 -4.175 -8.415 -25.204 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.066 -5.770 -26.332 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.962 -7.600 -26.387 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.385 -7.000 -24.796 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.727 -5.713 -26.323 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.440 -4.631 -25.830 1.00 0.00 H new ATOM 278 N ILE A 18 -3.691 -6.057 -23.199 1.00 0.00 N ATOM 279 CA ILE A 18 -3.529 -5.348 -21.934 1.00 0.00 C ATOM 280 C ILE A 18 -3.165 -3.887 -22.179 1.00 0.00 C ATOM 281 O ILE A 18 -2.505 -3.558 -23.166 1.00 0.00 O ATOM 282 CB ILE A 18 -2.432 -6.015 -21.100 1.00 0.00 C ATOM 283 CG1 ILE A 18 -2.384 -5.390 -19.698 1.00 0.00 C ATOM 284 CG2 ILE A 18 -1.080 -5.819 -21.789 1.00 0.00 C ATOM 285 CD1 ILE A 18 -3.690 -5.675 -18.937 1.00 0.00 C ATOM 0 H ILE A 18 -3.276 -6.989 -23.220 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.475 -5.389 -21.393 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.649 -7.079 -21.010 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.537 -5.793 -19.143 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.230 -4.314 -19.778 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.298 -6.293 -21.197 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.108 -6.270 -22.781 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.870 -4.753 -21.881 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.639 -5.225 -17.946 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.531 -5.250 -19.485 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.827 -6.752 -18.840 1.00 0.00 H new ATOM 297 N SER A 19 -3.599 -3.015 -21.275 1.00 0.00 N ATOM 298 CA SER A 19 -3.311 -1.594 -21.405 1.00 0.00 C ATOM 299 C SER A 19 -1.849 -1.310 -21.037 1.00 0.00 C ATOM 300 O SER A 19 -1.241 -2.053 -20.267 1.00 0.00 O ATOM 301 CB SER A 19 -4.256 -0.792 -20.497 1.00 0.00 C ATOM 302 OG SER A 19 -5.394 -0.390 -21.247 1.00 0.00 O ATOM 0 H SER A 19 -4.147 -3.266 -20.452 1.00 0.00 H new ATOM 0 HA SER A 19 -3.469 -1.291 -22.440 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.563 -1.398 -19.645 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.741 0.082 -20.098 1.00 0.00 H new ATOM 0 HG SER A 19 -6.001 0.121 -20.672 1.00 0.00 H new ATOM 308 N PRO A 20 -1.285 -0.253 -21.567 1.00 0.00 N ATOM 309 CA PRO A 20 0.132 0.130 -21.282 1.00 0.00 C ATOM 310 C PRO A 20 0.337 0.534 -19.822 1.00 0.00 C ATOM 311 O PRO A 20 1.443 0.430 -19.289 1.00 0.00 O ATOM 312 CB PRO A 20 0.387 1.315 -22.235 1.00 0.00 C ATOM 313 CG PRO A 20 -0.968 1.879 -22.525 1.00 0.00 C ATOM 314 CD PRO A 20 -1.932 0.695 -22.488 1.00 0.00 C ATOM 0 HA PRO A 20 0.823 -0.698 -21.438 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.034 2.061 -21.773 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.881 0.987 -23.149 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.244 2.631 -21.786 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.987 2.368 -23.499 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.918 0.992 -22.130 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.071 0.260 -23.478 1.00 0.00 H new ATOM 322 N ALA A 21 -0.732 1.001 -19.183 1.00 0.00 N ATOM 323 CA ALA A 21 -0.653 1.428 -17.791 1.00 0.00 C ATOM 324 C ALA A 21 -0.429 0.237 -16.860 1.00 0.00 C ATOM 325 O ALA A 21 0.533 0.209 -16.088 1.00 0.00 O ATOM 326 CB ALA A 21 -1.948 2.144 -17.395 1.00 0.00 C ATOM 0 H ALA A 21 -1.657 1.093 -19.604 1.00 0.00 H new ATOM 0 HA ALA A 21 0.193 2.108 -17.693 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.885 2.461 -16.354 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.091 3.017 -18.032 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.791 1.464 -17.516 1.00 0.00 H new ATOM 332 N TYR A 22 -1.319 -0.745 -16.937 1.00 0.00 N ATOM 333 CA TYR A 22 -1.208 -1.928 -16.095 1.00 0.00 C ATOM 334 C TYR A 22 0.072 -2.698 -16.416 1.00 0.00 C ATOM 335 O TYR A 22 0.809 -3.114 -15.519 1.00 0.00 O ATOM 336 CB TYR A 22 -2.426 -2.825 -16.310 1.00 0.00 C ATOM 337 CG TYR A 22 -2.304 -4.059 -15.453 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.669 -5.198 -15.955 1.00 0.00 C ATOM 339 CD2 TYR A 22 -2.833 -4.064 -14.156 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.559 -6.344 -15.164 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.725 -5.211 -13.365 1.00 0.00 C ATOM 342 CZ TYR A 22 -2.089 -6.351 -13.868 1.00 0.00 C ATOM 343 OH TYR A 22 -1.979 -7.481 -13.084 1.00 0.00 O ATOM 0 H TYR A 22 -2.120 -0.746 -17.569 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.168 -1.615 -15.052 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.338 -2.284 -16.058 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.502 -3.106 -17.360 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.263 -5.192 -16.956 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.323 -3.183 -13.768 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.066 -7.223 -15.551 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.133 -5.217 -12.365 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.398 -7.317 -12.213 1.00 0.00 H new ATOM 353 N ARG A 23 0.332 -2.881 -17.704 1.00 0.00 N ATOM 354 CA ARG A 23 1.520 -3.605 -18.134 1.00 0.00 C ATOM 355 C ARG A 23 2.775 -2.928 -17.587 1.00 0.00 C ATOM 356 O ARG A 23 3.674 -3.586 -17.052 1.00 0.00 O ATOM 357 CB ARG A 23 1.580 -3.635 -19.660 1.00 0.00 C ATOM 358 CG ARG A 23 2.714 -4.554 -20.110 1.00 0.00 C ATOM 359 CD ARG A 23 2.823 -4.524 -21.636 1.00 0.00 C ATOM 360 NE ARG A 23 3.240 -3.199 -22.088 1.00 0.00 N ATOM 361 CZ ARG A 23 3.318 -2.907 -23.384 1.00 0.00 C ATOM 362 NH1 ARG A 23 3.012 -3.808 -24.278 1.00 0.00 N ATOM 363 NH2 ARG A 23 3.701 -1.719 -23.763 1.00 0.00 N ATOM 0 H ARG A 23 -0.258 -2.541 -18.463 1.00 0.00 H new ATOM 0 HA ARG A 23 1.470 -4.624 -17.751 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.631 -3.987 -20.065 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.738 -2.629 -20.048 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.655 -4.234 -19.662 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.528 -5.572 -19.768 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.541 -5.273 -21.971 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.862 -4.782 -22.081 1.00 0.00 H new ATOM 0 HE ARG A 23 3.475 -2.485 -21.398 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.713 -4.738 -23.984 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.072 -3.582 -25.271 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.941 -1.014 -23.066 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.761 -1.495 -24.756 1.00 0.00 H new ATOM 377 N GLN A 24 2.821 -1.606 -17.705 1.00 0.00 N ATOM 378 CA GLN A 24 3.960 -0.850 -17.205 1.00 0.00 C ATOM 379 C GLN A 24 4.067 -1.035 -15.698 1.00 0.00 C ATOM 380 O GLN A 24 5.166 -1.072 -15.142 1.00 0.00 O ATOM 381 CB GLN A 24 3.789 0.634 -17.536 1.00 0.00 C ATOM 382 CG GLN A 24 5.004 1.426 -17.037 1.00 0.00 C ATOM 383 CD GLN A 24 4.880 1.706 -15.541 1.00 0.00 C ATOM 384 OE1 GLN A 24 3.793 2.024 -15.054 1.00 0.00 O ATOM 385 NE2 GLN A 24 5.933 1.603 -14.778 1.00 0.00 N ATOM 0 H GLN A 24 2.090 -1.041 -18.138 1.00 0.00 H new ATOM 0 HA GLN A 24 4.871 -1.214 -17.681 