USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 606 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 Set 1.1: A 13 TYR OH : rot -155:sc= -7.39! USER MOD Set 1.2: A 34 THR OG1 : rot -93:sc= 0.162 USER MOD Single : A 0 MET CE :methyl 158:sc= -0.113 (180deg=-0.854) USER MOD Single : A 0 MET N :NH3+ 161:sc= -0.155 (180deg=-0.865) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -52:sc= -6.16! USER MOD Single : A 7 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 16 LYS NZ :NH3+ 152:sc= -1.15 (180deg=-2.43!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -8.27! C(o=-8.3!,f=-24!) USER MOD Single : A 24 SER OG : rot 10:sc= 0.644 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot -36:sc= 0.613! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -17:sc= 0.934 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0712 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -7.78! K(o=-7.8!,f=-1.7) USER MOD Single : A 62 SER OG : rot 180:sc= -0.201 USER MOD Single : A 67 GLN : amide:sc= 0.385 X(o=0.39,f=-0.021) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.251 USER MOD Single : A 75 GLN : amide:sc= -2.72! C(o=-2.7!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 7.515 13.980 1.768 1.00 0.00 N ATOM 2 CA MET A 0 8.337 12.751 1.575 1.00 0.00 C ATOM 3 C MET A 0 7.948 11.706 2.627 1.00 0.00 C ATOM 4 O MET A 0 7.068 11.923 3.434 1.00 0.00 O ATOM 5 CB MET A 0 9.821 13.100 1.720 1.00 0.00 C ATOM 6 CG MET A 0 10.006 14.079 2.881 1.00 0.00 C ATOM 7 SD MET A 0 11.774 14.303 3.204 1.00 0.00 S ATOM 8 CE MET A 0 12.187 15.167 1.668 1.00 0.00 C ATOM 0 H1 MET A 0 7.975 14.783 1.294 1.00 0.00 H new ATOM 0 H2 MET A 0 6.569 13.833 1.361 1.00 0.00 H new ATOM 0 H3 MET A 0 7.426 14.182 2.784 1.00 0.00 H new ATOM 0 HA MET A 0 8.158 12.346 0.579 1.00 0.00 H new ATOM 0 HB2 MET A 0 10.402 12.195 1.898 1.00 0.00 H new ATOM 0 HB3 MET A 0 10.193 13.542 0.796 1.00 0.00 H new ATOM 0 HG2 MET A 0 9.545 15.037 2.640 1.00 0.00 H new ATOM 0 HG3 MET A 0 9.507 13.700 3.773 1.00 0.00 H new ATOM 0 HE1 MET A 0 13.106 15.737 1.807 1.00 0.00 H new ATOM 0 HE2 MET A 0 12.329 14.440 0.868 1.00 0.00 H new ATOM 0 HE3 MET A 0 11.376 15.845 1.403 1.00 0.00 H new ATOM 18 N LYS A 1 8.595 10.572 2.616 1.00 0.00 N ATOM 19 CA LYS A 1 8.261 9.510 3.610 1.00 0.00 C ATOM 20 C LYS A 1 8.954 9.814 4.932 1.00 0.00 C ATOM 21 O LYS A 1 9.297 10.945 5.217 1.00 0.00 O ATOM 22 CB LYS A 1 8.727 8.154 3.083 1.00 0.00 C ATOM 23 CG LYS A 1 10.260 8.107 3.023 1.00 0.00 C ATOM 24 CD LYS A 1 10.726 8.419 1.600 1.00 0.00 C ATOM 25 CE LYS A 1 11.979 9.294 1.649 1.00 0.00 C ATOM 26 NZ LYS A 1 12.717 9.162 0.362 1.00 0.00 N ATOM 0 H LYS A 1 9.341 10.334 1.962 1.00 0.00 H new ATOM 0 HA LYS A 1 7.183 9.484 3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 1 8.356 7.358 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 1 8.311 7.979 2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 1 10.684 8.828 3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 1 10.616 7.122 3.326 1.00 0.00 H new ATOM 0 HD2 LYS A 1 10.938 7.493 1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 1 9.935 8.930 1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 1 11.704 10.335 1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 1 12.616 8.992 2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 13.571 9.755 0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 12.990 8.169 0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 12.106 9.470 -0.422 1.00 0.00 H new ATOM 40 N SER A 2 9.180 8.818 5.742 1.00 0.00 N ATOM 41 CA SER A 2 9.861 9.065 7.031 1.00 0.00 C ATOM 42 C SER A 2 11.276 8.502 6.893 1.00 0.00 C ATOM 43 O SER A 2 11.684 8.220 5.789 1.00 0.00 O ATOM 44 CB SER A 2 9.074 8.357 8.131 1.00 0.00 C ATOM 45 OG SER A 2 9.585 7.045 8.294 1.00 0.00 O ATOM 0 H SER A 2 8.921 7.848 5.563 1.00 0.00 H new ATOM 0 HA SER A 2 9.915 10.123 7.287 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.154 8.911 9.067 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.016 8.319 7.872 1.00 0.00 H new ATOM 0 HG SER A 2 9.610 6.593 7.425 1.00 0.00 H new ATOM 51 N PRO A 3 11.992 8.360 7.984 1.00 0.00 N ATOM 52 CA PRO A 3 13.363 7.811 7.939 1.00 0.00 C ATOM 53 C PRO A 3 13.338 6.299 7.617 1.00 0.00 C ATOM 54 O PRO A 3 13.748 5.492 8.424 1.00 0.00 O ATOM 55 CB PRO A 3 13.914 8.035 9.355 1.00 0.00 C ATOM 56 CG PRO A 3 12.768 8.616 10.222 1.00 0.00 C ATOM 57 CD PRO A 3 11.527 8.751 9.328 1.00 0.00 C ATOM 0 HA PRO A 3 13.969 8.288 7.169 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.275 7.097 9.777 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.761 8.721 9.331 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.560 7.962 11.069 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.052 9.586 10.631 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.719 8.105 9.671 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.144 9.771 9.334 1.00 0.00 H new ATOM 65 N GLU A 4 12.860 5.902 6.454 1.00 0.00 N ATOM 66 CA GLU A 4 12.818 4.457 6.108 1.00 0.00 C ATOM 67 C GLU A 4 11.769 3.755 6.963 1.00 0.00 C ATOM 68 O GLU A 4 12.036 2.741 7.577 1.00 0.00 O ATOM 69 CB GLU A 4 14.190 3.815 6.345 1.00 0.00 C ATOM 70 CG GLU A 4 15.261 4.590 5.575 1.00 0.00 C ATOM 71 CD GLU A 4 16.585 3.827 5.640 1.00 0.00 C ATOM 72 OE1 GLU A 4 16.958 3.418 6.727 1.00 0.00 O ATOM 73 OE2 GLU A 4 17.205 3.664 4.601 1.00 0.00 O ATOM 0 H GLU A 4 12.498 6.527 5.734 1.00 0.00 H new ATOM 0 HA GLU A 4 12.557 4.354 5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.423 3.814 7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.176 2.774 6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.955 4.722 4.537 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.381 5.586 6.001 1.00 0.00 H new ATOM 80 N GLU A 5 10.569 4.272 7.003 1.00 0.00 N ATOM 81 CA GLU A 5 9.518 3.601 7.816 1.00 0.00 C ATOM 82 C GLU A 5 8.525 2.933 6.880 1.00 0.00 C ATOM 83 O GLU A 5 7.814 2.023 7.252 1.00 0.00 O ATOM 84 CB GLU A 5 8.806 4.618 8.678 1.00 0.00 C ATOM 85 CG GLU A 5 7.944 3.901 9.721 1.00 0.00 C ATOM 86 CD GLU A 5 8.508 4.168 11.118 1.00 0.00 C ATOM 87 OE1 GLU A 5 9.648 3.803 11.355 1.00 0.00 O ATOM 88 OE2 GLU A 5 7.791 4.733 11.927 1.00 0.00 O ATOM 0 H GLU A 5 10.276 5.118 6.515 1.00 0.00 H new ATOM 0 HA GLU A 5 9.976 2.853 8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.533 5.261 9.174 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.182 5.261 8.057 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.914 4.251 9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.929 2.829 9.522 1.00 0.00 H new ATOM 95 N LEU A 6 8.470 3.386 5.663 1.00 0.00 N ATOM 96 CA LEU A 6 7.527 2.781 4.696 1.00 0.00 C ATOM 97 C LEU A 6 7.916 1.322 4.496 1.00 0.00 C ATOM 98 O LEU A 6 7.079 0.447 4.409 1.00 0.00 O ATOM 99 CB LEU A 6 7.617 3.476 3.341 1.00 0.00 C ATOM 100 CG LEU A 6 6.226 3.775 2.792 1.00 0.00 C ATOM 101 CD1 LEU A 6 6.251 3.664 1.267 1.00 0.00 C ATOM 102 CD2 LEU A 6 5.173 2.794 3.328 1.00 0.00 C ATOM 0 H LEU A 6 9.039 4.150 5.298 1.00 0.00 H new ATOM 0 HA LEU A 6 6.514 2.881 5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.181 4.404 3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.162 2.845 2.639 1.00 0.00 H new ATOM 0 HG LEU A 6 5.957 4.782 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.258 3.877 0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.965 4.381 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.547 2.655 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.197 3.044 2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.442 1.778 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.132 2.863 4.415 1.00 0.00 H new ATOM 114 N LYS A 7 9.191 1.057 4.417 1.00 0.00 N ATOM 115 CA LYS A 7 9.642 -0.348 4.215 1.00 0.00 C ATOM 116 C LYS A 7 8.969 -1.240 5.255 1.00 0.00 C ATOM 117 O LYS A 7 8.850 -2.438 5.083 1.00 0.00 O ATOM 118 CB LYS A 7 11.161 -0.434 4.370 1.00 0.00 C ATOM 119 CG LYS A 7 11.678 -1.648 3.596 1.00 0.00 C ATOM 120 CD LYS A 7 13.202 -1.716 3.703 1.00 0.00 C ATOM 121 CE LYS A 7 13.753 -2.554 2.548 1.00 0.00 C ATOM 122 NZ LYS A 7 14.927 -3.343 3.019 1.00 0.00 N ATOM 0 H LYS A 7 9.937 1.750 4.483 1.00 0.00 H new ATOM 0 HA LYS A 7 9.370 -0.678 3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.629 0.477 3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.427 -0.519 5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.235 -2.561 3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.380 -1.578 2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.625 -0.712 3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.492 -2.156 4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.980 -3.223 2.170 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.045 -1.906 1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.301 -3.912 2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.666 -2.696 3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.634 -3.972 3.793 1.00 0.00 H new ATOM 136 N GLY A 8 8.527 -0.663 6.335 1.00 0.00 N ATOM 137 CA GLY A 8 7.859 -1.473 7.392 1.00 0.00 C ATOM 138 C GLY A 8 6.536 -2.032 6.859 1.00 0.00 C ATOM 139 O GLY A 8 6.249 -3.204 6.999 1.00 0.00 O