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.677 0.764 -18.612 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.880 1.016 -17.072 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.917 0.865 -17.234 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.083 2.366 -17.584 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.832 1.340 -15.182 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.858 1.786 -13.777 1.00 0.00 H new ATOM 394 N LYS A 25 2.916 -1.168 -15.040 1.00 0.00 N ATOM 395 CA LYS A 25 2.904 -1.368 -13.597 1.00 0.00 C ATOM 396 C LYS A 25 3.677 -2.631 -13.248 1.00 0.00 C ATOM 397 O LYS A 25 4.518 -2.622 -12.356 1.00 0.00 O ATOM 398 CB LYS A 25 1.463 -1.499 -13.094 1.00 0.00 C ATOM 399 CG LYS A 25 1.420 -1.242 -11.582 1.00 0.00 C ATOM 400 CD LYS A 25 -0.032 -1.266 -11.083 1.00 0.00 C ATOM 401 CE LYS A 25 -0.758 0.030 -11.468 1.00 0.00 C ATOM 402 NZ LYS A 25 -2.030 0.126 -10.699 1.00 0.00 N ATOM 0 H LYS A 25 1.995 -1.141 -15.477 1.00 0.00 H new ATOM 0 HA LYS A 25 3.373 -0.508 -13.119 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.820 -0.788 -13.612 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.079 -2.495 -13.315 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.005 -1.999 -11.060 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.874 -0.277 -11.356 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.555 -2.122 -11.510 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.048 -1.390 -10.000 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.125 0.892 -11.256 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.964 0.041 -12.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.459 1.061 -10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.687 -0.613 -11.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.834 -0.003 -9.686 1.00 0.00 H new ATOM 416 N LEU A 26 3.403 -3.712 -13.975 1.00 0.00 N ATOM 417 CA LEU A 26 4.104 -4.970 -13.730 1.00 0.00 C ATOM 418 C LEU A 26 5.595 -4.799 -13.981 1.00 0.00 C ATOM 419 O LEU A 26 6.420 -5.344 -13.247 1.00 0.00 O ATOM 420 CB LEU A 26 3.552 -6.092 -14.632 1.00 0.00 C ATOM 421 CG LEU A 26 2.348 -6.785 -13.974 1.00 0.00 C ATOM 422 CD1 LEU A 26 2.773 -7.484 -12.663 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.256 -5.753 -13.689 1.00 0.00 C ATOM 0 H LEU A 26 2.713 -3.744 -14.726 1.00 0.00 H new ATOM 0 HA LEU A 26 3.943 -5.249 -12.689 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.255 -5.677 -15.595 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.335 -6.824 -14.828 1.00 0.00 H new ATOM 0 HG LEU A 26 1.961 -7.542 -14.656 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.907 -7.969 -12.212 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.536 -8.232 -12.880 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.176 -6.745 -11.971 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.403 -6.245 -13.222 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.645 -4.988 -13.017 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.941 -5.289 -14.624 1.00 0.00 H new ATOM 435 N LEU A 27 5.939 -4.052 -15.019 1.00 0.00 N ATOM 436 CA LEU A 27 7.341 -3.843 -15.340 1.00 0.00 C ATOM 437 C LEU A 27 8.056 -3.172 -14.170 1.00 0.00 C ATOM 438 O LEU A 27 9.181 -3.534 -13.825 1.00 0.00 O ATOM 439 CB LEU A 27 7.466 -2.959 -16.585 1.00 0.00 C ATOM 440 CG LEU A 27 8.938 -2.826 -17.001 1.00 0.00 C ATOM 441 CD1 LEU A 27 9.479 -4.187 -17.473 1.00 0.00 C ATOM 442 CD2 LEU A 27 9.036 -1.807 -18.136 1.00 0.00 C ATOM 0 H LEU A 27 5.279 -3.588 -15.643 1.00 0.00 H new ATOM 0 HA LEU A 27 7.801 -4.812 -15.534 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.888 -3.388 -17.403 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.048 -1.973 -16.382 1.00 0.00 H new ATOM 0 HG LEU A 27 9.532 -2.493 -16.150 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.524 -4.082 -17.766 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.401 -4.911 -16.662 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.896 -4.534 -18.326 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.077 -1.702 -18.442 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.441 -2.148 -18.983 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.660 -0.843 -17.793 1.00 0.00 H new ATOM 454 N SER A 28 7.400 -2.185 -13.570 1.00 0.00 N ATOM 455 CA SER A 28 7.990 -1.458 -12.444 1.00 0.00 C ATOM 456 C SER A 28 7.785 -2.208 -11.132 1.00 0.00 C ATOM 457 O SER A 28 8.351 -1.837 -10.104 1.00 0.00 O ATOM 458 CB SER A 28 7.366 -0.069 -12.333 1.00 0.00 C ATOM 459 OG SER A 28 8.105 0.700 -11.394 1.00 0.00 O ATOM 0 H SER A 28 6.468 -1.869 -13.839 1.00 0.00 H new ATOM 0 HA SER A 28 9.060 -1.369 -12.630 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.368 0.423 -13.306 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.326 -0.148 -12.018 1.00 0.00 H new ATOM 0 HG SER A 28 8.366 0.132 -10.639 1.00 0.00 H new ATOM 465 N LEU A 29 6.967 -3.259 -11.164 1.00 0.00 N ATOM 466 CA LEU A 29 6.692 -4.041 -9.965 1.00 0.00 C ATOM 467 C LEU A 29 7.621 -5.248 -9.894 1.00 0.00 C ATOM 468 O LEU A 29 7.687 -6.052 -10.825 1.00 0.00 O ATOM 469 CB LEU A 29 5.233 -4.514 -9.997 1.00 0.00 C ATOM 470 CG LEU A 29 4.784 -4.980 -8.604 1.00 0.00 C ATOM 471 CD1 LEU A 29 4.322 -3.772 -7.767 1.00 0.00 C ATOM 472 CD2 LEU A 29 3.620 -5.963 -8.756 1.00 0.00 C ATOM 0 H LEU A 29 6.487 -3.585 -12.003 1.00 0.00 H new ATOM 0 HA LEU A 29 6.861 -3.419 -9.086 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.590 -3.703 -10.340 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.125 -5.330 -10.711 1.00 0.00 H new ATOM 0 HG LEU A 29 5.620 -5.465 -8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.006 -4.112 -6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.146 -3.067 -7.660 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.487 -3.281 -8.267 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.296 -6.298 -7.771 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.791 -5.469 -9.262 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.944 -6.822 -9.343 1.00 0.00 H new ATOM 484 N GLY A 30 8.339 -5.360 -8.783 1.00 0.00 N ATOM 485 CA GLY A 30 9.269 -6.466 -8.588 1.00 0.00 C ATOM 486 C GLY A 30 8.527 -7.787 -8.403 1.00 0.00 C ATOM 487 O GLY A 30 9.101 -8.860 -8.587 1.00 0.00 O ATOM 0 H GLY A 30 8.296 -4.701 -8.006 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.937 -6.538 -9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.892 -6.271 -7.715 1.00 0.00 H new ATOM 491 N MET A 31 7.246 -7.701 -8.047 1.00 0.00 N ATOM 492 CA MET A 31 6.425 -8.894 -7.845 1.00 0.00 C ATOM 493 C MET A 31 5.772 -9.281 -9.157 1.00 0.00 C ATOM 494 O MET A 31 4.573 -9.094 -9.361 1.00 0.00 O ATOM 495 CB MET A 31 5.344 -8.623 -6.799 1.00 0.00 C ATOM 496 CG MET A 31 4.600 -9.922 -6.483 1.00 0.00 C ATOM 497 SD MET A 31 3.306 -9.595 -5.261 1.00 0.00 S ATOM 498 CE MET A 31 1.989 -9.170 -6.426 1.00 0.00 C ATOM 0 H MET A 31 6.755 -6.820 -7.893 1.00 0.00 H new ATOM 0 HA MET A 31 7.060 -9.707 -7.493 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.794 -8.220 -5.892 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.645 -7.872 -7.169 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.161 -10.332 -7.392 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.296 -10.668 -6.100 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.080 -8.929 -5.875 1.00 0.00 H new ATOM 0 HE2 MET A 31 2.293 -8.308 -7.020 1.00 0.00 H new ATOM 0 HE3 MET A 31 1.799 -10.017 -7.086 1.00 0.00 H new ATOM 508 N LEU A 32 6.584 -9.814 -10.044 1.00 0.00 N ATOM 509 CA LEU A 32 6.125 -10.222 -11.357 1.00 0.00 C ATOM 510 C LEU A 32 5.442 -11.593 -11.271 1.00 0.00 C ATOM 511 O LEU A 32 5.687 -12.353 -10.336 1.00 0.00 O ATOM 512 CB LEU A 32 7.354 -10.273 -12.270 1.00 0.00 C ATOM 513 CG LEU A 32 7.635 -8.879 -12.870 1.00 0.00 C ATOM 514 CD1 LEU A 32 9.105 -8.787 -13.281 1.00 0.00 C ATOM 515 CD2 LEU A 32 6.756 -8.645 -14.106 1.00 0.00 C ATOM 0 H LEU A 32 7.577 -9.977 -9.878 1.00 0.00 H new ATOM 0 HA LEU A 32 5.392 -9.520 -11.755 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.221 -10.614 -11.705 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.191 -10.995 -13.070 1.00 0.00 H new ATOM 0 HG LEU A 32 7.409 -8.122 -12.119 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.303 -7.803 -13.705 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.738 -8.940 -12.407 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.323 -9.553 -14.025 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.964 -7.658 -14.519 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.973 -9.406 -14.856 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.705 -8.705 -13.822 1.00 0.00 H new ATOM 527 N PRO A 33 4.582 -11.915 -12.208 1.00 0.00 N ATOM 528 CA PRO A 33 3.847 -13.204 -12.206 1.00 0.00 C ATOM 529 C PRO A 33 4.707 -14.362 -11.724 1.00 0.00 C ATOM 530 O PRO A 33 5.933 -14.271 -11.697 1.00 0.00 O ATOM 531 CB PRO A 33 3.456 -13.400 -13.671 1.00 0.00 C ATOM 532 CG PRO A 33 3.370 -12.019 -14.252 1.00 0.00 C ATOM 533 CD PRO A 33 4.209 -11.086 -13.362 1.00 0.00 C ATOM 0 HA PRO A 33 2.995 -13.182 -11.526 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.197 -14.002 -14.198 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.503 -13.922 -13.756 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.744 -12.010 -15.276 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.334 -11.683 -14.289 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.090 -10.721 -13.890 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.637 -10.211 -13.054 1.00 0.00 H new ATOM 541 N GLY A 34 4.046 -15.452 -11.349 1.00 0.00 N ATOM 542 CA GLY A 34 4.741 -16.640 -10.869 1.00 0.00 C ATOM 543 C GLY A 34 4.365 -16.933 -9.420 1.00 0.00 C ATOM 544 O GLY A 34 4.894 -17.858 -8.805 1.00 0.00 O ATOM 0 H GLY A 34 3.030 -15.537 -11.368 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.487 -17.495 -11.496 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.818 -16.495 -10.949 1.00 0.00 H new ATOM 548 N SER A 35 3.440 -16.135 -8.880 1.00 0.00 N ATOM 549 CA SER A 35 2.980 -16.304 -7.498 1.00 0.00 C ATOM 550 C SER A 35 1.459 -16.348 -7.448 1.00 0.00 C ATOM 551 O SER A 35 0.806 -16.679 -8.437 1.00 0.00 O ATOM 552 CB SER A 35 3.478 -15.147 -6.633 1.00 0.00 C ATOM 553 OG SER A 35 2.851 -13.943 -7.053 1.00 0.00 O ATOM 0 H SER A 35 2.994 -15.365 -9.379 1.00 0.00 H new ATOM 0 HA SER A 35 3.380 -17.243 -7.116 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.255 -15.340 -5.584 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.561 -15.055 -6.717 1.00 0.00 H new ATOM 0 HG SER A 35 3.167 -13.199 -6.499 1.00 0.00 H new ATOM 559 N SER A 36 0.897 -16.018 -6.286 1.00 0.00 N ATOM 560 CA SER A 36 -0.555 -16.026 -6.111 1.00 0.00 C ATOM 561 C SER A 36 -0.990 -14.910 -5.171 1.00 0.00 C ATOM 562 O SER A 36 -0.232 -14.488 -4.298 1.00 0.00 O ATOM 563 CB SER A 36 -1.006 -17.374 -5.549 1.00 0.00 C ATOM 564 OG SER A 36 -2.426 -17.411 -5.498 1.00 0.00 O ATOM 0 H SER A 36 1.422 -15.743 -5.456 1.00 0.00 H new ATOM 0 HA SER A 36 -1.018 -15.865 -7.084 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.632 -18.185 -6.174 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.591 -17.522 -4.552 1.00 0.00 H new ATOM 0 HG SER A 36 -2.793 -16.752 -6.124 1.00 0.00 H new ATOM 570 N PHE A 37 -2.221 -14.431 -5.359 1.00 0.00 N ATOM 571 CA PHE A 37 -2.760 -13.353 -4.525 1.00 0.00 C ATOM 572 C PHE A 37 -4.164 -13.704 -4.047 1.00 0.00 C ATOM 573 O PHE A 37 -4.838 -14.555 -4.634 1.00 0.00 O ATOM 574 CB PHE A 37 -2.805 -12.045 -5.319 1.00 0.00 C ATOM 575 CG PHE A 37 -3.841 -12.145 -6.414 1.00 0.00 C ATOM 576 CD1 PHE A 37 -3.497 -12.667 -7.666 1.00 0.00 C ATOM 577 CD2 PHE A 37 -5.152 -11.720 -6.171 1.00 0.00 C ATOM 578 CE1 PHE A 37 -4.462 -12.763 -8.676 1.00 0.00 C ATOM 579 CE2 PHE A 37 -6.115 -11.815 -7.179 1.00 0.00 C ATOM 580 CZ PHE A 37 -5.772 -12.335 -8.431 1.00 0.00 C ATOM 0 H PHE A 37 -2.861 -14.770 -6.077 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.109 -13.229 -3.660 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.044 -11.214 -4.655 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.826 -11.837 -5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.486 -12.996 -7.853 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.419 -11.319 -5.205 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.196 -13.166 -9.642 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.126 -11.486 -6.991 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.518 -12.406 -9.209 1.00 0.00 H new ATOM 590 N ASN A 38 -4.595 -13.047 -2.973 1.00 0.00 N ATOM 591 CA ASN A 38 -5.921 -13.287 -2.404 1.00 0.00 C ATOM 592 C ASN A 38 -6.824 -12.074 -2.608 1.00 0.00 C ATOM 593 O ASN A 38 -6.367 -10.923 -2.591 1.00 0.00 O ATOM 594 CB ASN A 38 -5.793 -13.588 -0.910 1.00 0.00 C ATOM 595 CG ASN A 38 -5.055 -14.908 -0.700 1.00 0.00 C ATOM 596 OD1 ASN A 38 -5.039 -15.800 -1.653 1.00 0.00 O flip ATOM 597 ND2 ASN A 38 -4.478 -15.133 0.364 1.00 0.00 N flip ATOM 0 H ASN A 38 -4.046 -12.344 -2.478 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.368 -14.141 -2.913 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.256 -12.780 -0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.783 -13.640 -0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.491 -14.436 1.108 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.987 -16.017 0.501 1.00 0.00 H new ATOM 604 N VAL A 39 -8.113 -12.340 -2.800 1.00 0.00 N ATOM 605 CA VAL A 39 -9.083 -11.272 -3.009 1.00 0.00 C ATOM 606 C VAL A 39 -9.666 -10.823 -1.673 1.00 0.00 C ATOM 607 O VAL A 39 -10.181 -11.635 -0.905 1.00 0.00 O ATOM 608 CB VAL A 39 -10.213 -11.766 -3.911 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.195 -10.622 -4.172 1.00 0.00 C ATOM 610 CG2 VAL A 39 -9.631 -12.259 -5.237 1.00 0.00 C ATOM 0 H VAL A 39 -8.507 -13.281 -2.815 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.578 -10.430 -3.483 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.737 -12.587 -3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.001 -10.974 -4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.611 -10.276 -3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.673 -9.799 -4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.438 -12.611 -5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.105 -11.441 -5.730 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.935 -13.076 -5.047 