ATOM 0 H GLY A 8 8.599 0.335 6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.510 -2.290 7.703 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.676 -0.858 8.273 1.00 0.00 H new ATOM 143 N ILE A 9 5.720 -1.204 6.260 1.00 0.00 N ATOM 144 CA ILE A 9 4.415 -1.696 5.734 1.00 0.00 C ATOM 145 C ILE A 9 4.644 -2.822 4.731 1.00 0.00 C ATOM 146 O ILE A 9 4.082 -3.886 4.847 1.00 0.00 O ATOM 147 CB ILE A 9 3.661 -0.542 5.070 1.00 0.00 C ATOM 148 CG1 ILE A 9 2.178 -0.870 5.054 1.00 0.00 C ATOM 149 CG2 ILE A 9 4.137 -0.314 3.638 1.00 0.00 C ATOM 150 CD1 ILE A 9 1.475 -0.057 6.143 1.00 0.00 C ATOM 0 H ILE A 9 5.901 -0.211 6.113 1.00 0.00 H new ATOM 0 HA ILE A 9 3.819 -2.083 6.560 1.00 0.00 H new ATOM 0 HB ILE A 9 3.851 0.367 5.640 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.752 -0.639 4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.027 -1.936 5.223 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.580 0.513 3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.200 -0.074 3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.971 -1.217 3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.410 -0.287 6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.896 -0.311 7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.618 1.007 5.952 1.00 0.00 H new ATOM 162 N PHE A 10 5.469 -2.602 3.756 1.00 0.00 N ATOM 163 CA PHE A 10 5.740 -3.670 2.762 1.00 0.00 C ATOM 164 C PHE A 10 5.969 -5.040 3.420 1.00 0.00 C ATOM 165 O PHE A 10 5.095 -5.864 3.479 1.00 0.00 O ATOM 166 CB PHE A 10 6.952 -3.288 1.907 1.00 0.00 C ATOM 167 CG PHE A 10 6.587 -3.148 0.462 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.306 -2.788 0.036 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.568 -3.490 -0.464 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.021 -2.781 -1.339 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.291 -3.465 -1.815 1.00 0.00 C ATOM 172 CZ PHE A 10 6.028 -3.120 -2.260 1.00 0.00 C ATOM 0 H PHE A 10 5.970 -1.727 3.602 1.00 0.00 H new ATOM 0 HA PHE A 10 4.855 -3.761 2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.372 -2.349 2.269 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.727 -4.047 2.015 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.546 -2.519 0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.552 -3.777 -0.123 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.033 -2.517 -1.687 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.063 -3.716 -2.528 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.814 -3.111 -3.319 1.00 0.00 H new ATOM 182 N GLU A 11 7.138 -5.301 3.897 1.00 0.00 N ATOM 183 CA GLU A 11 7.419 -6.635 4.523 1.00 0.00 C ATOM 184 C GLU A 11 6.313 -7.034 5.517 1.00 0.00 C ATOM 185 O GLU A 11 6.256 -8.159 5.967 1.00 0.00 O ATOM 186 CB GLU A 11 8.763 -6.579 5.253 1.00 0.00 C ATOM 187 CG GLU A 11 8.636 -5.710 6.504 1.00 0.00 C ATOM 188 CD GLU A 11 9.865 -5.918 7.392 1.00 0.00 C ATOM 189 OE1 GLU A 11 10.871 -5.279 7.136 1.00 0.00 O ATOM 190 OE2 GLU A 11 9.778 -6.716 8.312 1.00 0.00 O ATOM 0 H GLU A 11 7.926 -4.654 3.887 1.00 0.00 H new ATOM 0 HA GLU A 11 7.450 -7.383 3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.080 -7.585 5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.529 -6.173 4.593 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.549 -4.660 6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.730 -5.970 7.051 1.00 0.00 H new ATOM 197 N LYS A 12 5.443 -6.132 5.866 1.00 0.00 N ATOM 198 CA LYS A 12 4.346 -6.466 6.830 1.00 0.00 C ATOM 199 C LYS A 12 3.176 -7.126 6.094 1.00 0.00 C ATOM 200 O LYS A 12 2.783 -8.234 6.394 1.00 0.00 O ATOM 201 CB LYS A 12 3.854 -5.193 7.523 1.00 0.00 C ATOM 202 CG LYS A 12 2.683 -5.537 8.448 1.00 0.00 C ATOM 203 CD LYS A 12 3.185 -6.396 9.612 1.00 0.00 C ATOM 204 CE LYS A 12 2.615 -7.812 9.488 1.00 0.00 C ATOM 205 NZ LYS A 12 1.347 -7.910 10.267 1.00 0.00 N ATOM 0 H LYS A 12 5.439 -5.170 5.526 1.00 0.00 H new ATOM 0 HA LYS A 12 4.738 -7.158 7.575 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.664 -4.742 8.096 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.541 -4.459 6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.225 -4.623 8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.913 -6.073 7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.274 -6.430 9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.883 -5.953 10.561 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.430 -8.050 8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.338 -8.540 9.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.961 -8.872 10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.537 -7.700 11.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.657 -7.226 9.895 1.00 0.00 H new ATOM 219 N TYR A 13 2.609 -6.440 5.138 1.00 0.00 N ATOM 220 CA TYR A 13 1.461 -7.006 4.376 1.00 0.00 C ATOM 221 C TYR A 13 1.970 -7.481 3.016 1.00 0.00 C ATOM 222 O TYR A 13 1.489 -8.453 2.467 1.00 0.00 O ATOM 223 CB TYR A 13 0.385 -5.925 4.212 1.00 0.00 C ATOM 224 CG TYR A 13 0.066 -5.372 5.577 1.00 0.00 C ATOM 225 CD1 TYR A 13 0.829 -4.321 6.094 1.00 0.00 C ATOM 226 CD2 TYR A 13 -0.961 -5.938 6.346 1.00 0.00 C ATOM 227 CE1 TYR A 13 0.567 -3.830 7.375 1.00 0.00 C ATOM 228 CE2 TYR A 13 -1.215 -5.454 7.633 1.00 0.00 C ATOM 229 CZ TYR A 13 -0.449 -4.400 8.147 1.00 0.00 C ATOM 230 OH TYR A 13 -0.679 -3.932 9.422 1.00 0.00 O ATOM 0 H TYR A 13 2.895 -5.504 4.851 1.00 0.00 H new ATOM 0 HA TYR A 13 1.022 -7.851 4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.739 -5.132 3.553 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.510 -6.345 3.753 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.622 -3.888 5.502 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.555 -6.746 5.945 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.149 -3.010 7.769 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.001 -5.892 8.230 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.102 -4.635 9.957 1.00 0.00 H new ATOM 240 N ALA A 14 2.959 -6.818 2.481 1.00 0.00 N ATOM 241 CA ALA A 14 3.518 -7.252 1.172 1.00 0.00 C ATOM 242 C ALA A 14 4.095 -8.665 1.330 1.00 0.00 C ATOM 243 O ALA A 14 4.307 -9.365 0.363 1.00 0.00 O ATOM 244 CB ALA A 14 4.647 -6.286 0.732 1.00 0.00 C ATOM 0 H ALA A 14 3.402 -5.997 2.893 1.00 0.00 H new ATOM 0 HA ALA A 14 2.731 -7.246 0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.051 -6.611 -0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.245 -5.278 0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.440 -6.289 1.479 1.00 0.00 H new ATOM 250 N ASP A 15 4.367 -9.085 2.550 1.00 0.00 N ATOM 251 CA ASP A 15 4.957 -10.430 2.776 1.00 0.00 C ATOM 252 C ASP A 15 3.843 -11.446 2.990 1.00 0.00 C ATOM 253 O ASP A 15 4.041 -12.641 2.901 1.00 0.00 O ATOM 254 CB ASP A 15 5.823 -10.399 4.035 1.00 0.00 C ATOM 255 CG ASP A 15 4.935 -10.221 5.266 1.00 0.00 C ATOM 256 OD1 ASP A 15 3.797 -9.825 5.096 1.00 0.00 O ATOM 257 OD2 ASP A 15 5.411 -10.485 6.359 1.00 0.00 O ATOM 0 H ASP A 15 4.200 -8.542 3.397 1.00 0.00 H new ATOM 0 HA ASP A 15 5.557 -10.706 1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.395 -11.323 4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.543 -9.583 3.973 1.00 0.00 H new ATOM 262 N LYS A 16 2.679 -10.966 3.307 1.00 0.00 N ATOM 263 CA LYS A 16 1.536 -11.868 3.569 1.00 0.00 C ATOM 264 C LYS A 16 1.276 -12.751 2.350 1.00 0.00 C ATOM 265 O LYS A 16 0.911 -13.904 2.469 1.00 0.00 O ATOM 266 CB LYS A 16 0.316 -11.006 3.876 1.00 0.00 C ATOM 267 CG LYS A 16 -0.324 -10.516 2.578 1.00 0.00 C ATOM 268 CD LYS A 16 -1.241 -9.337 2.887 1.00 0.00 C ATOM 269 CE LYS A 16 -2.411 -9.816 3.749 1.00 0.00 C ATOM 270 NZ LYS A 16 -3.697 -9.376 3.139 1.00 0.00 N ATOM 0 H LYS A 16 2.470 -9.972 3.397 1.00 0.00 H new ATOM 0 HA LYS A 16 1.752 -12.521 4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.409 -11.581 4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.609 -10.154 4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.447 -10.216 1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.891 -11.321 2.111 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.686 -8.557 3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.613 -8.899 1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.391 -10.902 3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.320 -9.415 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.451 -10.043 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.940 -8.427 3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.599 -9.350 2.104 1.00 0.00 H new ATOM 284 N GLU A 17 1.467 -12.219 1.180 1.00 0.00 N ATOM 285 CA GLU A 17 1.233 -13.031 -0.048 1.00 0.00 C ATOM 286 C GLU A 17 2.437 -13.944 -0.280 1.00 0.00 C ATOM 287 O GLU A 17 2.356 -14.930 -0.987 1.00 0.00 O ATOM 288 CB GLU A 17 1.051 -12.106 -1.252 1.00 0.00 C ATOM 289 CG GLU A 17 2.340 -11.321 -1.492 1.00 0.00 C ATOM 290 CD GLU A 17 2.087 -10.238 -2.541 1.00 0.00 C ATOM 291 OE1 GLU A 17 1.540 -9.209 -2.182 1.00 0.00 O ATOM 292 OE2 GLU A 17 2.446 -10.456 -3.688 1.00 0.00 O ATOM 0 H GLU A 17 1.774 -11.260 1.017 1.00 0.00 H new ATOM 0 HA GLU A 17 0.333 -13.633 0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.798 -12.690 -2.137 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.223 -11.420 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.682 -10.868 -0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.130 -11.992 -1.829 1.00 0.00 H new ATOM 299 N GLY A 18 3.554 -13.627 0.315 1.00 0.00 N ATOM 300 CA GLY A 18 4.762 -14.481 0.140 1.00 0.00 C ATOM 301 C GLY A 18 5.932 -13.630 -0.353 1.00 0.00 C ATOM 302 O GLY A 18 6.504 -13.894 -1.392 1.00 0.00 O ATOM 0 H GLY A 18 3.682 -12.812 0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.021 -14.958 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.554 -15.278 -0.574 1.00 0.00 H new ATOM 306 N ASP A 19 6.301 -12.619 0.386 1.00 0.00 N ATOM 307 CA ASP A 19 7.444 -11.768 -0.055 1.00 0.00 C ATOM 308 C ASP A 19 7.628 -10.574 0.886 1.00 0.00 C ATOM 309 O ASP A 19 8.460 -10.591 1.771 1.00 0.00 O ATOM 310 CB ASP A 19 7.191 -11.268 -1.482 1.00 0.00 C ATOM 311 CG ASP A 19 8.492 -11.340 -2.288 1.00 0.00 C ATOM 312 OD1 ASP A 19 9.358 -10.513 -2.054 1.00 0.00 O ATOM 313 OD2 ASP A 19 8.598 -12.219 -3.127 1.00 0.00 O ATOM 0 H ASP A 19 5.866 -12.347 1.267 1.00 0.00 H new ATOM 0 HA ASP A 19 8.354 -12.368 -0.032 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.421 -11.874 -1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.821 -10.243 -1.459 1.00 0.00 H new ATOM 318 N GLY A 20 6.894 -9.525 0.670 1.00 0.00 N ATOM 319 CA GLY A 20 7.057 -8.309 1.511 1.00 0.00 C ATOM 320 C GLY A 20 7.604 -7.216 0.608 1.00 0.00 C ATOM 321 O GLY A 20 7.633 -6.052 0.959 1.00 0.00 O ATOM 0 H GLY A 20 6.183 -9.455 -0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.103 -8.009 1.945 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.738 -8.502 2.340 1.00 0.00 H new ATOM 325 N ASN A 21 8.038 -7.590 -0.569 1.00 0.00 N ATOM 326 CA ASN A 21 8.581 -6.595 -1.502 1.00 0.00 C ATOM 327 C ASN A 21 7.517 -6.191 -2.545 1.00 0.00 C ATOM 328 O ASN A 21 7.790 -5.443 -3.462 1.00 0.00 O ATOM 329 CB ASN A 21 9.797 -7.200 -2.197 1.00 0.00 C ATOM 330 CG ASN A 21 11.059 -6.818 -1.430 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.911 -6.121 -1.944 1.00 0.00 O ATOM 332 ND2 ASN A 21 11.213 -7.248 -0.210 1.00 0.00 N ATOM 0 H ASN A 21 8.034 -8.550 -0.913 1.00 0.00 H new ATOM 0 HA ASN A 21 8.870 -5.698 -0.955 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.701 -8.285 -2.244 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.859 -6.841 -3.224 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.051 -7.000 0.316 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.496 -7.833 0.219 1.00 0.00 H new ATOM 339 N GLN A 22 6.305 -6.671 -2.407 1.00 0.00 N ATOM 340 CA GLN A 22 5.216 -6.296 -3.372 1.00 0.00 C ATOM 341 C GLN A 22 3.872 -6.333 -2.634 1.00 0.00 C ATOM 342 O GLN A 22 3.695 -7.069 -1.685 1.00 0.00 O ATOM 343 CB GLN A 22 5.171 -7.254 -4.569 1.00 0.00 C ATOM 344 CG GLN A 22 6.566 -7.816 -4.863 1.00 0.00 C ATOM 345 CD GLN A 22 6.830 -9.037 -3.980 1.00 0.00 C ATOM 346 OE1 GLN A 22 7.688 -9.008 -3.121 1.00 0.00 O ATOM 347 NE2 GLN A 22 6.127 -10.121 -4.162 1.00 0.00 N ATOM 0 H GLN A 22 6.019 -7.310 -1.665 1.00 0.00 H new ATOM 0 HA GLN A 22 5.418 -5.295 -3.754 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.480 -8.071 -4.362 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.792 -6.731 -5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.642 -8.093 -5.914 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.322 -7.052 -4.679 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.406 -10.146 -4.883 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.298 -10.943 -3.583 1.00 0.00 H new ATOM 356 N LEU A 23 2.939 -5.510 -3.033 1.00 0.00 N ATOM 357 CA LEU A 23 1.630 -5.457 -2.321 1.00 0.00 C ATOM 358 C LEU A 23 0.461 -5.884 -3.222 1.00 0.00 C ATOM 359 O LEU A 23 0.642 -6.364 -4.319 1.00 0.00 O ATOM 360 CB LEU A 23 1.422 -4.012 -1.870 1.00 0.00 C ATOM 361 CG LEU A 23 1.819 -3.896 -0.404 1.00 0.00 C ATOM 362 CD1 LEU A 23 1.896 -2.424 -0.006 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.785 -4.606 0.470 1.00 0.00 C ATOM 0 H LEU A 23 3.028 -4.871 -3.823 1.00 0.00 H new ATOM 0 HA LEU A 23 1.651 -6.149 -1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.023 -3.336 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.380 -3.721 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 23 2.794 -4.362 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.180 -2.345 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.640 -1.919 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.923 -1.956 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.074 -4.520 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.192 -4.146 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.735 -5.659 0.192 1.00 0.00 H new ATOM 375 N SER A 24 -0.746 -5.700 -2.743 1.00 0.00 N ATOM 376 CA SER A 24 -1.947 -6.049 -3.501 1.00 0.00 C ATOM 377 C SER A 24 -3.082 -5.189 -2.918 1.00 0.00 C ATOM 378 O SER A 24 -2.973 -4.691 -1.815 1.00 0.00 O ATOM 379 CB SER A 24 -2.255 -7.531 -3.309 1.00 0.00 C ATOM 380 OG SER A 24 -1.276 -8.311 -3.983 1.00 0.00 O ATOM 0 H SER A 24 -0.934 -5.306 -1.821 1.00 0.00 H new ATOM 0 HA SER A 24 -1.824 -5.868 -4.569 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.263 -7.777 -2.247 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.248 -7.760 -3.697 1.00 0.00 H new ATOM 0 HG SER A 24 -0.547 -7.730 -4.286 1.00 0.00 H new ATOM 386 N LYS A 25 -4.158 -4.998 -3.621 1.00 0.00 N ATOM 387 CA LYS A 25 -5.259 -4.163 -3.066 1.00 0.00 C ATOM 388 C LYS A 25 -5.896 -4.888 -1.883 1.00 0.00 C ATOM 389 O LYS A 25 -6.601 -4.301 -1.086 1.00 0.00 O ATOM 390 CB LYS A 25 -6.309 -3.922 -4.143 1.00 0.00 C ATOM 391 CG LYS A 25 -6.813 -2.480 -4.044 1.00 0.00 C ATOM 392 CD LYS A 25 -7.371 -2.044 -5.399 1.00 0.00 C ATOM 393 CE LYS A 25 -8.605 -2.883 -5.730 1.00 0.00 C ATOM 394 NZ LYS A 25 -9.650 -2.014 -6.339 1.00 0.00 N ATOM 0 H LYS A 25 -4.325 -5.381 -4.552 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.858 -3.205 -2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.883 -4.104 -5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.138 -4.619 -4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.586 -2.405 -3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.000 -1.819 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.632 -0.986 -5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.614 -2.168 -6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.338 -3.685 -6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.991 -3.354 -4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.489 -2.586 -6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.912 -1.264 -5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.280 -1.585 -7.211 1.00 0.00 H new ATOM 408 N GLU A 26 -5.649 -6.160 -1.762 1.00 0.00 N ATOM 409 CA GLU A 26 -6.232 -6.926 -0.627 1.00 0.00 C ATOM 410 C GLU A 26 -5.383 -6.703 0.628 1.00 0.00 C ATOM 411 O GLU A 26 -5.590 -7.333 1.646 1.00 0.00 O ATOM 412 CB GLU A 26 -6.257 -8.414 -0.978 1.00 0.00 C ATOM 413 CG GLU A 26 -7.572 -8.749 -1.682 1.00 0.00 C ATOM 414 CD GLU A 26 -8.738 -8.545 -0.712 1.00 0.00 C ATOM 415 OE1 GLU A 26 -8.866 -9.340 0.204 1.00 0.00 O ATOM 416 OE2 GLU A 26 -9.481 -7.595 -0.900 1.00 0.00 O ATOM 0 H GLU A 26 -5.068 -6.704 -2.400 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.249 -6.584 -0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.414 -8.661 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.153 -9.014 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.699 -8.114 -2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.555 -9.780 -2.035 1.00 0.00 H new ATOM 423 N GLU A 27 -4.425 -5.817 0.563 1.00 0.00 N ATOM 424 CA GLU A 27 -3.566 -5.567 1.755 1.00 0.00 C ATOM 425 C GLU A 27 -3.049 -4.128 1.749 1.00 0.00 C ATOM 426 O GLU A 27 -2.072 -3.812 2.397 1.00 0.00 O ATOM 427 CB GLU A 27 -2.380 -6.529 1.734 1.00 0.00 C ATOM 428 CG GLU A 27 -1.945 -6.777 0.289 1.00 0.00 C ATOM 429 CD GLU A 27 -0.671 -7.625 0.276 1.00 0.00 C ATOM 430 OE1 GLU A 27 0.293 -7.217 0.901 1.00 0.00 O ATOM 431 OE2 GLU A 27 -0.683 -8.668 -0.355 1.00 0.00 O ATOM 0 H GLU A 27 -4.201 -5.258 -0.260 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.159 -5.725 2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.552 -6.113 2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.655 -7.471 2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.738 -7.286 -0.258 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.767 -5.828 -0.216 1.00 0.00 H new ATOM 438 N LEU A 28 -3.710 -3.247 1.054 1.00 0.00 N ATOM 439 CA LEU A 28 -3.283 -1.837 1.039 1.00 0.00 C ATOM 440 C LEU A 28 -4.119 -1.140 2.111 1.00 0.00 C ATOM 441 O LEU A 28 -3.638 -0.369 2.913 1.00 0.00 O ATOM 442 CB LEU A 28 -3.551 -1.282 -0.366 1.00 0.00 C ATOM 443 CG LEU A 28 -4.103 0.139 -0.295 1.00 0.00 C ATOM 444 CD1 LEU A 28 -3.034 1.081 0.263 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.514 0.598 -1.698 1.00 0.00 C ATOM 0 H LEU A 28 -4.536 -3.454 0.492 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.224 -1.691 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.628 -1.289 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.260 -1.926 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.973 0.157 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.432 2.095 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.748 0.755 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.160 1.066 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.908 1.613 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.645 0.578 -2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.281 -0.070 -2.089 1.00 0.00 H new ATOM 457 N LYS A 29 -5.373 -1.473 2.141 1.00 0.00 N ATOM 458 CA LYS A 29 -6.295 -0.954 3.133 1.00 0.00 C ATOM 459 C LYS A 29 -5.750 -1.240 4.532 1.00 0.00 C ATOM 460 O LYS A 29 -5.624 -0.358 5.357 1.00 0.00 O ATOM 461 CB LYS A 29 -7.570 -1.721 2.917 1.00 0.00 C ATOM 462 CG LYS A 29 -8.573 -1.210 3.904 1.00 0.00 C ATOM 463 CD LYS A 29 -9.974 -1.530 3.409 1.00 0.00 C ATOM 464 CE LYS A 29 -10.798 -2.173 4.550 1.00 0.00 C ATOM 465 NZ LYS A 29 -12.004 -2.836 3.976 1.00 0.00 N ATOM 0 H LYS A 29 -5.800 -2.118 1.476 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.442 0.122 3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.931 -1.585 1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.404 -2.789 3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.406 -1.668 4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.458 -0.134 4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.464 -0.620 3.062 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.923 -2.209 2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.190 -2.901 5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.096 -1.412 5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.559 -3.269 4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.586 -2.130 3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.708 -3.572 3.304 1.00 0.00 H new ATOM 479 N LEU A 30 -5.420 -2.476 4.798 1.00 0.00 N ATOM 480 CA LEU A 30 -4.876 -2.834 6.135 1.00 0.00 C ATOM 481 C LEU A 30 -3.697 -1.922 6.448 1.00 0.00 C ATOM 482 O LEU A 30 -3.436 -1.592 7.578 1.00 0.00 O ATOM 483 CB LEU A 30 -4.411 -4.293 6.116 1.00 0.00 C ATOM 484 CG LEU A 30 -5.631 -5.216 6.184 1.00 0.00 C ATOM 485 CD1 LEU A 30 -6.162 -5.467 4.771 1.00 0.00 C ATOM 486 CD2 LEU A 30 -5.229 -6.549 6.822 1.00 0.00 C ATOM 0 H LEU A 30 -5.505 -3.253 4.143 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.645 -2.712 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.840 -4.493 5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.748 -4.486 6.959 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.408 -4.745 6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.030 -6.124 4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.450 -4.519 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.385 -5.937 4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.098 -7.206 6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.451 -7.020 6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.852 -6.371 7.829 1.00 0.00 H new ATOM 498 N LEU A 31 -3.006 -1.490 5.446 1.00 0.00 N ATOM 499 CA LEU A 31 -1.846 -0.590 5.667 1.00 0.00 C ATOM 500 C LEU A 31 -2.325 0.663 6.366 1.00 0.00 C ATOM 501 O LEU A 31 -2.016 0.928 7.509 1.00 0.00 O ATOM 502 CB LEU A 31 -1.263 -0.189 4.317 1.00 0.00 C ATOM 503 CG LEU A 31 -0.989 -1.432 3.467 1.00 0.00 C ATOM 504 CD1 LEU A 31 -0.216 -1.029 2.212 1.00 0.00 C ATOM 505 CD2 LEU A 31 -0.162 -2.440 4.269 1.00 0.00 C ATOM 0 H LEU A 31 -3.193 -1.721 4.470 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.094 -1.100 6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.956 0.471 3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.339 0.371 4.464 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.938 -1.889 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.020 -1.913 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.805 -0.317 1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.730 -0.569 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.029 -3.322 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.786 -1.986 4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.711 -2.731 5.164 1.00 0.00 H new ATOM 517 N LEU A 32 -3.086 1.429 5.663 1.00 0.00 N ATOM 518 CA LEU A 32 -3.626 2.676 6.217 1.00 0.00 C ATOM 519 C LEU A 32 -4.119 2.448 7.630 1.00 0.00 C ATOM 520 O LEU A 32 -3.668 3.061 8.567 1.00 0.00 O ATOM 521 CB LEU A 32 -4.811 3.089 5.381 1.00 0.00 C ATOM 522 CG LEU A 32 -4.361 3.369 3.960 1.00 0.00 C ATOM 523 CD1 LEU A 32 -4.512 2.111 3.102 1.00 0.00 C ATOM 524 CD2 LEU A 32 -5.244 4.464 3.415 1.00 0.00 C ATOM 0 H LEU A 32 -3.363 1.236 4.701 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.846 3.438 6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.564 2.301 5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.277 3.978 5.807 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.313 3.669 3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.186 2.324 2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.901 1.311 3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.557 1.801 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.949 4.693 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.283 4.134 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.139 5.357 4.031 1.00 0.00 H new ATOM 536 N GLN A 33 -5.105 1.614 7.752 1.00 0.00 N ATOM 537 CA GLN A 33 -5.739 1.368 9.112 1.00 0.00 C ATOM 538 C GLN A 33 -4.994 0.381 10.018 1.00 0.00 C ATOM 539 O GLN A 33 -5.458 0.107 11.107 1.00 0.00 O ATOM 540 CB GLN A 33 -7.187 0.894 8.923 1.00 0.00 C ATOM 541 CG GLN A 33 -7.219 -0.610 8.628 1.00 0.00 C ATOM 542 CD GLN A 33 -8.672 -1.059 8.438 1.00 0.00 C ATOM 543 OE1 GLN A 33 -9.353 -0.583 7.552 1.00 0.00 O ATOM 544 NE2 GLN A 33 -9.179 -1.962 9.236 1.00 0.00 N ATOM 0 H GLN A 33 -5.513 1.083 6.983 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.690 2.326 9.629 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.767 1.108 9.821 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.653 1.442 8.104 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.639 -0.829 7.732 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.760 -1.163 9.448 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.608 -2.363 9.981 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.145 -2.266 9.114 1.00 0.00 H new ATOM 553 N THR A 34 -3.852 -0.121 9.670 1.00 0.00 N ATOM 554 CA THR A 34 -3.178 -1.011 10.651 1.00 0.00 C ATOM 555 C THR A 34 -2.388 -0.105 11.567 1.00 0.00 C ATOM 556 O THR A 34 -2.397 -0.230 12.775 1.00 0.00 O ATOM 557 CB THR A 34 -2.241 -1.979 9.953 1.00 0.00 C ATOM 558 OG1 THR A 34 -1.585 -1.325 8.876 1.00 0.00 O ATOM 559 CG2 THR A 34 -3.054 -3.161 9.447 1.00 0.00 C ATOM 0 H THR A 34 -3.368 0.035 8.786 1.00 0.00 H new ATOM 0 HA THR A 34 -3.909 -1.607 11.198 1.00 0.00 H new ATOM 0 HB THR A 34 -1.480 -2.333 10.648 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.094 -1.464 8.050 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.394 -3.867 8.942 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.539 -3.656 10.288 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.812 -2.808 8.747 1.00 0.00 H new ATOM 567 N GLU A 35 -1.732 0.835 10.971 1.00 0.00 N ATOM 568 CA GLU A 35 -0.946 1.823 11.744 1.00 0.00 C ATOM 569 C GLU A 35 -1.682 3.167 11.699 1.00 0.00 C ATOM 570 O GLU A 35 -1.327 4.103 12.389 1.00 0.00 O ATOM 571 CB GLU A 35 0.441 1.979 11.117 1.00 0.00 C ATOM 572 CG GLU A 35 1.399 0.941 11.708 1.00 0.00 C ATOM 573 CD GLU A 35 2.154 1.555 12.888 1.00 0.00 C ATOM 574 OE1 GLU A 35 2.965 2.436 12.652 1.00 0.00 O ATOM 575 OE2 GLU A 35 1.909 1.136 14.007 1.00 0.00 O ATOM 0 H GLU A 35 -1.705 0.965 9.960 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.834 1.489 12.775 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.377 1.854 10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.822 2.984 11.300 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.843 0.063 12.036 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.104 0.606 10.947 1.00 0.00 H new ATOM 582 N PHE A 36 -2.706 3.274 10.885 1.00 0.00 N ATOM 583 CA PHE A 36 -3.447 4.553 10.794 1.00 0.00 C ATOM 584 C PHE A 36 -4.910 4.318 10.409 1.00 0.00 C ATOM 585 O PHE A 36 -5.259 4.581 9.283 1.00 0.00 O ATOM 586 CB PHE A 36 -2.814 5.459 9.732 1.00 0.00 C ATOM 587 CG PHE A 36 -1.404 5.019 9.403 1.00 0.00 C ATOM 588 CD1 PHE A 36 -0.361 5.256 10.303 1.00 0.00 C ATOM 589 CD2 PHE A 36 -1.144 4.389 8.182 1.00 0.00 C ATOM 590 CE1 PHE A 36 0.943 4.861 9.979 1.00 0.00 C ATOM 591 CE2 PHE A 36 0.156 3.989 7.859 1.00 0.00 C ATOM 592 CZ PHE A 36 1.202 4.226 8.756 1.00 0.00 C ATOM 0 H PHE A 36 -3.053 2.527 10.284 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.400 5.026 11.775 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.422 5.443 8.828 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.802 6.489 10.090 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.560 5.743 11.246 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.950 4.211 7.486 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.750 5.046 10.672 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.352 3.497 6.918 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.208 3.921 8.507 1.00 0.00 H new ATOM 602 N PRO A 37 -5.725 3.902 11.382 1.00 0.00 N ATOM 603 CA PRO A 37 -7.165 3.699 11.239 1.00 0.00 C ATOM 604 C PRO A 37 -7.633 4.638 10.185 1.00 0.00 C ATOM 605 O PRO A 37 -8.067 5.753 10.388 1.00 0.00 O ATOM 606 CB PRO A 37 -7.721 3.974 12.619 1.00 0.00 C ATOM 607 CG PRO A 37 -6.526 3.769 13.567 1.00 0.00 C ATOM 608 CD PRO A 37 -5.264 3.633 12.697 1.00 0.00 C ATOM 0 HA PRO A 37 -7.482 2.705 10.924 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.116 4.987 12.693 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.539 3.295 12.859 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.431 4.612 14.252 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.669 2.877 14.177 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.491 4.339 13.001 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.832 2.635 12.773 1.00 0.00 H new ATOM 616 N SER A 38 -7.375 4.149 9.057 1.00 0.00 N ATOM 617 CA SER A 38 -7.567 4.868 7.782 1.00 0.00 C ATOM 618 C SER A 38 -8.638 5.915 7.914 1.00 0.00 C ATOM 619 O SER A 38 -9.815 5.654 8.058 1.00 0.00 O ATOM 620 CB SER A 38 -7.957 3.865 6.697 1.00 0.00 C ATOM 621 OG SER A 38 -9.363 3.912 6.490 1.00 0.00 O ATOM 0 H SER A 38 -7.008 3.205 8.936 1.00 0.00 H new ATOM 0 HA SER A 38 -6.635 5.365 7.513 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.434 4.096 5.769 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.656 2.860 6.991 1.00 0.00 H new ATOM 0 HG SER A 38 -9.815 4.066 7.346 1.00 0.00 H new ATOM 627 N LEU A 39 -8.178 7.129 7.842 1.00 0.00 N ATOM 628 CA LEU A 39 -9.064 8.296 7.934 1.00 0.00 C ATOM 629 C LEU A 39 -9.885 8.366 6.643 1.00 0.00 C ATOM 630 O LEU A 39 -10.713 9.233 6.474 1.00 0.00 O ATOM 631 CB LEU A 39 -8.208 9.565 8.111 1.00 0.00 C ATOM 632 CG LEU A 39 -7.000 9.310 9.056 1.00 0.00 C ATOM 633 CD1 LEU A 39 -7.293 8.182 10.058 1.00 0.00 C ATOM 634 CD2 LEU A 39 -5.759 8.931 8.235 1.00 0.00 C ATOM 0 H LEU A 39 -7.192 7.358 7.719 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.737 8.216 8.788 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.846 9.900 7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.825 10.368 8.515 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.820 10.232 9.610 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.426 8.033 10.701 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.155 8.452 10.668 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.506 7.260 9.516 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.919 8.755 8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.963 8.026 7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.513 9.744 7.551 1.00 0.00 H new ATOM 646 N LEU A 40 -9.657 7.429 5.742 1.00 0.00 N ATOM 647 CA LEU A 40 -10.413 7.376 4.462 1.00 0.00 C ATOM 648 C LEU A 40 -11.919 7.515 4.773 1.00 0.00 C ATOM 649 O LEU A 40 -12.382 8.571 5.151 1.00 0.00 O ATOM 650 CB LEU A 40 -10.123 6.012 3.791 1.00 0.00 C ATOM 651 CG LEU A 40 -8.605 5.715 3.718 1.00 0.00 C ATOM 652 CD1 LEU A 40 -8.310 4.912 2.447 1.00 0.00 C ATOM 653 CD2 LEU A 40 -7.803 7.023 3.678 1.00 0.00 C ATOM 0 H LEU A 40 -8.963 6.690 5.852 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.115 8.182 3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.621 5.220 4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.543 6.006 2.785 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.315 5.147 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.242 4.700 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.865 3.974 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.612 5.490 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.738 6.796 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.093 7.601 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.007 7.603 4.578 1.00 0.00 H new ATOM 665 N LYS A 41 -12.678 6.451 4.647 1.00 0.00 N ATOM 666 CA LYS A 41 -14.136 6.502 4.975 1.00 0.00 C ATOM 667 C LYS A 41 -14.734 7.883 4.669 1.00 0.00 C ATOM 668 O LYS A 41 -15.046 8.642 5.566 1.00 0.00 O ATOM 669 CB LYS A 41 -14.319 6.195 6.469 1.00 0.00 C ATOM 670 CG LYS A 41 -13.126 5.378 7.007 1.00 0.00 C ATOM 671 CD LYS A 41 -13.653 4.222 7.860 1.00 0.00 C ATOM 672 CE LYS A 41 -12.876 4.158 9.176 1.00 0.00 C ATOM 673 NZ LYS A 41 -13.409 5.182 10.120 1.00 0.00 N ATOM 0 H LYS A 41 -12.344 5.542 4.328 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.653 5.765 4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.410 7.126 7.028 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.245 5.640 6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.530 4.993 6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.471 6.016 7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.716 4.360 8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.550 3.281 7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.964 3.164 9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.816 4.333 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.880 5.138 11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.303 6.128 9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.415 4.995 10.303 1.00 0.00 H new ATOM 687 N GLY A 42 -14.912 8.215 3.417 1.00 0.00 N ATOM 688 CA GLY A 42 -15.506 9.542 3.078 1.00 0.00 C ATOM 689 C GLY A 42 -14.445 10.452 2.454 1.00 0.00 C ATOM 690 O GLY A 42 -13.474 10.816 3.088 1.00 0.00 O ATOM 0 H GLY A 42 -14.673 7.628 2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -16.336 9.410 2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -15.912 10.007 3.976 1.00 0.00 H new ATOM 694 N MET A 43 -14.628 10.828 1.215 1.00 0.00 N ATOM 695 CA MET A 43 -13.634 11.718 0.547 1.00 0.00 C ATOM 696 C MET A 43 -12.219 11.126 0.647 1.00 0.00 C ATOM 697 O MET A 43 -11.981 10.206 1.402 1.00 0.00 O ATOM 698 CB MET A 43 -13.667 13.107 1.198 1.00 0.00 C ATOM 699 CG MET A 43 -14.343 14.088 0.244 1.00 0.00 C ATOM 700 SD MET A 43 -15.813 14.795 1.024 1.00 0.00 S ATOM 701 CE MET A 43 -15.501 16.517 0.562 1.00 0.00 C ATOM 0 H MET A 43 -15.423 10.557 0.637 1.00 0.00 H new ATOM 0 HA MET A 43 -13.896 11.804 -0.508 1.00 0.00 H new ATOM 0 HB2 MET A 43 -14.209 13.067 2.143 1.00 0.00 H new ATOM 0 HB3 MET A 43 -12.654 13.440 1.425 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.647 14.882 -0.027 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.620 13.578 -0.679 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.302 17.148 0.948 1.00 0.00 H new ATOM 0 HE2 MET A 43 -14.549 16.840 0.984 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.464 16.601 -0.524 1.00 0.00 H new ATOM 711 N SER A 44 -11.271 11.644 -0.111 1.00 0.00 N ATOM 712 CA SER A 44 -9.892 11.106 -0.048 1.00 0.00 C ATOM 713 C SER A 44 -9.897 9.641 -0.490 1.00 0.00 C ATOM 714 O SER A 44 -9.981 8.735 0.317 1.00 0.00 O ATOM 715 CB SER A 44 -9.353 11.226 1.380 1.00 0.00 C ATOM 716 OG SER A 44 -9.795 10.117 2.154 1.00 0.00 O ATOM 0 H SER A 44 -11.406 12.415 -0.765 1.00 0.00 H new ATOM 0 HA SER A 44 -9.247 11.678 -0.715 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.264 11.261 1.366 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.696 12.157 1.832 1.00 0.00 H new ATOM 0 HG SER A 44 -10.548 9.682 1.702 1.00 0.00 H new ATOM 722 N THR A 45 -9.811 9.398 -1.769 1.00 0.00 N ATOM 723 CA THR A 45 -9.815 7.992 -2.258 1.00 0.00 C ATOM 724 C THR A 45 -8.379 7.477 -2.369 1.00 0.00 C ATOM 725 O THR A 45 -7.650 7.832 -3.274 1.00 0.00 O ATOM 726 CB THR A 45 -10.476 7.923 -3.636 1.00 0.00 C ATOM 727 OG1 THR A 45 -10.529 9.224 -4.201 1.00 0.00 O ATOM 728 CG2 THR A 45 -11.891 7.359 -3.503 1.00 0.00 C ATOM 0 H THR A 45 -9.738 10.111 -2.495 1.00 0.00 H new ATOM 0 HA THR A 45 -10.373 7.376 -1.552 1.00 0.00 H new ATOM 0 HB THR A 45 -9.892 7.270 -4.285 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.951 9.180 -5.084 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.358 7.312 -4.487 1.00 0.00 H new ATOM 0 HG22 THR A 45 -11.845 6.358 -3.075 1.00 0.00 H new ATOM 0 HG23 THR A 45 -12.480 8.005 -2.852 1.00 0.00 H new ATOM 736 N LEU A 46 -7.975 6.630 -1.467 1.00 0.00 N ATOM 737 CA LEU A 46 -6.597 6.072 -1.531 1.00 0.00 C ATOM 738 C LEU A 46 -6.643 4.725 -2.255 1.00 0.00 C ATOM 739 O LEU A 46 -5.631 4.094 -2.490 1.00 0.00 O ATOM 740 CB LEU A 46 -6.055 5.878 -0.115 1.00 0.00 C ATOM 741 CG LEU A 46 -4.592 6.321 -0.072 1.00 0.00 C ATOM 742 CD1 LEU A 46 -4.451 7.520 0.865 1.00 0.00 C ATOM 743 CD2 LEU A 46 -3.724 5.169 0.439 1.00 0.00 C ATOM 0 H LEU A 46 -8.541 6.299 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.944 6.759 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.644 6.458 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.140 4.832 0.180 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.268 6.602 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.408 7.837 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.069 8.341 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.775 7.239 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.681 5.485 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.047 4.887 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.824 4.314 -0.229 1.00 0.00 H new ATOM 