1.00 0.00 H new ATOM 620 N VAL A 40 -9.580 -9.527 -1.402 1.00 0.00 N ATOM 621 CA VAL A 40 -10.106 -8.983 -0.159 1.00 0.00 C ATOM 622 C VAL A 40 -11.628 -9.095 -0.116 1.00 0.00 C ATOM 623 O VAL A 40 -12.205 -9.438 0.916 1.00 0.00 O ATOM 624 CB VAL A 40 -9.657 -7.521 -0.001 1.00 0.00 C ATOM 625 CG1 VAL A 40 -9.869 -6.753 -1.311 1.00 0.00 C ATOM 626 CG2 VAL A 40 -10.459 -6.847 1.121 1.00 0.00 C ATOM 0 H VAL A 40 -9.154 -8.838 -2.022 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.710 -9.563 0.674 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.597 -7.509 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.547 -5.720 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.286 -7.220 -2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.926 -6.773 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.136 -5.811 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.521 -6.872 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.291 -7.378 2.058 1.00 0.00 H new ATOM 636 N ARG A 41 -12.269 -8.795 -1.238 1.00 0.00 N ATOM 637 CA ARG A 41 -13.719 -8.851 -1.319 1.00 0.00 C ATOM 638 C ARG A 41 -14.173 -8.597 -2.751 1.00 0.00 C ATOM 639 O ARG A 41 -13.461 -7.967 -3.531 1.00 0.00 O ATOM 640 CB ARG A 41 -14.324 -7.786 -0.398 1.00 0.00 C ATOM 641 CG ARG A 41 -13.959 -6.392 -0.916 1.00 0.00 C ATOM 642 CD ARG A 41 -14.389 -5.341 0.110 1.00 0.00 C ATOM 643 NE ARG A 41 -14.064 -4.001 -0.372 1.00 0.00 N ATOM 644 CZ ARG A 41 -14.912 -3.312 -1.133 1.00 0.00 C ATOM 645 NH1 ARG A 41 -16.061 -3.832 -1.469 1.00 0.00 N ATOM 646 NH2 ARG A 41 -14.594 -2.115 -1.542 1.00 0.00 N ATOM 0 H ARG A 41 -11.807 -8.511 -2.102 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.054 -9.840 -1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.407 -7.898 -0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.953 -7.916 0.618 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.885 -6.327 -1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.450 -6.206 -1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.461 -5.419 0.294 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.888 -5.525 1.061 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.168 -3.584 -0.120 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.311 -4.768 -1.149 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.709 -3.303 -2.052 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.697 -1.708 -1.279 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.243 -1.586 -2.125 1.00 0.00 H new ATOM 660 N VAL A 42 -15.369 -9.070 -3.087 1.00 0.00 N ATOM 661 CA VAL A 42 -15.923 -8.867 -4.430 1.00 0.00 C ATOM 662 C VAL A 42 -17.332 -8.295 -4.326 1.00 0.00 C ATOM 663 O VAL A 42 -18.230 -8.932 -3.775 1.00 0.00 O ATOM 664 CB VAL A 42 -15.954 -10.196 -5.184 1.00 0.00 C ATOM 665 CG1 VAL A 42 -14.529 -10.743 -5.292 1.00 0.00 C ATOM 666 CG2 VAL A 42 -16.845 -11.200 -4.434 1.00 0.00 C ATOM 0 H VAL A 42 -15.974 -9.594 -2.455 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.293 -8.164 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.362 -10.042 -6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.543 -11.691 -5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.905 -10.030 -5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.122 -10.898 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.864 -12.146 -4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.446 -11.363 -3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.858 -10.804 -4.361 1.00 0.00 H new ATOM 676 N ALA A 43 -17.523 -7.082 -4.845 1.00 0.00 N ATOM 677 CA ALA A 43 -18.836 -6.438 -4.790 1.00 0.00 C ATOM 678 C ALA A 43 -19.625 -6.715 -6.084 1.00 0.00 C ATOM 679 O ALA A 43 -19.267 -6.192 -7.141 1.00 0.00 O ATOM 680 CB ALA A 43 -18.649 -4.924 -4.617 1.00 0.00 C ATOM 0 H ALA A 43 -16.796 -6.531 -5.302 1.00 0.00 H new ATOM 0 HA ALA A 43 -19.395 -6.842 -3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -19.624 -4.439 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -18.107 -4.728 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -18.083 -4.529 -5.460 1.00 0.00 H new ATOM 686 N PRO A 44 -20.684 -7.510 -6.040 1.00 0.00 N ATOM 687 CA PRO A 44 -21.498 -7.817 -7.252 1.00 0.00 C ATOM 688 C PRO A 44 -22.420 -6.662 -7.635 1.00 0.00 C ATOM 689 O PRO A 44 -23.032 -6.675 -8.702 1.00 0.00 O ATOM 690 CB PRO A 44 -22.288 -9.070 -6.860 1.00 0.00 C ATOM 691 CG PRO A 44 -22.437 -8.987 -5.372 1.00 0.00 C ATOM 692 CD PRO A 44 -21.230 -8.197 -4.846 1.00 0.00 C ATOM 0 HA PRO A 44 -20.878 -7.973 -8.135 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.260 -9.094 -7.353 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -21.760 -9.977 -7.153 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -23.370 -8.490 -5.104 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -22.468 -9.983 -4.931 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -21.528 -7.482 -4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -20.489 -8.858 -4.396 1.00 0.00 H new ATOM 700 N LEU A 45 -22.547 -5.688 -6.738 1.00 0.00 N ATOM 701 CA LEU A 45 -23.429 -4.553 -6.975 1.00 0.00 C ATOM 702 C LEU A 45 -23.055 -3.831 -8.266 1.00 0.00 C ATOM 703 O LEU A 45 -23.915 -3.269 -8.940 1.00 0.00 O ATOM 704 CB LEU A 45 -23.338 -3.570 -5.795 1.00 0.00 C ATOM 705 CG LEU A 45 -24.587 -2.662 -5.758 1.00 0.00 C ATOM 706 CD1 LEU A 45 -25.713 -3.352 -4.978 1.00 0.00 C ATOM 707 CD2 LEU A 45 -24.248 -1.335 -5.069 1.00 0.00 C ATOM 0 H LEU A 45 -22.053 -5.663 -5.846 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.449 -4.926 -7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.253 -4.122 -4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.439 -2.960 -5.889 1.00 0.00 H new ATOM 0 HG LEU A 45 -24.911 -2.473 -6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -26.590 -2.705 -4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -25.968 -4.294 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -25.382 -3.548 -3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -25.134 -0.700 -5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -23.915 -1.529 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.454 -0.831 -5.620 1.00 0.00 H new ATOM 719 N GLY A 46 -21.769 -3.850 -8.611 1.00 0.00 N ATOM 720 CA GLY A 46 -21.296 -3.191 -9.831 1.00 0.00 C ATOM 721 C GLY A 46 -20.035 -2.383 -9.559 1.00 0.00 C ATOM 722 O GLY A 46 -19.716 -1.447 -10.291 1.00 0.00 O ATOM 0 H GLY A 46 -21.039 -4.311 -8.068 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.095 -3.939 -10.598 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.075 -2.536 -10.221 1.00 0.00 H new ATOM 726 N ASP A 47 -19.316 -2.748 -8.499 1.00 0.00 N ATOM 727 CA ASP A 47 -18.084 -2.048 -8.136 1.00 0.00 C ATOM 728 C ASP A 47 -16.873 -2.812 -8.683 1.00 0.00 C ATOM 729 O ASP A 47 -16.962 -4.003 -8.981 1.00 0.00 O ATOM 730 CB ASP A 47 -17.998 -1.924 -6.593 1.00 0.00 C ATOM 731 CG ASP A 47 -18.308 -0.495 -6.140 1.00 0.00 C ATOM 732 OD1 ASP A 47 -19.297 0.052 -6.600 1.00 0.00 O ATOM 733 OD2 ASP A 47 -17.546 0.032 -5.346 1.00 0.00 O ATOM 0 H ASP A 47 -19.563 -3.520 -7.879 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.088 -1.048 -8.571 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -18.700 -2.617 -6.129 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.001 -2.208 -6.257 1.00 0.00 H new ATOM 738 N PRO A 48 -15.753 -2.152 -8.810 1.00 0.00 N ATOM 739 CA PRO A 48 -14.500 -2.778 -9.331 1.00 0.00 C ATOM 740 C PRO A 48 -14.052 -3.950 -8.466 1.00 0.00 C ATOM 741 O PRO A 48 -14.631 -4.214 -7.411 1.00 0.00 O ATOM 742 CB PRO A 48 -13.467 -1.632 -9.298 1.00 0.00 C ATOM 743 CG PRO A 48 -14.035 -0.626 -8.344 1.00 0.00 C ATOM 744 CD PRO A 48 -15.549 -0.737 -8.471 1.00 0.00 C ATOM 0 HA PRO A 48 -14.633 -3.196 -10.329 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -12.493 -1.988 -8.963 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.325 -1.200 -10.289 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.713 -0.831 -7.323 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.695 0.380 -8.590 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -16.052 -0.469 -7.542 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -15.938 -0.077 -9.246 1.00 0.00 H new ATOM 752 N ILE A 49 -13.021 -4.658 -8.923 1.00 0.00 N ATOM 753 CA ILE A 49 -12.511 -5.809 -8.191 1.00 0.00 C ATOM 754 C ILE A 49 -11.377 -5.382 -7.269 1.00 0.00 C ATOM 755 O ILE A 49 -10.316 -4.963 -7.729 1.00 0.00 O ATOM 756 CB ILE A 49 -11.992 -6.856 -9.183 1.00 0.00 C ATOM 757 CG1 ILE A 49 -12.951 -6.929 -10.378 1.00 0.00 C ATOM 758 CG2 ILE A 49 -11.885 -8.236 -8.502 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.383 -7.177 -9.887 1.00 0.00 C ATOM 0 H ILE A 49 -12.527 -4.454 -9.792 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.317 -6.235 -7.593 1.00 0.00 H new ATOM 0 HB ILE A 49 -10.999 -6.568 -9.527 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -12.908 -6.000 -10.946 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.645 -7.729 -11.052 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.515 -8.968 -9.220 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.196 -8.174 -7.660 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -12.868 -8.543 -8.145 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.057 -7.227 -10.742 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.422 -8.118 -9.338 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.689 -6.362 -9.231 1.00 0.00 H new ATOM 771 N HIS A 50 -11.607 -5.500 -5.966 1.00 0.00 N ATOM 772 CA HIS A 50 -10.595 -5.131 -4.981 1.00 0.00 C ATOM 773 C HIS A 50 -9.816 -6.359 -4.549 1.00 0.00 C ATOM 774 O HIS A 50 -10.394 -7.325 -4.051 1.00 0.00 O ATOM 775 CB HIS A 50 -11.261 -4.497 -3.759 1.00 0.00 C ATOM 776 CG HIS A 50 -11.760 -3.123 -4.112 1.00 0.00 C ATOM 777 ND1 HIS A 50 -11.705 -2.068 -3.216 1.00 0.00 N ATOM 778 CD2 HIS A 50 -12.308 -2.608 -5.261 1.00 0.00 C ATOM 779 CE1 HIS A 50 -12.205 -0.982 -3.833 1.00 0.00 C ATOM 780 NE2 HIS A 50 -12.587 -1.255 -5.082 1.00 0.00 N ATOM 0 H HIS A 50 -12.480 -5.846 -5.568 1.00 0.00 H new ATOM 0 HA HIS A 50 -9.912 -4.412 -5.435 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.089 -5.119 -3.420 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.550 -4.436 -2.935 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -11.350 -2.107 -2.261 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.494 -3.167 -6.166 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.287 -0.008 -3.373 1.00 0.00 H new ATOM 788 N ILE A 51 -8.498 -6.318 -4.739 1.00 0.00 N ATOM 789 CA ILE A 51 -7.638 -7.437 -4.360 1.00 0.00 C ATOM 790 C ILE A 51 -6.516 -6.956 -3.452 1.00 0.00 C ATOM 791 O ILE A 51 -6.059 -5.816 -3.566 1.00 0.00 O ATOM 792 CB ILE A 51 -7.052 -8.099 -5.617 1.00 0.00 C ATOM 793 CG1 ILE A 51 -6.228 -7.083 -6.421 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.193 -8.616 -6.494 1.00 0.00 C ATOM 795 CD1 ILE A 51 -5.478 -7.805 -7.541 1.00 0.00 C ATOM 0 H ILE A 51 -8.005 -5.526 -5.151 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.235 -8.171 -3.819 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.407 -8.923 -5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.883 -6.319 -6.841 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.522 -6.573 -5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.781 -9.086 -7.387 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.778 -9.347 -5.936 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.834 -7.784 -6.785 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.893 -7.083 -8.111 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.812 -8.552 -7.110 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.194 -8.295 -8.201 1.00 0.00 H new ATOM 807 N GLU A 52 -6.064 -7.833 -2.553 1.00 0.00 N ATOM 808 CA GLU A 52 -4.982 -7.485 -1.631 1.00 0.00 C ATOM 809 C GLU A 52 -3.897 -8.546 -1.658 1.00 0.00 C ATOM 810 O GLU A 52 -4.184 -9.743 -1.636 1.00 0.00 O ATOM 811 CB GLU A 52 -5.522 -7.329 -0.204 1.00 0.00 C ATOM 812 CG GLU A 52 -6.320 -6.025 -0.097 1.00 0.00 C ATOM 813 CD GLU A 52 -6.887 -5.877 1.312 1.00 0.00 C ATOM 814 OE1 GLU A 52 -6.605 -6.731 2.136 1.00 0.00 O ATOM 815 OE2 GLU A 52 -7.597 -4.912 1.546 1.00 0.00 O ATOM 0 H GLU A 52 -6.426 -8.780 -2.444 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.554 -6.536 -1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.157 -8.178 0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.698 -7.322 0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.678 -5.176 -0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.130 -6.023 -0.826 1.00 0.00 H new ATOM 822 N THR A 53 -2.643 -8.098 -1.711 1.00 0.00 N ATOM 823 CA THR A 53 -1.504 -9.015 -1.743 1.00 0.00 C ATOM 824 C THR A 53 -0.524 -8.658 -0.636 1.00 0.00 C ATOM 825 O THR A 53 -0.347 -7.484 -0.303 1.00 0.00 O ATOM 826 CB THR A 53 -0.795 -8.931 -3.102 1.00 0.00 C ATOM 827 OG1 THR A 53 0.224 -7.941 -3.039 1.00 0.00 O ATOM 828 CG2 THR A 53 -1.802 -8.545 -4.193 1.00 0.00 C ATOM 0 H THR A 53 -2.391 -7.110 -1.733 1.00 0.00 H new ATOM 0 HA THR A 53 -1.867 -10.032 -1.593 1.00 0.00 H new ATOM 0 HB THR A 53 -0.359 -9.901 -3.339 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.164 -7.060 -3.225 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.292 -8.487 -5.155 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.589 -9.297 -4.244 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.241 -7.576 -3.956 1.00 0.00 H new ATOM 836 N ARG A 54 0.112 -9.677 -0.075 1.00 0.00 N ATOM 837 CA ARG A 54 1.059 -9.468 1.008 1.00 0.00 C ATOM 838 C ARG A 54 2.059 -8.385 0.629 1.00 0.00 C ATOM 839 O ARG A 54 2.447 -7.565 1.462 1.00 0.00 O ATOM 840 CB ARG A 54 1.803 -10.772 1.295 1.00 0.00 C ATOM 841 CG ARG A 54 0.790 -11.856 1.667 1.00 0.00 C ATOM 842 CD ARG A 54 1.523 -13.176 1.921 1.00 0.00 C ATOM 843 NE ARG A 54 2.345 -13.073 3.123 1.00 0.00 N ATOM 844 CZ ARG A 54 3.163 -14.057 3.486 1.00 0.00 C ATOM 845 NH1 ARG A 54 3.254 -15.134 2.757 1.00 0.00 N ATOM 846 NH2 ARG A 54 3.878 -13.943 4.572 1.00 0.00 N ATOM 0 H ARG A 54 -0.010 -10.651 -0.351 1.00 0.00 H new ATOM 0 HA ARG A 54 0.515 -9.153 1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.376 -11.078 0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.515 -10.628 2.108 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.235 -11.559 2.557 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.063 -11.980 