755 N ASP A 47 -7.820 4.289 -2.614 1.00 0.00 N ATOM 756 CA ASP A 47 -7.969 2.996 -3.332 1.00 0.00 C ATOM 757 C ASP A 47 -7.585 3.177 -4.794 1.00 0.00 C ATOM 758 O ASP A 47 -6.748 2.474 -5.324 1.00 0.00 O ATOM 759 CB ASP A 47 -9.416 2.558 -3.262 1.00 0.00 C ATOM 760 CG ASP A 47 -9.586 1.467 -2.203 1.00 0.00 C ATOM 761 OD1 ASP A 47 -8.632 1.206 -1.490 1.00 0.00 O ATOM 762 OD2 ASP A 47 -10.669 0.911 -2.123 1.00 0.00 O ATOM 0 H ASP A 47 -8.695 4.782 -2.437 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.324 2.248 -2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.051 3.411 -3.021 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.738 2.185 -4.234 1.00 0.00 H new ATOM 767 N GLU A 48 -8.185 4.131 -5.448 1.00 0.00 N ATOM 768 CA GLU A 48 -7.845 4.377 -6.871 1.00 0.00 C ATOM 769 C GLU A 48 -6.465 5.008 -6.921 1.00 0.00 C ATOM 770 O GLU A 48 -5.860 5.146 -7.966 1.00 0.00 O ATOM 771 CB GLU A 48 -8.860 5.323 -7.500 1.00 0.00 C ATOM 772 CG GLU A 48 -9.464 4.640 -8.719 1.00 0.00 C ATOM 773 CD GLU A 48 -10.883 5.162 -8.955 1.00 0.00 C ATOM 774 OE1 GLU A 48 -11.680 5.095 -8.034 1.00 0.00 O ATOM 775 OE2 GLU A 48 -11.150 5.621 -10.054 1.00 0.00 O ATOM 0 H GLU A 48 -8.895 4.749 -5.057 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.860 3.438 -7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.640 5.575 -6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.379 6.258 -7.789 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.846 4.829 -9.597 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.484 3.560 -8.570 1.00 0.00 H new ATOM 782 N LEU A 49 -5.953 5.362 -5.780 1.00 0.00 N ATOM 783 CA LEU A 49 -4.596 5.952 -5.719 1.00 0.00 C ATOM 784 C LEU A 49 -3.607 4.810 -5.877 1.00 0.00 C ATOM 785 O LEU A 49 -2.482 4.978 -6.301 1.00 0.00 O ATOM 786 CB LEU A 49 -4.409 6.607 -4.355 1.00 0.00 C ATOM 787 CG LEU A 49 -3.328 7.688 -4.452 1.00 0.00 C ATOM 788 CD1 LEU A 49 -3.797 8.951 -3.731 1.00 0.00 C ATOM 789 CD2 LEU A 49 -2.038 7.180 -3.803 1.00 0.00 C ATOM 0 H LEU A 49 -6.423 5.266 -4.880 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.448 6.700 -6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.348 7.046 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.124 5.858 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.142 7.919 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.026 9.718 -3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.714 9.315 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.986 8.722 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.269 7.949 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.225 6.947 -2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.700 6.282 -4.320 1.00 0.00 H new ATOM 801 N PHE A 50 -4.054 3.638 -5.540 1.00 0.00 N ATOM 802 CA PHE A 50 -3.201 2.431 -5.653 1.00 0.00 C ATOM 803 C PHE A 50 -3.217 1.953 -7.104 1.00 0.00 C ATOM 804 O PHE A 50 -2.194 1.642 -7.680 1.00 0.00 O ATOM 805 CB PHE A 50 -3.776 1.348 -4.739 1.00 0.00 C ATOM 806 CG PHE A 50 -2.788 0.218 -4.590 1.00 0.00 C ATOM 807 CD1 PHE A 50 -1.697 0.357 -3.724 1.00 0.00 C ATOM 808 CD2 PHE A 50 -2.964 -0.969 -5.311 1.00 0.00 C ATOM 809 CE1 PHE A 50 -0.781 -0.690 -3.579 1.00 0.00 C ATOM 810 CE2 PHE A 50 -2.048 -2.017 -5.166 1.00 0.00 C ATOM 811 CZ PHE A 50 -0.958 -1.879 -4.300 1.00 0.00 C ATOM 0 H PHE A 50 -4.994 3.463 -5.184 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.175 2.652 -5.359 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.007 1.771 -3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.712 0.971 -5.152 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.563 1.273 -3.168 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.806 -1.076 -5.979 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.062 -0.582 -2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.183 -2.933 -5.723 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.253 -2.689 -4.187 1.00 0.00 H new ATOM 821 N GLU A 51 -4.376 1.904 -7.702 1.00 0.00 N ATOM 822 CA GLU A 51 -4.462 1.459 -9.120 1.00 0.00 C ATOM 823 C GLU A 51 -3.752 2.486 -10.001 1.00 0.00 C ATOM 824 O GLU A 51 -3.252 2.172 -11.062 1.00 0.00 O ATOM 825 CB GLU A 51 -5.930 1.349 -9.537 1.00 0.00 C ATOM 826 CG GLU A 51 -6.090 0.211 -10.549 1.00 0.00 C ATOM 827 CD GLU A 51 -6.368 -1.097 -9.807 1.00 0.00 C ATOM 828 OE1 GLU A 51 -6.295 -1.092 -8.590 1.00 0.00 O ATOM 829 OE2 GLU A 51 -6.651 -2.082 -10.469 1.00 0.00 O ATOM 0 H GLU A 51 -5.266 2.153 -7.270 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.988 0.484 -9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.554 1.163 -8.663 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.266 2.289 -9.975 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.907 0.433 -11.235 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.186 0.115 -11.150 1.00 0.00 H new ATOM 836 N GLU A 52 -3.698 3.716 -9.560 1.00 0.00 N ATOM 837 CA GLU A 52 -3.012 4.765 -10.363 1.00 0.00 C ATOM 838 C GLU A 52 -1.516 4.461 -10.393 1.00 0.00 C ATOM 839 O GLU A 52 -0.979 4.030 -11.396 1.00 0.00 O ATOM 840 CB GLU A 52 -3.237 6.135 -9.721 1.00 0.00 C ATOM 841 CG GLU A 52 -2.599 7.214 -10.596 1.00 0.00 C ATOM 842 CD GLU A 52 -3.206 8.576 -10.257 1.00 0.00 C ATOM 843 OE1 GLU A 52 -4.409 8.635 -10.062 1.00 0.00 O ATOM 844 OE2 GLU A 52 -2.459 9.538 -10.197 1.00 0.00 O ATOM 0 H GLU A 52 -4.100 4.037 -8.679 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.413 4.774 -11.376 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.304 6.326 -9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.802 6.157 -8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.521 7.235 -10.436 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.761 6.985 -11.649 1.00 0.00 H new ATOM 851 N LEU A 53 -0.839 4.669 -9.298 1.00 0.00 N ATOM 852 CA LEU A 53 0.620 4.378 -9.265 1.00 0.00 C ATOM 853 C LEU A 53 0.859 2.996 -9.877 1.00 0.00 C ATOM 854 O LEU A 53 1.909 2.717 -10.420 1.00 0.00 O ATOM 855 CB LEU A 53 1.110 4.391 -7.815 1.00 0.00 C ATOM 856 CG LEU A 53 0.273 3.415 -6.985 1.00 0.00 C ATOM 857 CD1 LEU A 53 0.867 2.011 -7.094 1.00 0.00 C ATOM 858 CD2 LEU A 53 0.276 3.856 -5.520 1.00 0.00 C ATOM 0 H LEU A 53 -1.232 5.027 -8.427 1.00 0.00 H new ATOM 0 HA LEU A 53 1.164 5.133 -9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.163 4.111 -7.773 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.031 5.397 -7.402 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.750 3.407 -7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.270 1.317 -6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.864 1.695 -8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.891 2.019 -6.720 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.320 3.160 -4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.299 3.866 -5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.149 4.857 -5.440 1.00 0.00 H new ATOM 870 N ASP A 54 -0.119 2.134 -9.798 1.00 0.00 N ATOM 871 CA ASP A 54 0.030 0.769 -10.379 1.00 0.00 C ATOM 872 C ASP A 54 -0.545 0.764 -11.796 1.00 0.00 C ATOM 873 O ASP A 54 -1.266 1.661 -12.184 1.00 0.00 O ATOM 874 CB ASP A 54 -0.735 -0.239 -9.517 1.00 0.00 C ATOM 875 CG ASP A 54 -0.134 -1.633 -9.704 1.00 0.00 C ATOM 876 OD1 ASP A 54 1.029 -1.711 -10.065 1.00 0.00 O ATOM 877 OD2 ASP A 54 -0.846 -2.597 -9.481 1.00 0.00 O ATOM 0 H ASP A 54 -1.019 2.318 -9.354 1.00 0.00 H new ATOM 0 HA ASP A 54 1.085 0.495 -10.407 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.685 0.052 -8.468 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.789 -0.246 -9.796 1.00 0.00 H new ATOM 882 N LYS A 55 -0.234 -0.234 -12.577 1.00 0.00 N ATOM 883 CA LYS A 55 -0.772 -0.274 -13.967 1.00 0.00 C ATOM 884 C LYS A 55 -0.542 -1.657 -14.586 1.00 0.00 C ATOM 885 O LYS A 55 -0.516 -1.804 -15.791 1.00 0.00 O ATOM 886 CB LYS A 55 -0.056 0.781 -14.812 1.00 0.00 C ATOM 887 CG LYS A 55 1.438 0.757 -14.490 1.00 0.00 C ATOM 888 CD LYS A 55 2.232 1.285 -15.689 1.00 0.00 C ATOM 889 CE LYS A 55 1.580 2.586 -16.214 1.00 0.00 C ATOM 890 NZ LYS A 55 2.432 3.164 -17.293 1.00 0.00 N ATOM 0 H LYS A 55 0.364 -1.018 -12.316 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.843 -0.071 -13.941 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.214 0.583 -15.872 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.468 1.769 -14.607 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.640 1.368 -13.610 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.752 -0.259 -14.252 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.265 1.476 -15.398 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.257 0.535 -16.479 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.581 2.377 -16.596 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.466 3.303 -15.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.996 4.039 -17.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.376 3.377 -16.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.518 2.480 -18.071 1.00 0.00 H new ATOM 904 N ASN A 56 -0.372 -2.675 -13.784 1.00 0.00 N ATOM 905 CA ASN A 56 -0.143 -4.028 -14.356 1.00 0.00 C ATOM 906 C ASN A 56 -1.434 -4.850 -14.297 1.00 0.00 C ATOM 907 O ASN A 56 -1.461 -5.998 -14.696 1.00 0.00 O ATOM 908 CB ASN A 56 0.977 -4.737 -13.584 1.00 0.00 C ATOM 909 CG ASN A 56 0.536 -5.102 -12.158 1.00 0.00 C ATOM 910 OD1 ASN A 56 1.203 -5.871 -11.493 1.00 0.00 O ATOM 911 ND2 ASN A 56 -0.552 -4.594 -11.649 1.00 0.00 N ATOM 0 H ASN A 56 -0.382 -2.626 -12.765 1.00 0.00 H new ATOM 0 HA ASN A 56 0.157 -3.928 -15.399 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.272 -5.641 -14.117 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.855 -4.092 -13.540 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.836 -4.843 -10.701 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.119 -3.948 -12.198 1.00 0.00 H new ATOM 918 N GLY A 57 -2.504 -4.270 -13.814 1.00 0.00 N ATOM 919 CA GLY A 57 -3.795 -5.015 -13.739 1.00 0.00 C ATOM 920 C GLY A 57 -3.532 -6.454 -13.313 1.00 0.00 C ATOM 921 O GLY A 57 -4.088 -7.389 -13.855 1.00 0.00 O ATOM 0 H GLY A 57 -2.538 -3.311 -13.468 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.465 -4.531 -13.028 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.293 -4.998 -14.708 1.00 0.00 H new ATOM 925 N ASP A 58 -2.693 -6.635 -12.340 1.00 0.00 N ATOM 926 CA ASP A 58 -2.391 -8.006 -11.861 1.00 0.00 C ATOM 927 C ASP A 58 -2.823 -8.118 -10.401 1.00 0.00 C ATOM 928 O ASP A 58 -2.761 -9.173 -9.803 1.00 0.00 O ATOM 929 CB ASP A 58 -0.891 -8.274 -11.979 1.00 0.00 C ATOM 930 CG ASP A 58 -0.657 -9.470 -12.904 1.00 0.00 C ATOM 931 OD1 ASP A 58 -1.599 -10.212 -13.130 1.00 0.00 O ATOM 932 OD2 ASP A 58 0.460 -9.623 -13.372 1.00 0.00 O ATOM 0 H ASP A 58 -2.200 -5.887 -11.852 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.928 -8.738 -12.464 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.383 -7.393 -12.371 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.468 -8.474 -10.995 1.00 0.00 H new ATOM 937 N GLY A 59 -3.273 -7.034 -9.823 1.00 0.00 N ATOM 938 CA GLY A 59 -3.717 -7.080 -8.405 1.00 0.00 C ATOM 939 C GLY A 59 -2.525 -6.836 -7.477 1.00 0.00 C ATOM 940 O GLY A 59 -2.687 -6.541 -6.309 1.00 0.00 O ATOM 0 H GLY A 59 -3.351 -6.122 -10.274 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.485 -6.326 -8.231 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.166 -8.049 -8.187 1.00 0.00 H new ATOM 944 N GLU A 60 -1.329 -6.958 -7.984 1.00 0.00 N ATOM 945 CA GLU A 60 -0.131 -6.734 -7.128 1.00 0.00 C ATOM 946 C GLU A 60 0.608 -5.486 -7.593 1.00 0.00 C ATOM 947 O GLU A 60 0.588 -5.130 -8.754 1.00 0.00 O ATOM 948 CB GLU A 60 0.808 -7.936 -7.233 1.00 0.00 C ATOM 949 CG GLU A 60 2.150 -7.619 -6.561 1.00 0.00 C ATOM 950 CD GLU A 60 3.190 -8.658 -6.986 1.00 0.00 C ATOM 951 OE1 GLU A 60 3.806 -8.460 -8.020 1.00 0.00 O ATOM 952 OE2 GLU A 60 3.354 -9.631 -6.269 1.00 0.00 O ATOM 0 H GLU A 60 -1.130 -7.203 -8.954 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.452 -6.606 -6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.352 -8.806 -6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.969 -8.191 -8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.483 -6.620 -6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.037 -7.624 -5.477 1.00 0.00 H new ATOM 959 N VAL A 61 1.280 -4.838 -6.694 1.00 0.00 N ATOM 960 CA VAL A 61 2.051 -3.634 -7.063 1.00 0.00 C ATOM 961 C VAL A 61 3.506 -3.902 -6.683 1.00 0.00 C ATOM 962 O VAL A 61 3.897 -5.033 -6.476 1.00 0.00 O ATOM 963 CB VAL A 61 1.488 -2.416 -6.308 1.00 0.00 C ATOM 964 CG1 VAL A 61 2.084 -2.333 -4.900 1.00 0.00 C ATOM 965 CG2 VAL A 61 1.817 -1.135 -7.080 1.00 0.00 C ATOM 0 H VAL A 61 1.327 -5.096 -5.708 1.00 0.00 H new ATOM 0 HA VAL A 61 1.981 -3.419 -8.129 1.00 0.00 H new ATOM 0 HB VAL A 61 0.407 -2.527 -6.224 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.674 -1.466 -4.382 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.835 -3.238 -4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.167 -2.236 -4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.417 -0.274 -6.544 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.898 -1.034 -7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.370 -1.183 -8.073 1.00 0.00 H new ATOM 975 N SER A 62 4.308 -2.895 -6.577 1.00 0.00 N ATOM 976 CA SER A 62 5.722 -3.135 -6.200 1.00 0.00 C ATOM 977 C SER A 62 6.233 -1.929 -5.409 1.00 0.00 C ATOM 978 O SER A 62 5.596 -0.896 -5.353 1.00 0.00 O ATOM 979 CB SER A 62 6.561 -3.348 -7.466 1.00 0.00 C ATOM 980 OG SER A 62 6.366 -2.253 -8.356 1.00 0.00 O ATOM 0 H SER A 62 4.053 -1.920 -6.733 1.00 0.00 H new ATOM 0 HA SER A 62 5.802 -4.028 -5.580 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.616 -3.435 -7.205 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.275 -4.281 -7.952 1.00 0.00 H new ATOM 0 HG SER A 62 6.904 -2.389 -9.164 1.00 0.00 H new ATOM 986 N PHE A 63 7.371 -2.053 -4.790 1.00 0.00 N ATOM 987 CA PHE A 63 7.919 -0.921 -3.993 1.00 0.00 C ATOM 988 C PHE A 63 8.280 0.228 -4.944 1.00 0.00 C ATOM 989 O PHE A 63 8.482 1.352 -4.527 1.00 0.00 O ATOM 990 CB PHE A 63 9.166 -1.412 -3.257 1.00 0.00 C ATOM 991 CG PHE A 63 9.428 -0.603 -1.999 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.443 -0.481 -1.006 1.00 0.00 C ATOM 993 CD2 PHE A 63 10.671 0.012 -1.819 1.00 0.00 C ATOM 994 CE1 PHE A 63 8.704 0.256 0.156 1.00 0.00 C ATOM 995 CE2 PHE A 63 10.931 0.750 -0.657 1.00 0.00 C ATOM 996 CZ PHE A 63 9.946 0.872 0.331 1.00 0.00 C ATOM 0 H PHE A 63 7.949 -2.893 -4.801 1.00 0.00 H new ATOM 0 HA PHE A 63 7.186 -0.564 -3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.044 -2.463 -2.995 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.029 -1.346 -3.919 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.482 -0.956 -1.138 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.433 -0.082 -2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.944 0.348 0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.892 1.225 -0.523 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.146 1.441 1.227 1.00 0.00 H new ATOM 1006 N GLU A 64 8.352 -0.045 -6.223 1.00 0.00 N ATOM 1007 CA GLU A 64 8.686 1.029 -7.203 1.00 0.00 C ATOM 1008 C GLU A 64 7.475 1.950 -7.364 1.00 0.00 C ATOM 1009 O GLU A 64 7.606 3.137 -7.583 1.00 0.00 O ATOM 1010 CB GLU A 64 9.037 0.403 -8.555 1.00 0.00 C ATOM 1011 CG GLU A 64 9.781 1.427 -9.416 1.00 0.00 C ATOM 1012 CD GLU A 64 11.248 1.486 -8.986 1.00 0.00 C ATOM 1013 OE1 GLU A 64 11.884 0.446 -8.973 1.00 0.00 O ATOM 1014 OE2 GLU A 64 11.710 2.572 -8.677 1.00 0.00 O ATOM 0 H GLU A 64 8.193 -0.967 -6.629 1.00 0.00 H new ATOM 0 HA GLU A 64 9.540 1.602 -6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.656 -0.482 -8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.129 0.076 -9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.710 1.153 -10.469 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.320 2.409 -9.311 1.00 0.00 H new ATOM 1021 N GLU A 65 6.297 1.408 -7.227 1.00 0.00 N ATOM 1022 CA GLU A 65 5.064 2.241 -7.338 1.00 0.00 C ATOM 1023 C GLU A 65 4.576 2.543 -5.923 1.00 0.00 C ATOM 1024 O GLU A 65 3.730 3.385 -5.703 1.00 0.00 O ATOM 1025 CB GLU A 65 3.978 1.474 -8.101 1.00 0.00 C ATOM 1026 CG GLU A 65 4.626 0.519 -9.106 1.00 0.00 C ATOM 1027 CD GLU A 65 5.172 1.316 -10.291 1.00 0.00 C ATOM 1028 OE1 GLU A 65 4.758 2.451 -10.460 1.00 0.00 O ATOM 1029 OE2 GLU A 65 5.996 0.778 -11.012 1.00 0.00 O ATOM 0 H GLU A 65 6.133 0.418 -7.042 1.00 0.00 H new ATOM 0 HA GLU A 65 5.280 3.163 -7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.356 0.914 -7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.323 2.173 -8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.431 -0.038 -8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.895 -0.212 -9.452 1.00 0.00 H new ATOM 1036 N PHE A 66 5.130 1.854 -4.964 1.00 0.00 N ATOM 1037 CA PHE A 66 4.749 2.065 -3.543 1.00 0.00 C ATOM 1038 C PHE A 66 5.480 3.302 -3.004 1.00 0.00 C ATOM 1039 O PHE A 66 5.427 3.604 -1.829 1.00 0.00 O ATOM 1040 CB PHE A 66 5.183 0.825 -2.763 1.00 0.00 C ATOM 1041 CG PHE A 66 4.414 0.713 -1.470 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.050 0.412 -1.505 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.054 0.921 -0.243 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.318 0.328 -0.319 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.324 0.832 0.945 1.00 0.00 C ATOM 1046 CZ PHE A 66 2.953 0.539 0.908 1.00 0.00 C ATOM 0 H PHE A 66 5.844 1.141 -5.110 1.00 0.00 H new ATOM 0 HA PHE A 66 3.675 2.221 -3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.019 -0.067 -3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.251 0.876 -2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.560 0.244 -2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.109 1.150 -0.214 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.263 0.100 -0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.816 0.989 1.893 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.389 0.476 1.827 1.00 0.00 H new ATOM 1056 N GLN A 67 6.155 4.021 -3.864 1.00 0.00 N ATOM 1057 CA GLN A 67 6.888 5.245 -3.415 1.00 0.00 C ATOM 1058 C GLN A 67 5.906 6.397 -3.330 1.00 0.00 C ATOM 1059 O GLN A 67 5.919 7.182 -2.405 1.00 0.00 O ATOM 1060 CB GLN A 67 8.009 5.595 -4.397 1.00 0.00 C ATOM 1061 CG GLN A 67 8.923 4.384 -4.606 1.00 0.00 C ATOM 1062 CD GLN