0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.801 -13.985 2.033 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.149 -13.424 1.064 1.00 0.00 H new ATOM 0 HE ARG A 54 2.291 -12.230 3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.697 -15.223 1.907 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.882 -15.888 3.037 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.809 -13.100 5.142 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.505 -14.697 4.851 1.00 0.00 H new ATOM 860 N ARG A 55 2.471 -8.382 -0.631 1.00 0.00 N ATOM 861 CA ARG A 55 3.420 -7.388 -1.103 1.00 0.00 C ATOM 862 C ARG A 55 2.789 -5.997 -1.110 1.00 0.00 C ATOM 863 O ARG A 55 3.416 -5.019 -0.700 1.00 0.00 O ATOM 864 CB ARG A 55 3.890 -7.749 -2.519 1.00 0.00 C ATOM 865 CG ARG A 55 4.928 -6.727 -3.013 1.00 0.00 C ATOM 866 CD ARG A 55 6.166 -6.742 -2.102 1.00 0.00 C ATOM 867 NE ARG A 55 5.988 -5.806 -0.996 1.00 0.00 N ATOM 868 CZ ARG A 55 6.878 -5.727 -0.013 1.00 0.00 C ATOM 869 NH1 ARG A 55 7.926 -6.504 -0.020 1.00 0.00 N ATOM 870 NH2 ARG A 55 6.702 -4.875 0.960 1.00 0.00 N ATOM 0 H ARG A 55 2.165 -9.051 -1.338 1.00 0.00 H new ATOM 0 HA ARG A 55 4.274 -7.378 -0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.324 -8.749 -2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.038 -7.770 -3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.219 -6.960 -4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.489 -5.729 -3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.329 -7.748 -1.715 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.053 -6.474 -2.676 1.00 0.00 H new ATOM 0 HE ARG A 55 5.166 -5.202 -0.978 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.061 -7.171 -0.780 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.610 -6.444 0.734 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.881 -4.270 0.966 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.385 -4.814 1.715 1.00 0.00 H new ATOM 884 N VAL A 56 1.551 -5.911 -1.587 1.00 0.00 N ATOM 885 CA VAL A 56 0.862 -4.630 -1.650 1.00 0.00 C ATOM 886 C VAL A 56 -0.599 -4.827 -2.013 1.00 0.00 C ATOM 887 O VAL A 56 -1.033 -5.946 -2.289 1.00 0.00 O ATOM 888 CB VAL A 56 1.535 -3.731 -2.694 1.00 0.00 C ATOM 889 CG1 VAL A 56 1.340 -4.324 -4.093 1.00 0.00 C ATOM 890 CG2 VAL A 56 0.939 -2.309 -2.651 1.00 0.00 C ATOM 0 H VAL A 56 1.011 -6.704 -1.932 1.00 0.00 H new ATOM 0 HA VAL A 56 0.918 -4.157 -0.670 1.00 0.00 H new ATOM 0 HB VAL A 56 2.599 -3.673 -2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.820 -3.681 -4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.786 -5.318 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.275 -4.396 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.430 -1.686 -3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.129 -2.356 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.095 -1.879 -1.662 1.00 0.00 H new ATOM 900 N SER A 57 -1.352 -3.731 -2.031 1.00 0.00 N ATOM 901 CA SER A 57 -2.767 -3.786 -2.379 1.00 0.00 C ATOM 902 C SER A 57 -2.993 -3.224 -3.776 1.00 0.00 C ATOM 903 O SER A 57 -2.262 -2.341 -4.226 1.00 0.00 O ATOM 904 CB SER A 57 -3.588 -2.987 -1.371 1.00 0.00 C ATOM 905 OG SER A 57 -4.962 -3.058 -1.731 1.00 0.00 O ATOM 0 H SER A 57 -1.007 -2.797 -1.809 1.00 0.00 H new ATOM 0 HA SER A 57 -3.085 -4.828 -2.359 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.441 -3.385 -0.367 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.257 -1.949 -1.354 1.00 0.00 H new ATOM 0 HG SER A 57 -5.496 -2.548 -1.086 1.00 0.00 H new ATOM 911 N LEU A 58 -4.007 -3.748 -4.464 1.00 0.00 N ATOM 912 CA LEU A 58 -4.321 -3.292 -5.818 1.00 0.00 C ATOM 913 C LEU A 58 -5.802 -3.499 -6.113 1.00 0.00 C ATOM 914 O LEU A 58 -6.424 -4.431 -5.603 1.00 0.00 O ATOM 915 CB LEU A 58 -3.472 -4.067 -6.838 1.00 0.00 C ATOM 916 CG LEU A 58 -3.773 -3.596 -8.272 1.00 0.00 C ATOM 917 CD1 LEU A 58 -3.406 -2.112 -8.440 1.00 0.00 C ATOM 918 CD2 LEU A 58 -2.954 -4.440 -9.253 1.00 0.00 C ATOM 0 H LEU A 58 -4.620 -4.482 -4.110 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.093 -2.229 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.414 -3.926 -6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.676 -5.134 -6.751 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.838 -3.714 -8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.625 -1.796 -9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.988 -1.512 -7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.344 -1.975 -8.238 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.160 -4.115 -10.273 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.892 -4.317 -9.040 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.227 -5.490 -9.145 1.00 0.00 H new ATOM 930 N VAL A 59 -6.358 -2.628 -6.953 1.00 0.00 N ATOM 931 CA VAL A 59 -7.767 -2.723 -7.341 1.00 0.00 C ATOM 932 C VAL A 59 -7.884 -2.678 -8.857 1.00 0.00 C ATOM 933 O VAL A 59 -7.338 -1.784 -9.501 1.00 0.00 O ATOM 934 CB VAL A 59 -8.569 -1.574 -6.731 1.00 0.00 C ATOM 935 CG1 VAL A 59 -8.028 -0.236 -7.239 1.00 0.00 C ATOM 936 CG2 VAL A 59 -10.038 -1.717 -7.140 1.00 0.00 C ATOM 0 H VAL A 59 -5.856 -1.849 -7.379 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.169 -3.666 -6.970 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.481 -1.606 -5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.604 0.579 -6.801 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.981 -0.135 -6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.114 -0.198 -8.325 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.617 -0.901 -6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.118 -1.684 -8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.426 -2.669 -6.776 1.00 0.00 H new ATOM 946 N LEU A 60 -8.590 -3.652 -9.421 1.00 0.00 N ATOM 947 CA LEU A 60 -8.768 -3.729 -10.870 1.00 0.00 C ATOM 948 C LEU A 60 -10.235 -3.965 -11.210 1.00 0.00 C ATOM 949 O LEU A 60 -11.022 -4.371 -10.358 1.00 0.00 O ATOM 950 CB LEU A 60 -7.933 -4.880 -11.428 1.00 0.00 C ATOM 951 CG LEU A 60 -6.455 -4.690 -11.064 1.00 0.00 C ATOM 952 CD1 LEU A 60 -5.668 -5.960 -11.421 1.00 0.00 C ATOM 953 CD2 LEU A 60 -5.868 -3.494 -11.840 1.00 0.00 C ATOM 0 H LEU A 60 -9.048 -4.399 -8.899 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.444 -2.787 -11.313 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.294 -5.828 -11.028 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.045 -4.928 -12.511 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.378 -4.498 -9.994 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.618 -5.823 -11.162 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.071 -6.806 -10.865 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.755 -6.154 -12.490 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.818 -3.368 -11.574 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.952 -3.679 -12.911 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.418 -2.589 -11.584 1.00 0.00 H new ATOM 965 N ARG A 61 -10.595 -3.702 -12.461 1.00 0.00 N ATOM 966 CA ARG A 61 -11.971 -3.888 -12.915 1.00 0.00 C ATOM 967 C ARG A 61 -12.205 -5.331 -13.351 1.00 0.00 C ATOM 968 O ARG A 61 -11.273 -6.126 -13.429 1.00 0.00 O ATOM 969 CB ARG A 61 -12.259 -2.940 -14.085 1.00 0.00 C ATOM 970 CG ARG A 61 -12.315 -1.482 -13.589 1.00 0.00 C ATOM 971 CD ARG A 61 -13.731 -1.139 -13.106 1.00 0.00 C ATOM 972 NE ARG A 61 -14.651 -1.114 -14.238 1.00 0.00 N ATOM 973 CZ ARG A 61 -15.946 -0.876 -14.066 1.00 0.00 C ATOM 974 NH1 ARG A 61 -16.421 -0.667 -12.868 1.00 0.00 N ATOM 975 NH2 ARG A 61 -16.745 -0.854 -15.098 1.00 0.00 N ATOM 0 H ARG A 61 -9.956 -3.360 -13.179 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.644 -3.664 -12.088 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.485 -3.043 -14.845 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.205 -3.208 -14.555 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.602 -1.339 -12.777 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.023 -0.806 -14.393 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.063 -1.875 -12.373 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.729 -0.170 -12.607 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.293 -1.282 -15.178 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.797 -0.686 -12.061 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.416 -0.484 -12.739 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.374 -1.019 -16.034 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.740 -0.671 -14.969 1.00 0.00 H new ATOM 989 N LYS A 62 -13.461 -5.662 -13.626 1.00 0.00 N ATOM 990 CA LYS A 62 -13.815 -7.013 -14.049 1.00 0.00 C ATOM 991 C LYS A 62 -13.122 -7.364 -15.366 1.00 0.00 C ATOM 992 O LYS A 62 -12.648 -8.489 -15.554 1.00 0.00 O ATOM 993 CB LYS A 62 -15.330 -7.109 -14.228 1.00 0.00 C ATOM 994 CG LYS A 62 -15.715 -8.555 -14.544 1.00 0.00 C ATOM 995 CD LYS A 62 -17.242 -8.695 -14.579 1.00 0.00 C ATOM 996 CE LYS A 62 -17.810 -8.026 -15.836 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.216 -8.470 -16.036 1.00 0.00 N ATOM 0 H LYS A 62 -14.249 -5.017 -13.564 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.487 -7.717 -13.284 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.836 -6.776 -13.322 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.654 -6.451 -15.034 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.292 -8.851 -15.504 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.297 -9.224 -13.792 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.518 -9.749 -14.564 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.676 -8.240 -13.689 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.770 -6.941 -15.735 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.207 -8.287 -16.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -19.605 -8.018 -16.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.241 -9.503 -16.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.786 -8.199 -15.210 1.00 0.00 H new ATOM 1011 N LYS A 63 -13.065 -6.394 -16.272 1.00 0.00 N ATOM 1012 CA LYS A 63 -12.432 -6.609 -17.567 1.00 0.00 C ATOM 1013 C LYS A 63 -10.963 -6.976 -17.388 1.00 0.00 C ATOM 1014 O LYS A 63 -10.438 -7.837 -18.092 1.00 0.00 O ATOM 1015 CB LYS A 63 -12.545 -5.346 -18.423 1.00 0.00 C ATOM 1016 CG LYS A 63 -14.002 -5.118 -18.811 1.00 0.00 C ATOM 1017 CD LYS A 63 -14.101 -3.852 -19.661 1.00 0.00 C ATOM 1018 CE LYS A 63 -15.552 -3.642 -20.078 1.00 0.00 C ATOM 1019 NZ LYS A 63 -15.660 -2.413 -20.914 1.00 0.00 N ATOM 0 H LYS A 63 -13.446 -5.458 -16.135 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.943 -7.431 -18.068 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.167 -4.486 -17.871 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.931 -5.445 -19.318 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.381 -5.975 -19.367 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.618 -5.020 -17.917 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.744 -2.991 -19.096 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.466 -3.940 -20.542 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.909 -4.507 -20.637 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.185 -3.550 -19.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.651 -2.272 -21.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.336 -1.591 -20.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.069 -2.518 -21.763 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.307 -6.326 -16.435 1.00 0.00 N ATOM 1034 CA ASP A 64 -8.901 -6.598 -16.169 1.00 0.00 C ATOM 1035 C ASP A 64 -8.699 -8.073 -15.844 1.00 0.00 C ATOM 1036 O ASP A 64 -7.800 -8.719 -16.382 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.441 -5.762 -14.983 1.00 0.00 C ATOM 1038 CG ASP A 64 -6.991 -6.088 -14.638 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -6.759 -7.158 -14.099 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -6.137 -5.264 -14.916 1.00 0.00 O ATOM 0 H ASP A 64 -10.723 -5.612 -15.837 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.320 -6.344 -17.056 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.537 -4.702 -15.217 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.080 -5.957 -14.122 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.545 -8.605 -14.963 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.440 -10.009 -14.586 1.00 0.00 C ATOM 1047 C LEU A 65 -9.677 -10.892 -15.803 1.00 0.00 C ATOM 1048 O LEU A 65 -8.988 -11.894 -15.993 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.452 -10.360 -13.471 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.849 -10.055 -12.093 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.645 -8.546 -11.940 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.778 -10.565 -10.992 1.00 0.00 C ATOM 0 H LEU A 65 -10.299 -8.093 -14.505 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.435 -10.187 -14.202 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.369 -9.788 -13.609 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.721 -11.414 -13.533 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.886 -10.558 -12.007 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.217 -8.334 -10.960 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.968 -8.190 -12.717 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.605 -8.038 -12.034 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.343 -10.345 -10.017 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.747 -10.073 -11.076 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.908 -11.642 -11.096 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.649 -10.517 -16.623 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.950 -11.296 -17.815 1.00 0.00 C ATOM 1066 C ALA A 66 -9.703 -11.445 -18.686 1.00 0.00 C ATOM 1067 O ALA A 66 -9.307 -12.557 -19.032 1.00 0.00 O ATOM 1068 CB ALA A 66 -12.056 -10.609 -18.618 1.00 0.00 C ATOM 0 H ALA A 66 -11.234 -9.692 -16.488 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.285 -12.287 -17.507 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.277 -11.196 -19.509 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.954 -10.528 -18.005 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.726 -9.613 -18.913 1.00 0.00 H new ATOM 1074 N LEU A 67 -9.085 -10.318 -19.032 1.00 0.00 N ATOM 1075 CA LEU A 67 -7.877 -10.343 -19.858 1.00 0.00 C ATOM 1076 C LEU A 67 -6.693 -10.924 -19.086 1.00 0.00 C ATOM 1077 O LEU