A 67 9.863 4.206 -3.395 1.00 0.00 C ATOM 1063 OE1 GLN A 67 10.684 5.064 -3.136 1.00 0.00 O ATOM 1064 NE2 GLN A 67 9.792 3.131 -2.635 1.00 0.00 N ATOM 0 H GLN A 67 6.231 3.814 -4.860 1.00 0.00 H new ATOM 0 HA GLN A 67 7.335 5.057 -2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.583 5.908 -5.350 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.588 6.436 -4.015 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.321 3.485 -4.743 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.511 4.516 -5.515 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.107 2.404 -2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.422 3.026 -1.840 1.00 0.00 H new ATOM 1073 N VAL A 68 5.042 6.498 -4.280 1.00 0.00 N ATOM 1074 CA VAL A 68 4.041 7.592 -4.228 1.00 0.00 C ATOM 1075 C VAL A 68 3.402 7.565 -2.839 1.00 0.00 C ATOM 1076 O VAL A 68 2.941 8.565 -2.326 1.00 0.00 O ATOM 1077 CB VAL A 68 2.978 7.369 -5.298 1.00 0.00 C ATOM 1078 CG1 VAL A 68 2.315 8.702 -5.632 1.00 0.00 C ATOM 1079 CG2 VAL A 68 3.640 6.797 -6.553 1.00 0.00 C ATOM 0 H VAL A 68 4.979 5.879 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 68 4.513 8.557 -4.412 1.00 0.00 H new ATOM 0 HB VAL A 68 2.226 6.670 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.554 8.548 -6.397 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.851 9.112 -4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.066 9.399 -6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.884 6.636 -7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.388 7.499 -6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.120 5.849 -6.311 1.00 0.00 H new ATOM 1089 N LEU A 69 3.401 6.411 -2.222 1.00 0.00 N ATOM 1090 CA LEU A 69 2.828 6.272 -0.850 1.00 0.00 C ATOM 1091 C LEU A 69 3.927 6.567 0.152 1.00 0.00 C ATOM 1092 O LEU A 69 3.675 7.061 1.225 1.00 0.00 O ATOM 1093 CB LEU A 69 2.384 4.821 -0.628 1.00 0.00 C ATOM 1094 CG LEU A 69 0.905 4.698 -0.202 1.00 0.00 C ATOM 1095 CD1 LEU A 69 0.834 4.488 1.307 1.00 0.00 C ATOM 1096 CD2 LEU A 69 0.099 5.946 -0.568 1.00 0.00 C ATOM 0 H LEU A 69 3.778 5.549 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 69 1.983 6.951 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.539 4.255 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.015 4.367 0.136 1.00 0.00 H new ATOM 0 HG LEU A 69 0.474 3.849 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.208 4.400 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.368 3.576 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.291 5.337 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.936 5.817 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.526 6.815 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.131 6.096 -1.647 1.00 0.00 H new ATOM 1108 N VAL A 70 5.146 6.246 -0.179 1.00 0.00 N ATOM 1109 CA VAL A 70 6.240 6.517 0.778 1.00 0.00 C ATOM 1110 C VAL A 70 6.182 7.998 1.137 1.00 0.00 C ATOM 1111 O VAL A 70 6.334 8.379 2.275 1.00 0.00 O ATOM 1112 CB VAL A 70 7.604 6.148 0.162 1.00 0.00 C ATOM 1113 CG1 VAL A 70 8.182 7.318 -0.644 1.00 0.00 C ATOM 1114 CG2 VAL A 70 8.578 5.788 1.284 1.00 0.00 C ATOM 0 H VAL A 70 5.425 5.814 -1.060 1.00 0.00 H new ATOM 0 HA VAL A 70 6.122 5.910 1.676 1.00 0.00 H new ATOM 0 HB VAL A 70 7.461 5.301 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.144 7.029 -1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.496 7.579 -1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.317 8.179 0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.545 5.526 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.696 6.642 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.188 4.939 1.846 1.00 0.00 H new ATOM 1124 N LYS A 71 5.899 8.836 0.176 1.00 0.00 N ATOM 1125 CA LYS A 71 5.782 10.294 0.462 1.00 0.00 C ATOM 1126 C LYS A 71 4.398 10.576 1.061 1.00 0.00 C ATOM 1127 O LYS A 71 3.847 11.647 0.909 1.00 0.00 O ATOM 1128 CB LYS A 71 5.951 11.081 -0.840 1.00 0.00 C ATOM 1129 CG LYS A 71 4.943 10.574 -1.872 1.00 0.00 C ATOM 1130 CD LYS A 71 4.974 11.475 -3.109 1.00 0.00 C ATOM 1131 CE LYS A 71 3.640 12.213 -3.233 1.00 0.00 C ATOM 1132 NZ LYS A 71 3.893 13.677 -3.346 1.00 0.00 N ATOM 0 H LYS A 71 5.744 8.572 -0.797 1.00 0.00 H new ATOM 0 HA LYS A 71 6.555 10.598 1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.798 12.145 -0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.966 10.965 -1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.180 9.547 -2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.941 10.564 -1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.792 12.191 -3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.157 10.878 -4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.096 11.858 -4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.015 12.007 -2.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.987 14.180 -3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.396 14.009 -2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.473 13.865 -4.188 1.00 0.00 H new ATOM 1146 N LYS A 72 3.842 9.612 1.745 1.00 0.00 N ATOM 1147 CA LYS A 72 2.509 9.776 2.369 1.00 0.00 C ATOM 1148 C LYS A 72 2.560 9.226 3.798 1.00 0.00 C ATOM 1149 O LYS A 72 1.539 8.999 4.416 1.00 0.00 O ATOM 1150 CB LYS A 72 1.469 8.989 1.568 1.00 0.00 C ATOM 1151 CG LYS A 72 1.228 9.686 0.230 1.00 0.00 C ATOM 1152 CD LYS A 72 0.899 11.158 0.480 1.00 0.00 C ATOM 1153 CE LYS A 72 0.036 11.693 -0.665 1.00 0.00 C ATOM 1154 NZ LYS A 72 -1.390 11.327 -0.430 1.00 0.00 N ATOM 0 H LYS A 72 4.271 8.699 1.897 1.00 0.00 H new ATOM 0 HA LYS A 72 2.237 10.831 2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.816 7.969 1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.537 8.921 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.112 9.601 -0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.408 9.203 -0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.372 11.267 1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.818 11.738 0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.137 12.776 -0.735 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.376 11.279 -1.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.975 11.691 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.480 10.292 -0.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.712 11.742 0.468 1.00 0.00 H new ATOM 1168 N ILE A 73 3.741 8.988 4.329 1.00 0.00 N ATOM 1169 CA ILE A 73 3.828 8.428 5.710 1.00 0.00 C ATOM 1170 C ILE A 73 4.383 9.423 6.675 1.00 0.00 C ATOM 1171 O ILE A 73 3.929 9.556 7.795 1.00 0.00 O ATOM 1172 CB ILE A 73 4.857 7.309 5.776 1.00 0.00 C ATOM 1173 CG1 ILE A 73 5.000 6.630 4.437 1.00 0.00 C ATOM 1174 CG2 ILE A 73 4.473 6.329 6.866 1.00 0.00 C ATOM 1175 CD1 ILE A 73 3.789 5.740 4.158 1.00 0.00 C ATOM 0 H ILE A 73 4.635 9.157 3.868 1.00 0.00 H new ATOM 0 HA ILE A 73 2.813 8.114 5.952 1.00 0.00 H new ATOM 0 HB ILE A 73 5.831 7.731 6.023 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.097 7.379 3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.911 6.031 4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.211 5.528 6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.439 6.846 7.825 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.492 5.907 6.647 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.908 5.257 3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.710 4.979 4.935 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.884 6.348 4.152 1.00 0.00 H new ATOM 1187 N SER A 74 5.469 10.007 6.293 1.00 0.00 N ATOM 1188 CA SER A 74 6.182 10.863 7.226 1.00 0.00 C ATOM 1189 C SER A 74 5.208 11.719 8.049 1.00 0.00 C ATOM 1190 O SER A 74 5.292 11.779 9.260 1.00 0.00 O ATOM 1191 CB SER A 74 7.173 11.754 6.476 1.00 0.00 C ATOM 1192 OG SER A 74 6.704 13.098 6.485 1.00 0.00 O ATOM 0 H SER A 74 5.888 9.921 5.367 1.00 0.00 H new ATOM 0 HA SER A 74 6.734 10.225 7.917 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.156 11.697 6.944 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.288 11.405 5.450 1.00 0.00 H new ATOM 0 HG SER A 74 7.340 13.670 6.006 1.00 0.00 H new ATOM 1198 N GLN A 75 4.289 12.380 7.403 1.00 0.00 N ATOM 1199 CA GLN A 75 3.317 13.227 8.153 1.00 0.00 C ATOM 1200 C GLN A 75 2.448 14.000 7.160 1.00 0.00 C ATOM 1201 O GLN A 75 1.253 14.087 7.391 1.00 0.00 O ATOM 1202 CB GLN A 75 4.080 14.215 9.039 1.00 0.00 C ATOM 1203 CG GLN A 75 3.457 14.243 10.437 1.00 0.00 C ATOM 1204 CD GLN A 75 3.488 12.838 11.041 1.00 0.00 C ATOM 1205 OE1 GLN A 75 2.582 12.057 10.836 1.00 0.00 O ATOM 1206 NE2 GLN A 75 4.503 12.484 11.782 1.00 0.00 N ATOM 1207 OXT GLN A 75 2.993 14.494 6.187 1.00 0.00 O ATOM 0 H GLN A 75 4.168 12.371 6.390 1.00 0.00 H new ATOM 0 HA GLN A 75 2.685 12.594 8.776 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.129 13.925 9.104 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.051 15.211 8.598 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.004 14.937 11.076 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.430 14.603 10.381 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.264 13.142 11.953 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.535 11.550 12.190 1.00 0.00 H new TER 1216 GLN A 75