A 67 -5.903 -11.693 -19.634 1.00 0.00 O ATOM 1078 CB LEU A 67 -7.533 -8.922 -20.340 1.00 0.00 C ATOM 1079 CG LEU A 67 -8.347 -8.572 -21.591 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -9.835 -8.520 -21.244 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -7.895 -7.210 -22.116 1.00 0.00 C ATOM 0 H LEU A 67 -9.395 -9.386 -18.758 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.074 -10.981 -20.720 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.742 -8.202 -19.549 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.468 -8.853 -20.560 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.187 -9.333 -22.355 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.408 -8.271 -22.137 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.155 -9.491 -20.867 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.004 -7.761 -20.481 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.470 -6.954 -23.006 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.057 -6.452 -21.349 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.835 -7.250 -22.368 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.563 -10.543 -17.820 1.00 0.00 N ATOM 1094 CA LEU A 68 -5.456 -11.025 -17.003 1.00 0.00 C ATOM 1095 C LEU A 68 -5.491 -12.540 -16.926 1.00 0.00 C ATOM 1096 O LEU A 68 -6.531 -13.131 -16.635 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.556 -10.435 -15.594 1.00 0.00 C ATOM 1098 CG LEU A 68 -4.313 -10.800 -14.771 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -3.057 -10.151 -15.380 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -4.512 -10.313 -13.334 1.00 0.00 C ATOM 0 H LEU A 68 -7.203 -9.909 -17.341 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.516 -10.712 -17.458 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.655 -9.351 -15.653 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.451 -10.811 -15.098 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.176 -11.881 -14.779 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.184 -10.419 -14.785 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.923 -10.506 -16.402 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.174 -9.067 -15.385 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.635 -10.567 -12.739 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.651 -9.232 -13.332 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.392 -10.793 -12.906 1.00 0.00 H new ATOM 1112 N GLU A 69 -4.350 -13.170 -17.191 1.00 0.00 N ATOM 1113 CA GLU A 69 -4.278 -14.627 -17.152 1.00 0.00 C ATOM 1114 C GLU A 69 -4.051 -15.105 -15.724 1.00 0.00 C ATOM 1115 O GLU A 69 -3.000 -14.852 -15.128 1.00 0.00 O ATOM 1116 CB GLU A 69 -3.144 -15.121 -18.050 1.00 0.00 C ATOM 1117 CG GLU A 69 -3.483 -14.836 -19.512 1.00 0.00 C ATOM 1118 CD GLU A 69 -2.307 -15.230 -20.400 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -1.316 -15.695 -19.862 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -2.414 -15.060 -21.604 1.00 0.00 O ATOM 0 H GLU A 69 -3.475 -12.703 -17.431 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.222 -15.033 -17.515 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.211 -14.626 -17.780 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.991 -16.190 -17.904 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.374 -15.393 -19.804 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.711 -13.778 -19.643 1.00 0.00 H new ATOM 1127 N VAL A 70 -5.048 -15.801 -15.175 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.961 -16.317 -13.809 1.00 0.00 C ATOM 1129 C VAL A 70 -5.379 -17.776 -13.753 1.00 0.00 C ATOM 1130 O VAL A 70 -6.087 -18.266 -14.633 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.861 -15.500 -12.879 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -5.283 -14.093 -12.704 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -7.260 -15.403 -13.495 1.00 0.00 C ATOM 0 H VAL A 70 -5.922 -16.019 -15.654 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.924 -16.234 -13.484 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.918 -15.987 -11.906 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.927 -13.515 -12.041 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.285 -14.161 -12.272 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.225 -13.600 -13.674 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.907 -14.822 -12.838 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.196 -14.914 -14.467 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.673 -16.404 -13.619 1.00 0.00 H new ATOM 1143 N GLU A 71 -4.934 -18.469 -12.706 1.00 0.00 N ATOM 1144 CA GLU A 71 -5.266 -19.884 -12.532 1.00 0.00 C ATOM 1145 C GLU A 71 -5.460 -20.216 -11.057 1.00 0.00 C ATOM 1146 O GLU A 71 -4.737 -19.714 -10.197 1.00 0.00 O ATOM 1147 CB GLU A 71 -4.153 -20.764 -13.106 1.00 0.00 C ATOM 1148 CG GLU A 71 -4.134 -20.639 -14.633 1.00 0.00 C ATOM 1149 CD GLU A 71 -3.023 -21.503 -15.219 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -2.333 -22.151 -14.451 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -2.881 -21.506 -16.431 1.00 0.00 O ATOM 0 H GLU A 71 -4.347 -18.078 -11.969 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.196 -20.080 -13.065 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.189 -20.463 -12.695 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.312 -21.803 -12.818 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.097 -20.945 -15.042 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.983 -19.598 -14.918 1.00 0.00 H new ATOM 1158 N ALA A 72 -6.435 -21.075 -10.774 1.00 0.00 N ATOM 1159 CA ALA A 72 -6.712 -21.481 -9.401 1.00 0.00 C ATOM 1160 C ALA A 72 -5.586 -22.364 -8.879 1.00 0.00 C ATOM 1161 O ALA A 72 -4.995 -23.138 -9.632 1.00 0.00 O ATOM 1162 CB ALA A 72 -8.036 -22.244 -9.339 1.00 0.00 C ATOM 0 H ALA A 72 -7.043 -21.501 -11.473 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.783 -20.589 -8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.235 -22.544 -8.310 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.843 -21.602 -9.693 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.975 -23.131 -9.970 1.00 0.00 H new ATOM 1168 N VAL A 73 -5.287 -22.242 -7.588 1.00 0.00 N ATOM 1169 CA VAL A 73 -4.221 -23.033 -6.974 1.00 0.00 C ATOM 1170 C VAL A 73 -4.818 -24.163 -6.142 1.00 0.00 C ATOM 1171 O VAL A 73 -5.680 -23.934 -5.294 1.00 0.00 O ATOM 1172 CB VAL A 73 -3.363 -22.138 -6.074 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -2.178 -22.938 -5.528 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -2.839 -20.951 -6.883 1.00 0.00 C ATOM 0 H VAL A 73 -5.764 -21.607 -6.949 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.601 -23.458 -7.763 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.971 -21.777 -5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.570 -22.298 -4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.547 -23.785 -4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.572 -23.302 -6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.229 -20.315 -6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.235 -21.315 -7.714 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.680 -20.376 -7.271 1.00 0.00 H new